     183
 i =        1, E =    -21649.9597644190
 Pt        -0.0002416300        0.0005827592        2.2733840333
 Pt         0.0008351345        0.0001130426        9.1059030198
 Pt         1.3877723861        0.8005147506       -0.0440820277
 Pt         1.3867193409        0.8009594797        6.7877213342
 Pt         0.0003108800        1.6014213125        4.5309401616
 Pt         2.7741808280        0.0000095137        2.2725399396
 Pt         2.7746374268        0.0003235404        9.1061719352
 Pt         4.1622938259        0.8006659220       -0.0465845492
 Pt         4.1616469887        0.8023399489        6.7889509847
 Pt         2.7755079992        1.6015469397        4.5303654035
 Pt         5.5495196173        0.0002151896        2.2726017340
 Pt         5.5494719437        0.0001149476        9.1048706256
 Pt         6.9361353089        0.8000248818       -0.0459258307
 Pt         6.9371557730        0.8017926422        6.7888159865
 Pt         5.5495380734        1.5989000597        4.5288983304
 Pt         8.3243482326        0.0002322696        2.2726278351
 Pt         8.3236633297        0.0002269998        9.1065401393
 Pt         9.7109994889        0.8002160755       -0.0443386227
 Pt         9.7117937081        0.8008556123        6.7875442938
 Pt         8.3229864249        1.6015511404        4.5306094814
 Pt        11.0986117224        0.0005447367        2.2736194704
 Pt        11.0976612228       -0.0000730093        9.1058396281
 Pt        12.4863919704        0.8007637637       -0.0437374829
 Pt        12.4855860747        0.8006020812        6.7880898290
 Pt        11.0983971756        1.6017124283        4.5310766869
 Pt        13.8732401690        0.0003385925        2.2742794265
 Pt        13.8733250312       -0.0010344387        9.1055058083
 Pt        15.2596434268        0.8006333604       -0.0441256851
 Pt        15.2603821605        0.8005604919        6.7877800821
 Pt        13.8733303535        1.6036966645        4.5310587800
 Pt        -1.3877116110        2.4028286520        2.2733556995
 Pt        -1.3875053294        2.4030807478        9.1054538307
 Pt        -0.0007869835        3.2041282254       -0.0438173087
 Pt         0.0000674036        3.2042251927        6.7896117365
 Pt        -1.3877813150        4.0049041082        4.5307310629
 Pt         1.3876173174        2.4027743935        2.2740778078
 Pt         1.3875624278        2.4033587104        9.1067725392
 Pt         2.7742488672        3.2044142851       -0.0442954984
 Pt         2.7741844398        3.2029395786        6.7874713850
 Pt         1.3878470533        4.0049761842        4.5309960612
 Pt         4.1607870425        2.4006260074        2.2735433235
 Pt         4.1620771173        2.4015582656        9.1072009272
 Pt         5.5494836194        3.2052132383       -0.0418004741
 Pt         5.5497583859        3.2000371930        6.7810857325
 Pt         4.1616957915        4.0087641023        4.5308111067
 Pt         6.9375699091        2.4013522205        2.2733688482
 Pt         6.9363853084        2.4023113641        9.1070451821
 Pt         8.3240549486        3.2043538896       -0.0447312948
 Pt         8.3235118720        3.2041521257        6.7881341889
 Pt         6.9368358140        4.0069898312        4.5300929598
 Pt         9.7110853315        2.4027932322        2.2739546133
 Pt         9.7111973833        2.4031975137        9.1063522621
 Pt        11.0990467777        3.2042270163       -0.0438671303
 Pt        11.0986238526        3.2042589662        6.7896337032
 Pt         9.7107534671        4.0046782510        4.5308352467
 Pt        12.4857728042        2.4029649923        2.2733800410
 Pt        12.4856861037        2.4032230352        9.1054257307
 Pt        13.8730089591        3.2040399562       -0.0449627252
 Pt        13.8731770093        3.2039246860        6.7884027069
 Pt        12.4855791655        4.0046174753        4.5308904321
 Pt        -2.7746866323        4.8058560164        2.2734706386
 Pt        -2.7747560238        4.8055475709        9.1052409506
 Pt        -1.3871506850        5.6068975271       -0.0446141493
 Pt        -1.3870220129        5.6072320399        6.7882347212
 Pt        -2.7747478410        6.4079300050        4.5307038508
 Pt        -0.0002445619        4.8059924287        2.2736926457
 Pt         0.0011612195        4.8062224011        9.1071043053
 Pt         1.3878440216        5.6074193790       -0.0465648983
 Pt         1.3876188783        5.6063707635        6.7874396266
 Pt        -0.0009091997        6.4082714238        4.5297575427
 Pt         2.7748339909        4.8052240198        2.2734954877
 Pt         2.7727512317        4.8023981232        9.1084658969
 Pt         4.1625468825        5.6074018088       -0.0442026092
 Pt         4.1631208742        5.6042724503        6.7884970009
 Pt         2.7735462486        6.4092132930        4.5308350203
 Pt         5.5494558070        4.8053371275        2.2746875055
 Pt         5.5464024159        4.7844959190        9.0945381195
 Pt         6.9359287030        5.6074053744       -0.0443901138
 Pt         6.9354393143        5.6020499449        6.7845160945
 Pt         5.5494867625        6.4099196524        4.5331866871
 Pt         8.3236117844        4.8052737124        2.2738438514
 Pt         8.3254792234        4.8013717159        9.1073450506
 Pt         9.7107808573        5.6075536776       -0.0468536776
 Pt         9.7113157574        5.6066600977        6.7869819304
 Pt         8.3252083945        6.4093872079        4.5305604193
 Pt        11.0989359633        4.8059673362        2.2736776204
 Pt        11.0973795649        4.8065258295        9.1067497807
 Pt        12.4858549307        5.6068798108       -0.0444274070
 Pt        12.4852717522        5.6071631486        6.7879300652
 Pt        11.0995909778        6.4083573343        4.5298646938
 Pt        -4.1619100153        7.2087590442        2.2741234864
 Pt        -4.1623764742        7.2082869995        9.1061008370
 Pt        -2.7749242540        8.0105575812       -0.0428807743
 Pt        -2.7747387154        8.0100747683        6.7899138603
 Pt        -4.1625923418        8.8102979583        4.5307050263
 Pt        -1.3882033755        7.2089232112        2.2737612656
 Pt        -1.3874094158        7.2083074993        9.1064238158
 Pt         0.0002859253        8.0084547967       -0.0431212202
 Pt        -0.0000924114        8.0097622552        6.7880317846
 Pt        -1.3867358057        8.8104607899        4.5308263360
 Pt         1.3871870745        7.2091087811        2.2729276428
 Pt         1.3773443882        7.2083771294        9.1063617005
 Pt         2.7748010972        8.0099613689       -0.0432070815
 Pt         2.7785030467        8.0059848588        6.7938561981
 Pt         1.3920694886        8.8080195763        4.5331294516
 Pt         4.1620447592        7.2086302684        2.2739911806
 Pt         4.1409035634        7.2203789337        9.0711310489
 Pt         5.5493998246        8.0104472797       -0.0453359982
 Pt         5.5484337838        8.0158674433        6.7752121761
 Pt         4.1606449313        8.8113547022        4.5271061811
 Pt         6.9368058459        7.2087619838        2.2741202854
 Pt         6.9691238058        7.2145863435        9.0640436351
 Pt         8.3237035251        8.0096658017       -0.0432443805
 Pt         8.3187657557        8.0051083114        6.7941616371
 Pt         6.9359267363        8.8106562968        4.5283624502
 Pt         9.7112335583        7.2088885168        2.2728920364
 Pt         9.7224208636        7.2087588792        9.1082184153
 Pt        11.0985778225        8.0087785906       -0.0430317408
 Pt        11.0982142927        8.0095261645        6.7884761297
 Pt         9.7068788662        8.8082919675        4.5340565047
 Pt        -5.5475145300        9.6127345717        2.2727665943
 Pt        -5.5502787665        9.6117066878        9.1069866183
 Pt        -4.1627392886       10.4120054803       -0.0466236094
 Pt        -4.1623874389       10.4115830782        6.7880147890
 Pt        -5.5492398500       11.2127473680        4.5301235725
 Pt        -2.7744808810        9.6117287314        2.2730732425
 Pt        -2.7745061449        9.6117570755        9.1060010050
 Pt        -1.3867278786       10.4122310509       -0.0466033846
 Pt        -1.3872749289       10.4117083478        6.7882493555
 Pt        -2.7744751131       11.2142309884        4.5302539436
 Pt        -0.0022647138        9.6128075317        2.2725828060
 Pt         0.0008041611        9.6118575310        9.1069638334
 Pt         1.3875871917       10.4135889156       -0.0436541368
 Pt         1.3868235733       10.4137453697        6.7872772604
 Pt        -0.0002522909       11.2125855541        4.5303174254
 Pt         2.7752202481        9.6107592262        2.2732036652
 Pt         2.7713753972        9.6179492306        9.1052512751
 Pt         4.1617111253       10.4118593544       -0.0447405806
 Pt         4.1605244878       10.4111890533        6.7872211839
 Pt         2.7754066546       11.2141068254        4.5316986428
 Pt         5.5496557340        9.6119317219        2.2732940188
 Pt         5.5496203416        9.6270824320        9.0895725688
 Pt         6.9366238013       10.4119275995       -0.0445133062
 Pt         6.9379552661       10.4113592599        6.7871696696
 Pt         5.5493203793       11.2129257770        4.5318273470
 Pt         8.3234424627        9.6108217579        2.2733295369
 Pt         8.3272041083        9.6187687252        9.1069797983
 Pt         9.7112112666       10.4136089836       -0.0444389334
 Pt         9.7118109541       10.4134161129        6.7876408925
 Pt         8.3232500743       11.2139615312        4.5316463057
 Pt        -6.9361676641       12.0149684208        2.2741462645
 Pt        -6.9373726542       12.0145924041        9.1066079737
 Pt        -5.5493610364       12.8152401901       -0.0431505980
 Pt        -5.5484916740       12.8167717004        6.7890361269
 Pt        -6.9360207381       13.6155427870        4.5307729059
 Pt        -4.1611477605       12.0145263675        2.2736484183
 Pt        -4.1622027165       12.0149156378        9.1055741901
 Pt        -2.7745658145       12.8167804383       -0.0419892975
 Pt        -2.7746345170       12.8159123203        6.7874277575
 Pt        -4.1619310134       13.6163923133        4.5310357522
 Pt        -1.3882400603       12.0145693068        2.2737817774
 Pt        -1.3872348516       12.0149267254        9.1054975931
 Pt        -0.0004630729       12.8152522481       -0.0435522276
 Pt        -0.0008281322       12.8168001094        6.7890783897
 Pt        -1.3878435184       13.6162236142        4.5310250836
 Pt         1.3871179257       12.0150448769        2.2738383383
 Pt         1.3882286182       12.0144664337        9.1069133280
 Pt         2.7742499498       12.8162883471       -0.0449301438
 Pt         2.7743328903       12.8157127523        6.7888543206
 Pt         1.3869341645       13.6153435770        4.5303686195
 Pt         4.1616495424       12.0145210044        2.2731356252
 Pt         4.1612993585       12.0157605461        9.1064023524
 Pt         5.5493950693       12.8156353886       -0.0451274065
 Pt         5.5494797010       12.8155823840        6.7893098017
 Pt         4.1616656960       13.6163138077        4.5298640842
 Pt         6.9366155894       12.0145537340        2.2732885825
 Pt         6.9371267675       12.0153887994        9.1065675619
 Pt         8.3242930753       12.8164207484       -0.0447803651
 Pt         8.3241277008       12.8161292957        6.7889653763
 Pt         6.9366405566       13.6161090500        4.5298631635
  O         5.5562986252        7.1896504382       11.4140178338
  H         6.5410212396        6.8619409174       11.2488644483
  H         5.0512567902        6.2885816255       11.2535220895
     183
 i =        2, E =    -21649.9864677120
 Pt        -0.0005679026        0.0007657628        2.2473553234
 Pt         0.0017677913        0.0016302975        9.1388715595
 Pt         1.3883233917        0.8004290210       -0.0765971880
 Pt         1.3864446712        0.8013931475        6.8136110134
 Pt         0.0011224291        1.6012639565        4.5314847844
 Pt         2.7739994949        0.0001785281        2.2457448795
 Pt         2.7734276811       -0.0000370653        9.1392668002
 Pt         4.1628709551        0.8008743378       -0.0822351622
 Pt         4.1613176499        0.8013623758        6.8148650763
 Pt         2.7759974052        1.6022489349        4.5297845965
 Pt         5.5492486759        0.0007550804        2.2457382975
 Pt         5.5496427305       -0.0022409691        9.1363784976
 Pt         6.9354222929        0.8001613894       -0.0808052321
 Pt         6.9377238312        0.8008815565        6.8149385619
 Pt         5.5491859150        1.5991296406        4.5261769131
 Pt         8.3247966998        0.0005063317        2.2459440617
 Pt         8.3249743716        0.0000905852        9.1400652741
 Pt         9.7105382047        0.8002312156       -0.0769328631
 Pt         9.7120225566        0.8011936329        6.8133190542
 Pt         8.3228244998        1.6015808785        4.5299680128
 Pt        11.0988150560        0.0007347483        2.2474177270
 Pt        11.0971052108        0.0015369104        9.1382961574
 Pt        12.4866937915        0.8007308253       -0.0761176958
 Pt        12.4861950724        0.8004161065        6.8152964983
 Pt        11.0977855377        1.6013597331        4.5319817299
 Pt        13.8733522110        0.0001727930        2.2478887812
 Pt        13.8734982261        0.0005950297        9.1375147923
 Pt        15.2596587637        0.8006488905       -0.0767343975
 Pt        15.2602670726        0.8003976734        6.8146673404
 Pt        13.8730266034        1.6043588047        4.5321113029
 Pt        -1.3879998835        2.4030117591        2.2470696761
 Pt        -1.3880346388        2.4026253614        9.1374840881
 Pt        -0.0010474443        3.2047454184       -0.0758271296
 Pt        -0.0000638035        3.2045939851        6.8161277836
 Pt        -1.3879038255        4.0048752260        4.5316659770
 Pt         1.3873356922        2.4027490180        2.2476374429
 Pt         1.3868483798        2.4017674997        9.1411488105
 Pt         2.7735240492        3.2046570840       -0.0763921490
 Pt         2.7731029491        3.2010089450        6.8140674340
 Pt         1.3868671598        4.0048587871        4.5306492763
 Pt         4.1604743292        2.3998863297        2.2463431843
 Pt         4.1613233844        2.3994159924        9.1421528997
 Pt         5.5496157710        3.2054799462       -0.0713887689
 Pt         5.5494935225        3.1924542756        6.8009797413
 Pt         4.1605078146        4.0098850439        4.5287055878
 Pt         6.9379252108        2.4006172108        2.2463741975
 Pt         6.9357855065        2.4000160702        9.1416846544
 Pt         8.3245151836        3.2044541132       -0.0774505888
 Pt         8.3250706345        3.2015949880        6.8143821942
 Pt         6.9381153419        4.0071618330        4.5277312784
 Pt         9.7112821925        2.4029143483        2.2475024224
 Pt         9.7118850183        2.4014712578        9.1401632105
 Pt        11.0992701381        3.2046820445       -0.0761448239
 Pt        11.0987635748        3.2046250849        6.8161682187
 Pt         9.7115570811        4.0043819262        4.5303111220
 Pt        12.4861265567        2.4032491184        2.2469850298
 Pt        12.4859995617        2.4027426235        9.1375209846
 Pt        13.8730582789        3.2038566048       -0.0790101658
 Pt        13.8732628075        3.2036435495        6.8160034121
 Pt        12.4856144277        4.0044665223        4.5320150013
 Pt        -2.7746054789        4.8053777945        2.2473901061
 Pt        -2.7746433191        4.8045795975        9.1368251548
 Pt        -1.3868302920        5.6065012134       -0.0773633184
 Pt        -1.3861818585        5.6071897799        6.8151025344
 Pt        -2.7746047493        6.4089199221        4.5314118462
 Pt         0.0004104832        4.8060339874        2.2462109171
 Pt         0.0000126405        4.8049207862        9.1409459153
 Pt         1.3887535918        5.6070254223       -0.0806402476
 Pt         1.3880893966        5.6050456965        6.8143721830
 Pt        -0.0009049822        6.4074294265        4.5294355992
 Pt         2.7741999788        4.8049314500        2.2461148390
 Pt         2.7699913385        4.8010302341        9.1408533030
 Pt         4.1625485772        5.6071749723       -0.0755307781
 Pt         4.1629419418        5.5986062851        6.8110655475
 Pt         2.7729691179        6.4082018343        4.5299309489
 Pt         5.5493443307        4.8051674301        2.2485391852
 Pt         5.5472343761        4.7782401876        9.1153268417
 Pt         6.9356479338        5.6073167746       -0.0759051675
 Pt         6.9341974380        5.5956367790        6.8048784434
 Pt         5.5488557276        6.4091447590        4.5293359578
 Pt         8.3244656931        4.8052459136        2.2460290316
 Pt         8.3279789627        4.7988940221        9.1396264405
 Pt         9.7101792248        5.6070152294       -0.0809607737
 Pt         9.7108188677        5.6054167510        6.8138067900
 Pt         8.3260316497        6.4081272886        4.5287509375
 Pt        11.0983348513        4.8059432293        2.2462080265
 Pt        11.0989888865        4.8049852198        9.1404956398
 Pt        12.4854932415        5.6066399670       -0.0770246574
 Pt        12.4847310621        5.6073026853        6.8145326647
 Pt        11.0994638873        6.4080388416        4.5292766857
 Pt        -4.1617004957        7.2082547049        2.2476015526
 Pt        -4.1587730380        7.2081079684        9.1403136053
 Pt        -2.7748151004        8.0113028694       -0.0748840067
 Pt        -2.7749609713        8.0099019728        6.8145603887
 Pt        -4.1636572023        8.8102009680        4.5308430009
 Pt        -1.3887092226        7.2084988189        2.2473329319
 Pt        -1.3909056668        7.2077671789        9.1402177955
 Pt         0.0004168032        8.0081782632       -0.0744832562
 Pt        -0.0012512102        8.0093540844        6.8148204004
 Pt        -1.3851900841        8.8103158962        4.5306947108
 Pt         1.3869239727        7.2087706855        2.2461045027
 Pt         1.3696487663        7.2080871629        9.1408221895
 Pt         2.7744479649        8.0097660629       -0.0751798960
 Pt         2.7736319415        8.0075283167        6.8152612667
 Pt         1.3938380458        8.8069081957        4.5347228278
 Pt         4.1622337408        7.2078007246        2.2467162165
 Pt         4.1396760870        7.2274090063        9.0816201535
 Pt         5.5496315275        8.0105723811       -0.0779239832
 Pt         5.5486200690        8.0156689877        6.7884749733
 Pt         4.1593951943        8.8132604251        4.5220938973
 Pt         6.9369512328        7.2081429361        2.2468334729
 Pt         6.9823178632        7.2188727013        9.0548339833
 Pt         8.3239699710        8.0093912636       -0.0749792624
 Pt         8.3269774897        8.0083405602        6.8092026415
 Pt         6.9357646944        8.8122064497        4.5234470810
 Pt         9.7115751319        7.2085599865        2.2462258421
 Pt         9.7321029321        7.2084438807        9.1443396759
 Pt        11.0988659409        8.0089357434       -0.0747615078
 Pt        11.0992560731        8.0089365248        6.8154849232
 Pt         9.7059071399        8.8081535334        4.5355563536
 Pt        -5.5484334073        9.6123186251        2.2479151821
 Pt        -5.5475068616        9.6134036599        9.1407311956
 Pt        -4.1627418768       10.4114334115       -0.0808681582
 Pt        -4.1621449097       10.4118707265        6.8146614026
 Pt        -5.5506443094       11.2112348132        4.5305197402
 Pt        -2.7747443532        9.6123976086        2.2462896688
 Pt        -2.7743484791        9.6119948382        9.1386918532
 Pt        -1.3868858970       10.4118116036       -0.0818833249
 Pt        -1.3878673118       10.4121323990        6.8150023646
 Pt        -2.7745264748       11.2135447666        4.5309702545
 Pt        -0.0025071371        9.6126270592        2.2474199450
 Pt        -0.0020844928        9.6131247950        9.1404500235
 Pt         1.3872796266       10.4135460568       -0.0740685648
 Pt         1.3837850768       10.4151623811        6.8137863182
 Pt         0.0011568748       11.2110168075        4.5305066287
 Pt         2.7743048828        9.6111237986        2.2458633381
 Pt         2.7668289592        9.6232780586        9.1364161697
 Pt         4.1614134346       10.4122042500       -0.0773970508
 Pt         4.1574704966       10.4137697482        6.8106779892
 Pt         2.7757753012       11.2146365231        4.5315374160
 Pt         5.5498405962        9.6120279383        2.2439869154
 Pt         5.5515348697        9.6365054799        9.1052256838
 Pt         6.9367457141       10.4123675144       -0.0765857798
 Pt         6.9412143611       10.4139733308        6.8109279426
 Pt         5.5490596959       11.2143592767        4.5304199273
 Pt         8.3244240202        9.6111276230        2.2468096156
 Pt         8.3321387281        9.6228079449        9.1395163074
 Pt         9.7117604119       10.4133369666       -0.0761558664
 Pt         9.7143106480       10.4145983058        6.8149379764
 Pt         8.3223724866       11.2138331673        4.5317560336
 Pt        -6.9364342207       12.0151217163        2.2476840783
 Pt        -6.9361450370       12.0178109576        9.1407044809
 Pt        -5.5493843967       12.8152719144       -0.0756444269
 Pt        -5.5479490130       12.8171128923        6.8146550751
 Pt        -6.9360870823       13.6152719099        4.5306617790
 Pt        -4.1619863942       12.0141504043        2.2469538601
 Pt        -4.1615603682       12.0155723567        9.1371401862
 Pt        -2.7744012528       12.8170720589       -0.0739731844
 Pt        -2.7747586636       12.8158409083        6.8140029429
 Pt        -4.1621776181       13.6157981308        4.5305099347
 Pt        -1.3873573283       12.0143500231        2.2468419042
 Pt        -1.3879791407       12.0155408273        9.1373350235
 Pt        -0.0007987963       12.8152135243       -0.0762321378
 Pt        -0.0016156292       12.8175870981        6.8149674685
 Pt        -1.3872495741       13.6157162568        4.5307976655
 Pt         1.3872416105       12.0154856052        2.2476012888
 Pt         1.3869385986       12.0176142851        9.1410341013
 Pt         2.7740406602       12.8168412338       -0.0778442602
 Pt         2.7733140061       12.8168876541        6.8154474880
 Pt         1.3869080728       13.6151670581        4.5301783736
 Pt         4.1618803308       12.0150933950        2.2458215745
 Pt         4.1603113266       12.0201692018        9.1399549338
 Pt         5.5494074312       12.8151340368       -0.0784477108
 Pt         5.5494966122       12.8157620042        6.8145739495
 Pt         4.1616714876       13.6166380696        4.5303229668
 Pt         6.9364766475       12.0149491106        2.2460543319
 Pt         6.9379098774       12.0199022585        9.1402673483
 Pt         8.3244055645       12.8170764784       -0.0773650495
 Pt         8.3250296515       12.8173408997        6.8156213099
 Pt         6.9369024832       13.6163544635        4.5301701870
  O         5.5590711348        7.1426966864       11.4691770243
  H         6.4713376940        6.8726794666       11.2916270775
  H         5.0972532632        6.3232231444       11.2960252688
     183
 i =        3, E =    -21649.9980492493
 Pt        -0.0009211633        0.0011798705        2.2209599844
 Pt         0.0021713582        0.0035674749        9.1642385933
 Pt         1.3885609267        0.8004630262       -0.1005018121
 Pt         1.3864549764        0.8016022248        6.8388934166
 Pt         0.0007479935        1.6014234848        4.5316571206
 Pt         2.7741601503       -0.0000782492        2.2190149308
 Pt         2.7730082906        0.0000160153        9.1637693695
 Pt         4.1630441656        0.8006902389       -0.1072867673
 Pt         4.1607437705        0.7983232329        6.8392480356
 Pt         2.7759267772        1.6020335521        4.5287935593
 Pt         5.5490751483       -0.0001055202        2.2185513840
 Pt         5.5493813548       -0.0036467645        9.1605071922
 Pt         6.9353091925        0.8003591972       -0.1052935724
 Pt         6.9382290054        0.7981313729        6.8393915999
 Pt         5.5489437155        1.5997469233        4.5238290526
 Pt         8.3246570364        0.0003376671        2.2192999849
 Pt         8.3256604549        0.0004022596        9.1653440147
 Pt         9.7100210817        0.8005435585       -0.1007534264
 Pt         9.7120082672        0.8013753365        6.8387107510
 Pt         8.3231519037        1.6012118411        4.5289164748
 Pt        11.0992589023        0.0013146986        2.2209315378
 Pt        11.0969173305        0.0036372628        9.1629513858
 Pt        12.4866774641        0.8008632759       -0.0998094204
 Pt        12.4867349823        0.8007046190        6.8411643515
 Pt        11.0981226647        1.6014561463        4.5322060630
 Pt        13.8733066642        0.0006098563        2.2217283778
 Pt        13.8734838954        0.0031574374        9.1620243302
 Pt        15.2598771933        0.8009322391       -0.1002759081
 Pt        15.2602255403        0.8006769591        6.8405885838
 Pt        13.8728546819        1.6040322939        4.5332009641
 Pt        -1.3883216670        2.4031665494        2.2218702202
 Pt        -1.3879948664        2.4022428344        9.1616120213
 Pt        -0.0010401580        3.2048185401       -0.0998576522
 Pt         0.0001096868        3.2046215056        6.8428066410
 Pt        -1.3884418346        4.0049577088        4.5323160431
 Pt         1.3860623226        2.4024583485        2.2212396855
 Pt         1.3861913038        2.4008667511        9.1671381190
 Pt         2.7734496848        3.2040748875       -0.1002106243
 Pt         2.7729027094        3.1984740298        6.8403594700
 Pt         1.3855950770        4.0044113394        4.5305425649
 Pt         4.1601420307        2.3997806919        2.2187007393
 Pt         4.1604784678        2.3983763683        9.1674024025
 Pt         5.5494096447        3.2049530454       -0.0947250518
 Pt         5.5487222455        3.1860719246        6.8253186905
 Pt         4.1595252093        4.0074418052        4.5261335975
 Pt         6.9385745640        2.4003486869        2.2190921891
 Pt         6.9357722009        2.3976788333        9.1661648319
 Pt         8.3246157134        3.2040134417       -0.1014872409
 Pt         8.3257760388        3.1980502284        6.8402150755
 Pt         6.9391346829        4.0049434710        4.5247294160
 Pt         9.7123099005        2.4028305459        2.2208946035
 Pt         9.7120256771        2.4004086239        9.1663064046
 Pt        11.0991046677        3.2045138319       -0.1004257119
 Pt        11.0985631203        3.2048137067        6.8427167879
 Pt         9.7128297938        4.0037991088        4.5300730182
 Pt        12.4866469799        2.4035033244        2.2217157062
 Pt        12.4862294812        2.4022812043        9.1617921168
 Pt        13.8730963756        3.2037988262       -0.1030092853
 Pt        13.8732798394        3.2039938155        6.8423731087
 Pt        12.4862681933        4.0047130747        4.5326247005
 Pt        -2.7747676811        4.8047715222        2.2214741855
 Pt        -2.7746038198        4.8035067330        9.1608983691
 Pt        -1.3867554201        5.6064631628       -0.1010096354
 Pt        -1.3860128797        5.6068999181        6.8409977735
 Pt        -2.7747113603        6.4090678873        4.5310398589
 Pt        -0.0002032067        4.8058215714        2.2193931685
 Pt        -0.0017229454        4.8038869687        9.1664445685
 Pt         1.3888655449        5.6067275931       -0.1049540312
 Pt         1.3874939876        5.6048964029        6.8408249417
 Pt        -0.0004427083        6.4065860447        4.5299959052
 Pt         2.7733951304        4.8049220970        2.2187707380
 Pt         2.7697949530        4.8033040082        9.1612731078
 Pt         4.1621577402        5.6068162639       -0.0985922745
 Pt         4.1609669536        5.5952200562        6.8290922613
 Pt         2.7731468917        6.4069028798        4.5279221113
 Pt         5.5494126631        4.8045701282        2.2214969652
 Pt         5.5502831144        4.7831056636        9.1236994929
 Pt         6.9361121451        5.6070804718       -0.0990563504
 Pt         6.9360617012        5.5904787110        6.8176064466
 Pt         5.5480307286        6.4077964845        4.5221148213
 Pt         8.3256240674        4.8049542110        2.2180413601
 Pt         8.3303794453        4.7995729797        9.1597181044
 Pt         9.7101755075        5.6064444635       -0.1051431068
 Pt         9.7113237125        5.6048643307        6.8399890757
 Pt         8.3258568759        6.4057817138        4.5241851965
 Pt        11.0988081391        4.8057218685        2.2193039918
 Pt        11.1013426414        4.8032858953        9.1661747471
 Pt        12.4856179880        5.6065536648       -0.1007559633
 Pt        12.4848478370        5.6070690896        6.8403469752
 Pt        11.0989155933        6.4070872757        4.5296969271
 Pt        -4.1614023797        7.2076204070        2.2214212564
 Pt        -4.1552740125        7.2078111296        9.1672478333
 Pt        -2.7747394347        8.0116158136       -0.0993861953
 Pt        -2.7750676539        8.0094058891        6.8392808026
 Pt        -4.1633501529        8.8101490335        4.5305318763
 Pt        -1.3888984826        7.2077745808        2.2212115185
 Pt        -1.3933879892        7.2074003519        9.1654259647
 Pt         0.0000557942        8.0087543087       -0.0976945645
 Pt        -0.0033289837        8.0093700285        6.8417779474
 Pt        -1.3846398744        8.8101878233        4.5299498008
 Pt         1.3861381228        7.2083754631        2.2200567557
 Pt         1.3700318611        7.2087044754        9.1649364025
 Pt         2.7742485883        8.0095428401       -0.0992460931
 Pt         2.7680502963        8.0107653740        6.8340442128
 Pt         1.3923241762        8.8073661736        4.5342453747
 Pt         4.1614993090        7.2082353566        2.2181610594
 Pt         4.1475498626        7.2284200766        9.0948730431
 Pt         5.5497175362        8.0105422295       -0.1014256794
 Pt         5.5484127902        8.0152526645        6.8010172936
 Pt         4.1600701751        8.8136145420        4.5180589105
 Pt         6.9375590302        7.2083824904        2.2179303891
 Pt         6.9790431470        7.2207155369        9.0520213005
 Pt         8.3245129307        8.0092681142       -0.0987956250
 Pt         8.3374503594        8.0141674455        6.8184464945
 Pt         6.9344266907        8.8134020058        4.5163197437
 Pt         9.7122538957        7.2080472744        2.2196388221
 Pt         9.7350258545        7.2084924032        9.1674692055
 Pt        11.0990222405        8.0096302483       -0.0983806277
 Pt        11.1028691668        8.0090090403        6.8426185435
 Pt         9.7080663117        8.8090597651        4.5336173842
 Pt        -5.5485991279        9.6119485869        2.2228793615
 Pt        -5.5432551711        9.6150017199        9.1670076050
 Pt        -4.1623777732       10.4116888291       -0.1041557847
 Pt        -4.1609105317       10.4127257713        6.8399723725
 Pt        -5.5512713862       11.2114046585        4.5307148319
 Pt        -2.7751314949        9.6125577970        2.2200031208
 Pt        -2.7744008494        9.6122607460        9.1629736708
 Pt        -1.3874420669       10.4120879692       -0.1062232172
 Pt        -1.3892538483       10.4129214331        6.8403810249
 Pt        -2.7745915199       11.2123773526        4.5302179004
 Pt        -0.0023199580        9.6121942450        2.2220302386
 Pt        -0.0054267117        9.6141079550        9.1659858037
 Pt         1.3862878178       10.4132329036       -0.0959675784
 Pt         1.3801480774       10.4170778255        6.8402568066
 Pt         0.0018255864       11.2109039615        4.5305351084
 Pt         2.7735729720        9.6121110312        2.2191932744
 Pt         2.7648271897        9.6256788810        9.1566470538
 Pt         4.1612863360       10.4130840550       -0.1016465148
 Pt         4.1550940265       10.4166171349        6.8315146211
 Pt         2.7758605609       11.2148918147        4.5305398499
 Pt         5.5494620447        9.6126050247        2.2143168614
 Pt         5.5532315448        9.6369269004        9.1185139613
 Pt         6.9372938251       10.4135122308       -0.1004968642
 Pt         6.9441485139       10.4169901134        6.8313791097
 Pt         5.5485986651       11.2159328465        4.5273293996
 Pt         8.3251367857        9.6120774750        2.2197962838
 Pt         8.3363102544        9.6240002815        9.1590219403
 Pt         9.7124363248       10.4129635211       -0.0986666225
 Pt         9.7186500114       10.4179335553        6.8421121083
 Pt         8.3220655429       11.2142178512        4.5312104066
 Pt        -6.9369800069       12.0154346313        2.2218387875
 Pt        -6.9346392433       12.0207830558        9.1673848660
 Pt        -5.5487520492       12.8151722857       -0.1005262953
 Pt        -5.5474475913       12.8174112565        6.8399273920
 Pt        -6.9361157214       13.6153737583        4.5298362774
 Pt        -4.1627586367       12.0136278291        2.2211724832
 Pt        -4.1610625295       12.0162912422        9.1611440452
 Pt        -2.7744618940       12.8163943335       -0.0995784331
 Pt        -2.7750759117       12.8154163300        6.8385897841
 Pt        -4.1619620514       13.6150108841        4.5284082032
 Pt        -1.3869130559       12.0137788745        2.2207874658
 Pt        -1.3883560863       12.0161802722        9.1616865984
 Pt        -0.0012649653       12.8151508599       -0.1011382807
 Pt        -0.0022654203       12.8178889807        6.8405226977
 Pt        -1.3872273685       13.6149400494        4.5293427364
 Pt         1.3873808035       12.0159988421        2.2216426982
 Pt         1.3846476212       12.0204344269        9.1666592698
 Pt         2.7738190547       12.8167239916       -0.1012053220
 Pt         2.7721850296       12.8179355703        6.8413588783
 Pt         1.3868429150       13.6152461188        4.5293134008
 Pt         4.1620108843       12.0159589954        2.2185973810
 Pt         4.1597912147       12.0237618352        9.1640497586
 Pt         5.5492399724       12.8148608461       -0.1027575947
 Pt         5.5493977212       12.8155246808        6.8406282328
 Pt         4.1616881136       13.6174770913        4.5307412571
 Pt         6.9366165741       12.0156502592        2.2190914605
 Pt         6.9391690345       12.0240179215        9.1644511600
 Pt         8.3247520403       12.8169221128       -0.1007053688
 Pt         8.3262876046       12.8185608592        6.8415585381
 Pt         6.9371493739       13.6171777052        4.5305147534
  O         5.5533837998        7.1236206918       11.6082719501
  H         6.4572693684        6.8930433544       11.3218142040
  H         5.1016273216        6.3095514100       11.3147417660
     183
 i =        4, E =    -21650.0005444941
 Pt        -0.0012872363        0.0017761085        2.2042724811
 Pt         0.0021219837        0.0051539959        9.1890152193
 Pt         1.3886539575        0.8001447451       -0.1243820960
 Pt         1.3862064288        0.8015023671        6.8560436537
 Pt         0.0002977304        1.6017209036        4.5320064968
 Pt         2.7738931707       -0.0004882729        2.2013504712
 Pt         2.7735509645        0.0012532794        9.1872727940
 Pt         4.1628860663        0.8002656296       -0.1304322753
 Pt         4.1603726055        0.7948305534        6.8544839319
 Pt         2.7749074418        1.6013158643        4.5273890202
 Pt         5.5489307927       -0.0011913061        2.2005123983
 Pt         5.5488586679       -0.0029822428        9.1844604377
 Pt         6.9355259853        0.8002880292       -0.1280408998
 Pt         6.9381919098        0.7943331025        6.8546394868
 Pt         5.5486959114        1.5984368662        4.5218284522
 Pt         8.3248433658       -0.0002360005        2.2020589477
 Pt         8.3249892048        0.0010144422        9.1896152338
 Pt         9.7096182967        0.8004693307       -0.1246757930
 Pt         9.7121270617        0.8009314772        6.8558631786
 Pt         8.3243898844        1.6002807039        4.5276353176
 Pt        11.0995149360        0.0021118293        2.2042174955
 Pt        11.0971189863        0.0049847342        9.1867837729
 Pt        12.4862924664        0.8009286206       -0.1230303430
 Pt        12.4868141337        0.8010382369        6.8581094641
 Pt        11.0988440967        1.6017095292        4.5325896394
 Pt        13.8734017629        0.0013163613        2.2052858458
 Pt        13.8734643425        0.0048645761        9.1864235374
 Pt        15.2601744852        0.8011600790       -0.1231859220
 Pt        15.2604844186        0.8008842099        6.8578050590
 Pt        13.8726506438        1.6036491684        4.5343561466
 Pt        -1.3887221287        2.4032102366        2.2063353045
 Pt        -1.3875169212        2.4027222873        9.1854183370
 Pt        -0.0010149515        3.2044147441       -0.1235519319
 Pt         0.0005105853        3.2045526374        6.8600466364
 Pt        -1.3883953744        4.0052627166        4.5331274130
 Pt         1.3848645251        2.4023905643        2.2041799427
 Pt         1.3865361805        2.4020266189        9.1914096255
 Pt         2.7733109086        3.2032692139       -0.1236131286
 Pt         2.7726594237        3.1959090003        6.8569262015
 Pt         1.3850212867        4.0037233950        4.5311279978
 Pt         4.1599745414        2.3990419948        2.2009453870
 Pt         4.1609086521        2.4002279515        9.1888599776
 Pt         5.5492104617        3.2041557340       -0.1196486563
 Pt         5.5482118719        3.1810097527        6.8410632489
 Pt         4.1590682310        4.0038854942        4.5232959116
 Pt         6.9388758118        2.3994401269        2.2015082338
 Pt         6.9357647548        2.3981714995        9.1870016817
 Pt         8.3246261922        3.2035273794       -0.1250337849
 Pt         8.3259075658        3.1946490824        6.8562837476
 Pt         6.9388696431        4.0003784207        4.5209985077
 Pt         9.7136878729        2.4025218459        2.2037453411
 Pt         9.7118639164        2.4008758872        9.1914854314
 Pt        11.0991142954        3.2038788552       -0.1244907773
 Pt        11.0983142663        3.2045307688        6.8600049357
 Pt         9.7135947915        4.0028686860        4.5304227110
 Pt        12.4871047871        2.4036279802        2.2057290342
 Pt        12.4862088069        2.4023834067        9.1857197556
 Pt        13.8731360932        3.2038599678       -0.1250791717
 Pt        13.8733963391        3.2041170981        6.8589010470
 Pt        12.4863614835        4.0047991606        4.5333744963
 Pt        -2.7748893193        4.8044566851        2.2049126256
 Pt        -2.7741516182        4.8027509675        9.1850198496
 Pt        -1.3868226918        5.6068404975       -0.1242117655
 Pt        -1.3864691041        5.6064061886        6.8582108065
 Pt        -2.7746317432        6.4084655234        4.5304142348
 Pt        -0.0012134719        4.8052547240        2.2034065691
 Pt        -0.0019262590        4.8042940858        9.1906269803
 Pt         1.3880963876        5.6066011586       -0.1273516890
 Pt         1.3858914397        5.6054539100        6.8577141108
 Pt        -0.0001627795        6.4062973493        4.5312590810
 Pt         2.7722504528        4.8044232719        2.2015833462
 Pt         2.7714110265        4.8063412366        9.1785504497
 Pt         4.1614200332        5.6062567939       -0.1221766014
 Pt         4.1589428307        5.5957731056        6.8359355980
 Pt         2.7720503989        6.4058763772        4.5240247730
 Pt         5.5492661493        4.8035432518        2.2016816242
 Pt         5.5534526023        4.7964072513        9.1372689983
 Pt         6.9367571189        5.6067182901       -0.1229745797
 Pt         6.9394978916        5.5904748333        6.8195746194
 Pt         5.5473048781        6.4054806328        4.5102092831
 Pt         8.3269701093        4.8039328397        2.2000232571
 Pt         8.3316181968        4.8025782963        9.1748406883
 Pt         9.7113752104        5.6060300382       -0.1278097872
 Pt         9.7136675013        5.6053017826        6.8552058580
 Pt         8.3269063601        6.4046968451        4.5159908331
 Pt        11.0999651780        4.8052339109        2.2030321970
 Pt        11.1029713298        4.8028973563        9.1910916331
 Pt        12.4858848738        5.6067293738       -0.1242233630
 Pt        12.4855268497        5.6066903571        6.8580378785
 Pt        11.0987847032        6.4067233469        4.5306788315
 Pt        -4.1611272586        7.2068841766        2.2047785866
 Pt        -4.1539443172        7.2071220237        9.1935156663
 Pt        -2.7748881770        8.0115855740       -0.1241595578
 Pt        -2.7747708551        8.0085031952        6.8558880200
 Pt        -4.1623950816        8.8093391233        4.5303725125
 Pt        -1.3890746063        7.2070045917        2.2045755206
 Pt        -1.3927047007        7.2070847637        9.1891733239
 Pt        -0.0006405934        8.0092737027       -0.1207654809
 Pt        -0.0059677527        8.0106047600        6.8590691934
 Pt        -1.3847981804        8.8094778744        4.5291878690
 Pt         1.3849102954        7.2081775631        2.2034169650
 Pt         1.3761012775        7.2102562958        9.1846628818
 Pt         2.7737446803        8.0095442351       -0.1230853259
 Pt         2.7643555695        8.0135372864        6.8441403445
 Pt         1.3900066660        8.8083338183        4.5324570979
 Pt         4.1602467019        7.2086899618        2.1980412381
 Pt         4.1597143112        7.2260830581        9.1216205362
 Pt         5.5497567774        8.0105920411       -0.1257275687
 Pt         5.5491268845        8.0156352557        6.8021460157
 Pt         4.1585195780        8.8138061073        4.5131467646
 Pt         6.9380711972        7.2086343621        2.1962368890
 Pt         6.9690541071        7.2186119602        9.0718203258
 Pt         8.3253834325        8.0092417472       -0.1230854225
 Pt         8.3443294670        8.0185792922        6.8201059182
 Pt         6.9351327065        8.8139002599        4.5080509851
 Pt         9.7136994239        7.2077507330        2.2018899948
 Pt         9.7306271555        7.2096625517        9.1829690698
 Pt        11.0994619236        8.0099702701       -0.1216333082
 Pt        11.1074712536        8.0108280312        6.8596864326
 Pt         9.7120058821        8.8112427322        4.5283647748
 Pt        -5.5482263968        9.6117059903        2.2069058980
 Pt        -5.5404017666        9.6155211666        9.1924538997
 Pt        -4.1620036775       10.4121234469       -0.1257503533
 Pt        -4.1586390327       10.4138326909        6.8563000498
 Pt        -5.5508968951       11.2124735429        4.5306366144
 Pt        -2.7750717159        9.6112304703        2.2033182771
 Pt        -2.7740024303        9.6124411940        9.1868999688
 Pt        -1.3880982712       10.4127110554       -0.1287139587
 Pt        -1.3907611740       10.4135815564        6.8566167919
 Pt        -2.7744025685       11.2114621073        4.5283320874
 Pt        -0.0024097556        9.6118853572        2.2060784569
 Pt        -0.0067201834        9.6144926067        9.1904435457
 Pt         1.3853029047       10.4129635552       -0.1180045765
 Pt         1.3766741352       10.4191263092        6.8571405962
 Pt         0.0018148971       11.2114725837        4.5303659040
 Pt         2.7728040497        9.6130959922        2.2022444122
 Pt         2.7662264670        9.6246698899        9.1729697081
 Pt         4.1610541184       10.4137971728       -0.1256750751
 Pt         4.1542513769       10.4188089883        6.8440195653
 Pt         2.7753976864       11.2153306482        4.5297009898
 Pt         5.5489008287        9.6139691537        2.1950629760
 Pt         5.5549030529        9.6307916100        9.1345318545
 Pt         6.9379434272       10.4148489348       -0.1246112662
 Pt         6.9461167664       10.4195106823        6.8423607613
 Pt         5.5482959295       11.2174214652        4.5236330654
 Pt         8.3257597602        9.6131947557        2.2012171022
 Pt         8.3375109724        9.6216349644        9.1714555500
 Pt         9.7132586192       10.4127839021       -0.1210212028
 Pt         9.7237405515       10.4213175923        6.8586179084
 Pt         8.3224783336       11.2147977633        4.5302047781
 Pt        -6.9368177502       12.0161463493        2.2054620286
 Pt        -6.9336023159       12.0222825296        9.1933379746
 Pt        -5.5482101351       12.8148868153       -0.1252359418
 Pt        -5.5468966992       12.8183121051        6.8561139425
 Pt        -6.9365242638       13.6161255033        4.5291666494
 Pt        -4.1629364875       12.0135689421        2.2041123744
 Pt        -4.1605622638       12.0171876302        9.1851953080
 Pt        -2.7743650267       12.8152670318       -0.1254441850
 Pt        -2.7751621117       12.8145243878        6.8536148554
 Pt        -4.1620122368       13.6149961306        4.5254330377
 Pt        -1.3871548655       12.0134946270        2.2035376453
 Pt        -1.3886282900       12.0168233811        9.1857643919
 Pt        -0.0017557914       12.8150691559       -0.1258872411
 Pt        -0.0028110288       12.8183134547        6.8567456029
 Pt        -1.3869909578       13.6147682305        4.5272113181
 Pt         1.3871232319       12.0167124464        2.2051251402
 Pt         1.3834373195       12.0217142857        9.1908035169
 Pt         2.7734839416       12.8164032280       -0.1238487594
 Pt         2.7711050651       12.8190024837        6.8578219796
 Pt         1.3871843311       13.6157748981        4.5284169073
 Pt         4.1617613062       12.0175767827        2.2011263099
 Pt         4.1601994902       12.0250475939        9.1850542531
 Pt         5.5491159455       12.8156056849       -0.1263517028
 Pt         5.5494477304       12.8160404019        6.8572969546
 Pt         4.1616917206       13.6177075473        4.5313289373
 Pt         6.9367496840       12.0170803745        2.2017469613
 Pt         6.9401183379       12.0254962227        9.1855962470
 Pt         8.3251910771       12.8167374274       -0.1234974593
 Pt         8.3275309194       12.8201286405        6.8584707824
 Pt         6.9369240629       13.6175299990        4.5311079383
  O         5.5519015291        7.0673155804       11.7501828618
  H         6.4717227356        6.9479672461       11.3666634317
  H         5.0632381243        6.2983023021       11.3607504982
     183
 i =        5, E =    -21650.0016303839
 Pt        -0.0012346183        0.0018698676        2.2076588175
 Pt         0.0020614558        0.0047932773        9.1873164085
 Pt         1.3884539178        0.8000540550       -0.1228052386
 Pt         1.3862068171        0.8014068031        6.8532113759
 Pt        -0.0000710633        1.6017715997        4.5321760011
 Pt         2.7736050718       -0.0005552088        2.2039780462
 Pt         2.7741994278        0.0020465246        9.1850880319
 Pt         4.1626686351        0.8002599595       -0.1285208043
 Pt         4.1605983388        0.7951374386        6.8508964975
 Pt         2.7743417339        1.6008262539        4.5273422680
 Pt         5.5489926430       -0.0016948068        2.2028774017
 Pt         5.5488529780       -0.0013275452        9.1822626746
 Pt         6.9357301654        0.8002373641       -0.1261849445
 Pt         6.9378009185        0.7943452238        6.8510917626
 Pt         5.5486479360        1.5974056351        4.5225153278
 Pt         8.3250236039       -0.0004481379        2.2048579136
 Pt         8.3241569116        0.0014409233        9.1876860778
 Pt         9.7098036181        0.8003251302       -0.1231445099
 Pt         9.7119565163        0.8007430244        6.8530653510
 Pt         8.3247776890        1.5997668386        4.5278151370
 Pt        11.0994629918        0.0020933210        2.2074949896
 Pt        11.0971423747        0.0043016379        9.1846586689
 Pt        12.4860758363        0.8009186241       -0.1208406192
 Pt        12.4867131563        0.8011323184        6.8549562233
 Pt        11.0992442357        1.6018255120        4.5327550421
 Pt        13.8733658490        0.0016120205        2.2088301337
 Pt        13.8735882609        0.0041311307        9.1844222130
 Pt        15.2602055048        0.8011414290       -0.1208769878
 Pt        15.2605302787        0.8010120152        6.8547125920
 Pt        13.8728482686        1.6035664473        4.5344145124
 Pt        -1.3887997168        2.4031397405        2.2099121412
 Pt        -1.3872475182        2.4032958088        9.1833025915
 Pt        -0.0010120324        3.2041355467       -0.1211363112
 Pt         0.0004535923        3.2044046085        6.8571172923
 Pt        -1.3882302476        4.0051968572        4.5332135253
 Pt         1.3848450190        2.4023308495        2.2075749807
 Pt         1.3872955251        2.4033228309        9.1889194579
 Pt         2.7732207417        3.2030930585       -0.1217458450
 Pt         2.7731575948        3.1968148477        6.8526895131
 Pt         1.3854086637        4.0036874728        4.5315253405
 Pt         4.1599613824        2.3987647829        2.2039694347
 Pt         4.1616953672        2.4023108192        9.1847287212
 Pt         5.5491892825        3.2041399614       -0.1185613487
 Pt         5.5485721235        3.1847269131        6.8380419388
 Pt         4.1594946657        4.0032411452        4.5231465593
 Pt         6.9388334469        2.3990508720        2.2044431110
 Pt         6.9359517961        2.4002950291        9.1827420906
 Pt         8.3247428319        3.2035053279       -0.1232960692
 Pt         8.3253736575        3.1956230521        6.8518092570
 Pt         6.9383312015        3.9997414738        4.5205093434
 Pt         9.7137756352        2.4022909857        2.2071373663
 Pt         9.7116634817        2.4018524739        9.1890730471
 Pt        11.0991509386        3.2036082001       -0.1224793973
 Pt        11.0983687419        3.2042929478        6.8573164468
 Pt         9.7130828206        4.0027981056        4.5306132575
 Pt        12.4871703018        2.4035243747        2.2091529382
 Pt        12.4861180922        2.4028977899        9.1837604008
 Pt        13.8731374135        3.2039034667       -0.1225447476
 Pt        13.8733524763        3.2038871149        6.8554095186
 Pt        12.4862357017        4.0047383492        4.5335828480
 Pt        -2.7748303247        4.8044710013        2.2083099834
 Pt        -2.7738712005        4.8033738981        9.1832457959
 Pt        -1.3869678444        5.6069335637       -0.1222239859
 Pt        -1.3867968019        5.6063071816        6.8552628342
 Pt        -2.7745991560        6.4077260066        4.5307750823
 Pt        -0.0015293853        4.8050833982        2.2073313631
 Pt        -0.0006510091        4.8052409091        9.1883647382
 Pt         1.3874266344        5.6065456501       -0.1250270184
 Pt         1.3857318551        5.6059760198        6.8533641955
 Pt        -0.0005690433        6.4064414559        4.5316056400
 Pt         2.7720891300        4.8040602560        2.2046221443
 Pt         2.7730992425        4.8071766922        9.1745715663
 Pt         4.1611073131        5.6061298237       -0.1211156058
 Pt         4.1597918044        5.5982704485        6.8320716109
 Pt         2.7720971620        6.4061900488        4.5234082699
 Pt         5.5492071935        4.8028244918        2.2031192456
 Pt         5.5535998434        4.7978325913        9.1355751028
 Pt         6.9370072440        5.6065421461       -0.1222726360
 Pt         6.9395197430        5.5934117264        6.8156504883
 Pt         5.5476047617        6.4054332943        4.5087095101
 Pt         8.3269510886        4.8034189693        2.2027402734
 Pt         8.3306611509        4.8037501648        9.1692505495
 Pt         9.7120411222        5.6058798325       -0.1259084389
 Pt         9.7144557787        5.6057768582        6.8496006626
 Pt         8.3268129257        6.4053369600        4.5149405816
 Pt        11.1003049601        4.8049858770        2.2068712807
 Pt        11.1024010072        4.8037678709        9.1889792171
 Pt        12.4861365012        5.6067056144       -0.1223817730
 Pt        12.4859502559        5.6066635048        6.8554156972
 Pt        11.0994059783        6.4069644986        4.5308614341
 Pt        -4.1608444869        7.2068467866        2.2083011812
 Pt        -4.1553460234        7.2072060182        9.1912408254
 Pt        -2.7749987217        8.0112611760       -0.1224460508
 Pt        -2.7745358163        8.0085807672        6.8536272994
 Pt        -4.1614840979        8.8094206167        4.5305730338
 Pt        -1.3890909589        7.2069699305        2.2079066128
 Pt        -1.3908036544        7.2073646521        9.1869133678
 Pt        -0.0007727629        8.0092208214       -0.1188710034
 Pt        -0.0054777921        8.0110542131        6.8554194194
 Pt        -1.3855179678        8.8093544176        4.5293839281
 Pt         1.3845047706        7.2082443370        2.2066871172
 Pt         1.3792112867        7.2107176459        9.1803367778
 Pt         2.7735934003        8.0096361300       -0.1211911951
 Pt         2.7672335309        8.0126334289        6.8414323646
 Pt         1.3888721693        8.8088658762        4.5317283269
 Pt         4.1598533963        7.2087020448        2.1995321477
 Pt         4.1602927371        7.2245947354        9.1231463821
 Pt         5.5497103177        8.0108463806       -0.1252058074
 Pt         5.5495444144        8.0151756289        6.8007028044
 Pt         4.1581353459        8.8133520281        4.5125990758
 Pt         6.9381378824        7.2085963320        2.1970803734
 Pt         6.9661966314        7.2174399308        9.0787660883
 Pt         8.3254854788        8.0093439688       -0.1220049527
 Pt         8.3399697333        8.0165883062        6.8190524511
 Pt         6.9359224409        8.8134448003        4.5067502095
 Pt         9.7140408275        7.2077679926        2.2042793285
 Pt         9.7278804942        7.2099714177        9.1767444180
 Pt        11.0996467698        8.0096506406       -0.1197837287
 Pt        11.1073930350        8.0116552770        6.8556247171
 Pt         9.7129430961        8.8117303960        4.5268233306
 Pt        -5.5475175660        9.6120012926        2.2097291564
 Pt        -5.5416522705        9.6149842970        9.1899842332
 Pt        -4.1621234355       10.4121012078       -0.1236131052
 Pt        -4.1581835922       10.4140409746        6.8531056297
 Pt        -5.5498417625       11.2132895218        4.5305071340
 Pt        -2.7748067113        9.6108218811        2.2065590475
 Pt        -2.7737359908        9.6122809334        9.1851356318
 Pt        -1.3880154852       10.4127436900       -0.1264832545
 Pt        -1.3905930412       10.4135478178        6.8532418830
 Pt        -2.7742342632       11.2117105925        4.5274723778
 Pt        -0.0027104170        9.6120212801        2.2091503594
 Pt        -0.0049064043        9.6142327750        9.1881401370
 Pt         1.3855154961       10.4129949459       -0.1162004104
 Pt         1.3775966762       10.4187389181        6.8531090904
 Pt         0.0010533068       11.2119854299        4.5302152366
 Pt         2.7726285082        9.6134635533        2.2050338222
 Pt         2.7685764685        9.6228957500        9.1689890552
 Pt         4.1611844003       10.4138065249       -0.1240402780
 Pt         4.1555076219       10.4178764372        6.8398335904
 Pt         2.7748583307       11.2155847800        4.5296171989
 Pt         5.5487516563        9.6143988603        2.1974769710
 Pt         5.5549004728        9.6281118996        9.1340107223
 Pt         6.9377925394       10.4149204264       -0.1233084668
 Pt         6.9451924189       10.4188492062        6.8373947909
 Pt         5.5483214317       11.2166389148        4.5236023272
 Pt         8.3257196876        9.6135585591        2.2031266337
 Pt         8.3357305695        9.6202332139        9.1657716653
 Pt         9.7130856567       10.4129648154       -0.1192532662
 Pt         9.7234204656       10.4209827165        6.8539954186
 Pt         8.3232497885       11.2152763741        4.5295737141
 Pt        -6.9364456727       12.0163575065        2.2088501303
 Pt        -6.9338801642       12.0211956740        9.1907175044
 Pt        -5.5483147432       12.8147476958       -0.1235446686
 Pt        -5.5468305740       12.8183103427        6.8532133533
 Pt        -6.9368720104       13.6164319055        4.5294655275
 Pt        -4.1624240811       12.0136611345        2.2069572983
 Pt        -4.1606350295       12.0171964601        9.1833286084
 Pt        -2.7743400800       12.8152142253       -0.1241355599
 Pt        -2.7750684072       12.8143761718        6.8497103500
 Pt        -4.1621919326       13.6149049290        4.5248876529
 Pt        -1.3874852196       12.0134552786        2.2064499247
 Pt        -1.3885158298       12.0168018774        9.1837109375
 Pt        -0.0017303466       12.8149798416       -0.1242711216
 Pt        -0.0026521410       12.8180158378        6.8536123082
 Pt        -1.3869617513       13.6145283508        4.5265423894
 Pt         1.3867637972       12.0168031084        2.2084543865
 Pt         1.3842331077       12.0206367128        9.1882491209
 Pt         2.7734378122       12.8163295250       -0.1219019191
 Pt         2.7713518655       12.8187730274        6.8545422998
 Pt         1.3875519600       13.6159912792        4.5286291211
 Pt         4.1615549234       12.0178627500        2.2043700521
 Pt         4.1610028394       12.0233347338        9.1811669362
 Pt         5.5491128353       12.8160919294       -0.1244790433
 Pt         5.5495954947       12.8164734744        6.8538318904
 Pt         4.1618710055       13.6176627645        4.5313940152
 Pt         6.9367563786       12.0174115057        2.2049493524
 Pt         6.9398969184       12.0237455311        9.1818657327
 Pt         8.3252036686       12.8168117386       -0.1215291073
 Pt         8.3275626695       12.8199221493        6.8554645781
 Pt         6.9367013319       13.6174650031        4.5313464389
  O         5.5482050715        7.0732572560       11.7325560635
  H         6.4597911507        6.9437022285       11.3976635501
  H         5.0688449448        6.2970155593       11.3841587347
     183
 i =        6, E =    -21650.0023068849
 Pt        -0.0011296168        0.0018963265        2.2130941555
 Pt         0.0023735548        0.0042209261        9.1812326690
 Pt         1.3881365299        0.7999084597       -0.1172996688
 Pt         1.3865133329        0.8015217508        6.8487792402
 Pt        -0.0003409133        1.6019002329        4.5326667404
 Pt         2.7733582300       -0.0004931229        2.2086036266
 Pt         2.7750466923        0.0031410716        9.1784735822
 Pt         4.1625393893        0.8003607171       -0.1235494674
 Pt         4.1610756755        0.7967133344        6.8451554026
 Pt         2.7737023230        1.6003488962        4.5274245199
 Pt         5.5489711100       -0.0019081363        2.2071097116
 Pt         5.5490088972        0.0009025412        9.1754509493
 Pt         6.9358896108        0.8002963934       -0.1211836783
 Pt         6.9372323743        0.7954424565        6.8454395336
 Pt         5.5485255740        1.5960594078        4.5231212763
 Pt         8.3253102729       -0.0006625962        2.2094849872
 Pt         8.3232845469        0.0019508013        9.1811214705
 Pt         9.7100487791        0.8000915740       -0.1176831611
 Pt         9.7114632149        0.8005741555        6.8485741600
 Pt         8.3250931840        1.5990557394        4.5280911070
 Pt        11.0992919700        0.0019750828        2.2127289719
 Pt        11.0968909818        0.0031728706        9.1782109147
 Pt        12.4858407026        0.8008495754       -0.1146029374
 Pt        12.4864440148        0.8011142123        6.8504880774
 Pt        11.0995218858        1.6019855060        4.5331814321
 Pt        13.8732940411        0.0016975048        2.2143337496
 Pt        13.8738456130        0.0028257755        9.1780663733
 Pt        15.2601287935        0.8010667549       -0.1143659297
 Pt        15.2607411852        0.8010313151        6.8503026346
 Pt        13.8730004496        1.6036067443        4.5344001667
 Pt        -1.3888284480        2.4030264860        2.2154832553
 Pt        -1.3866983513        2.4041739468        9.1772917205
 Pt        -0.0010624623        3.2039008339       -0.1140507500
 Pt         0.0004788967        3.2044049808        6.8523038361
 Pt        -1.3877889257        4.0049933014        4.5335582081
 Pt         1.3850248168        2.4022064949        2.2128634159
 Pt         1.3884654807        2.4049789669        9.1816563894
 Pt         2.7729570440        3.2029929946       -0.1158628158
 Pt         2.7736382649        3.1986962552        6.8452424078
 Pt         1.3860136166        4.0038027473        4.5317253210
 Pt         4.1599940077        2.3980900301        2.2091504202
 Pt         4.1628804049        2.4050807122        9.1747994012
 Pt         5.5491704106        3.2041410686       -0.1140941623
 Pt         5.5491518783        3.1895211937        6.8313275672
 Pt         4.1601306668        4.0031041707        4.5223102836
 Pt         6.9387077797        2.3981572328        2.2094009996
 Pt         6.9364156521        2.4032882406        9.1732200164
 Pt         8.3251088683        3.2034663440       -0.1175268091
 Pt         8.3251798141        3.1973973511        6.8437010990
 Pt         6.9376642891        3.9997159741        4.5191938493
 Pt         9.7136431085        2.4018792867        2.2124355206
 Pt         9.7115547802        2.4030439951        9.1817951571
 Pt        11.0992762069        3.2033853621       -0.1158051703
 Pt        11.0984057736        3.2041118927        6.8527089802
 Pt         9.7123860240        4.0028677722        4.5301964018
 Pt        12.4871584470        2.4033381587        2.2144617957
 Pt        12.4860760445        2.4035926385        9.1780250745
 Pt        13.8731283956        3.2038459155       -0.1154987016
 Pt        13.8732805851        3.2035274655        6.8505650882
 Pt        12.4858802379        4.0045925344        4.5341295162
 Pt        -2.7747862107        4.8045227038        2.2137956451
 Pt        -2.7732955066        4.8046967292        9.1778073823
 Pt        -1.3871479568        5.6068772146       -0.1159771066
 Pt        -1.3868181704        5.6063608772        6.8510316740
 Pt        -2.7745106069        6.4068893411        4.5318465171
 Pt        -0.0015800321        4.8050050482        2.2133578676
 Pt         0.0015695412        4.8067641573        9.1813312428
 Pt         1.3865771178        5.6063860432       -0.1184474401
 Pt         1.3859829621        5.6064179254        6.8460124817
 Pt        -0.0011184551        6.4066073137        4.5317628325
 Pt         2.7719478390        4.8035450896        2.2096857722
 Pt         2.7750999013        4.8076717933        9.1661737249
 Pt         4.1606343026        5.6059071050       -0.1171417447
 Pt         4.1611802538        5.6011315683        6.8264837835
 Pt         2.7721721108        6.4068695609        4.5221217335
 Pt         5.5490493162        4.8019732361        2.2055557980
 Pt         5.5538200378        4.7987475941        9.1314538064
 Pt         6.9373160468        5.6062253638       -0.1189593633
 Pt         6.9390766339        5.5975072602        6.8113973974
 Pt         5.5479851263        6.4058159464        4.5068129091
 Pt         8.3268297472        4.8028142683        2.2071371250
 Pt         8.3294018433        4.8050358825        9.1591243678
 Pt         9.7128322347        5.6055920748       -0.1203391832
 Pt         9.7151251728        5.6062599282        6.8403957965
 Pt         8.3268577290        6.4065892857        4.5131387710
 Pt        11.1003497191        4.8047916742        2.2127118523
 Pt        11.1012972779        4.8051837186        9.1821003843
 Pt        12.4863850209        5.6065109012       -0.1162499400
 Pt        12.4863284833        5.6069684929        6.8515048430
 Pt        11.1002232830        6.4075157933        4.5304080007
 Pt        -4.1604465310        7.2067894855        2.2136694759
 Pt        -4.1570731923        7.2078048871        9.1844177228
 Pt        -2.7751212054        8.0107598862       -0.1165016765
 Pt        -2.7741671030        8.0089594280        6.8497861720
 Pt        -4.1605522378        8.8096098275        4.5310490511
 Pt        -1.3890911589        7.2068758194        2.2131881599
 Pt        -1.3881685973        7.2081578416        9.1801239603
 Pt        -0.0009106989        8.0091126814       -0.1132771857
 Pt        -0.0040144636        8.0113790791        6.8494567144
 Pt        -1.3863508977        8.8091322041        4.5301109772
 Pt         1.3841323517        7.2082982948        2.2115683901
 Pt         1.3822299643        7.2111466005        9.1710690487
 Pt         2.7732684555        8.0096997602       -0.1156027865
 Pt         2.7708483095        8.0115439124        6.8361874371
 Pt         1.3878983788        8.8093183922        4.5309790101
 Pt         4.1595182954        7.2084670596        2.2020317835
 Pt         4.1608943305        7.2229919114        9.1221951967
 Pt         5.5495611604        8.0111621998       -0.1221957117
 Pt         5.5503287827        8.0147900364        6.7992905207
 Pt         4.1578741364        8.8127665518        4.5115224569
 Pt         6.9381705398        7.2083532730        2.1984856299
 Pt         6.9630903836        7.2161014056        9.0837746663
 Pt         8.3257001141        8.0094238517       -0.1180415773
 Pt         8.3347252731        8.0141748868        6.8164559478
 Pt         6.9370351025        8.8127608304        4.5052664879
 Pt         9.7144110676        7.2078790902        2.2082128447
 Pt         9.7247160473        7.2102381648        9.1651637683
 Pt        11.0998823802        8.0091235159       -0.1142616318
 Pt        11.1060423037        8.0125262096        6.8485053048
 Pt         9.7135620604        8.8121673106        4.5250496812
 Pt        -5.5467855654        9.6123069765        2.2143513911
 Pt        -5.5439028067        9.6143356217        9.1823640941
 Pt        -4.1623912831       10.4117828489       -0.1176261060
 Pt        -4.1580725011       10.4142281914        6.8482429051
 Pt        -5.5484127517       11.2139769806        4.5300907553
 Pt        -2.7743847263        9.6103949334        2.2112671108
 Pt        -2.7732141300        9.6122003746        9.1794176770
 Pt        -1.3877649426       10.4125038817       -0.1207979729
 Pt        -1.3896664678       10.4134297350        6.8480531151
 Pt        -2.7739897655       11.2121315134        4.5263940359
 Pt        -0.0030916622        9.6121664869        2.2141326592
 Pt        -0.0018264098        9.6140717159        9.1808389763
 Pt         1.3859124003       10.4130748557       -0.1107835812
 Pt         1.3796536372       10.4178116062        6.8463187438
 Pt         0.0001123971       11.2124801980        4.5298639773
 Pt         2.7722438423        9.6138326187        2.2095278532
 Pt         2.7718801913        9.6209179833        9.1613959109
 Pt         4.1613294056       10.4139667473       -0.1185917484
 Pt         4.1574981342       10.4165935163        6.8337900544
 Pt         2.7741006087       11.2156877119        4.5291478659
 Pt         5.5485885431        9.6146919857        2.2009393218
 Pt         5.5549869481        9.6253393465        9.1304792801
 Pt         6.9375056201       10.4150738649       -0.1185735052
 Pt         6.9436456683       10.4176378999        6.8304013181
 Pt         5.5484635348       11.2153278012        4.5230787572
 Pt         8.3259464371        9.6139114862        2.2063236424
 Pt         8.3329136534        9.6186392711        9.1561187604
 Pt         9.7127934971       10.4131905891       -0.1142366621
 Pt         9.7218426306       10.4195902288        6.8456970612
 Pt         8.3243829336       11.2155703699        4.5280669848
 Pt        -6.9358520135       12.0166426550        2.2137393609
 Pt        -6.9341810477       12.0195282900        9.1831162830
 Pt        -5.5486887700       12.8146159515       -0.1176942687
 Pt        -5.5467321483       12.8182271435        6.8481787831
 Pt        -6.9373789152       13.6168928359        4.5302697777
 Pt        -4.1618302619       12.0138671951        2.2107037262
 Pt        -4.1606359917       12.0172093269        9.1773991386
 Pt        -2.7743484629       12.8153098814       -0.1189326387
 Pt        -2.7748449286       12.8145755530        6.8440919064
 Pt        -4.1624958127       13.6149538176        4.5246035693
 Pt        -1.3876248234       12.0135108893        2.2102340891
 Pt        -1.3882496566       12.0167566421        9.1773807774
 Pt        -0.0015156910       12.8148419778       -0.1186022037
 Pt        -0.0023342809       12.8175957199        6.8483835164
 Pt        -1.3867258912       13.6143899476        4.5257688574
 Pt         1.3862564042       12.0169780728        2.2134329444
 Pt         1.3855814512       12.0189750198        9.1808641750
 Pt         2.7735179747       12.8163243646       -0.1160041700
 Pt         2.7719052252       12.8182540413        6.8491126916
 Pt         1.3880716695       13.6163544046        4.5293813475
 Pt         4.1612484567       12.0181044089        2.2098911592
 Pt         4.1622021105       12.0207926934        9.1721590866
 Pt         5.5490752343       12.8166019059       -0.1183279582
 Pt         5.5498862023       12.8169745881        6.8474370021
 Pt         4.1621233101       13.6173433638        4.5314542447
 Pt         6.9367368762       12.0177163812        2.2101283147
 Pt         6.9395202571       12.0210746384        9.1729519156
 Pt         8.3250127614       12.8170290229       -0.1155509032
 Pt         8.3275338423       12.8192844287        6.8505838682
 Pt         6.9365647718       13.6170489819        4.5317075527
  O         5.5340107678        7.0849139111       11.7333690504
  H         6.4481520347        6.9420330997       11.4198502039
  H         5.0775135924        6.2843779092       11.4051965241
     183
 i =        7, E =    -21650.0031097710
 Pt        -0.0010047678        0.0020111634        2.2170181479
 Pt         0.0031667162        0.0039531349        9.1777876776
 Pt         1.3877928223        0.7996964054       -0.1145341938
 Pt         1.3871362739        0.8017883690        6.8470037080
 Pt        -0.0008809287        1.6020469588        4.5336270769
 Pt         2.7733563908       -0.0004857252        2.2105596360
 Pt         2.7762146640        0.0043663988        9.1737239026
 Pt         4.1624655687        0.8005242720       -0.1218793989
 Pt         4.1615988593        0.7984205054        6.8415298250
 Pt         2.7730489290        1.5998265051        4.5272558446
 Pt         5.5488832219       -0.0023615434        2.2079329086
 Pt         5.5493751438        0.0031711789        9.1699655814
 Pt         6.9359989332        0.8004410815       -0.1190736272
 Pt         6.9368236764        0.7967623548        6.8418988534
 Pt         5.5483319600        1.5946476595        4.5222528190
 Pt         8.3254103713       -0.0010112597        2.2115054593
 Pt         8.3225900152        0.0025029352        9.1766308789
 Pt         9.7101941702        0.7998542991       -0.1150807390
 Pt         9.7107778626        0.8005089416        6.8464850887
 Pt         8.3252990522        1.5982905126        4.5279417510
 Pt        11.0991665207        0.0020019553        2.2163991294
 Pt        11.0966935727        0.0023499713        9.1740660255
 Pt        12.4854890619        0.8006653368       -0.1103789230
 Pt        12.4861988720        0.8011729827        6.8483475454
 Pt        11.1001155110        1.6022322274        4.5340732988
 Pt        13.8732387431        0.0017440533        2.2178668860
 Pt        13.8742999932        0.0020011288        9.1736108720
 Pt        15.2600603503        0.8009124345       -0.1096338102
 Pt        15.2612229837        0.8010297599        6.8482774597
 Pt        13.8730174592        1.6035142564        4.5348548288
 Pt        -1.3889230577        2.4028538810        2.2189425994
 Pt        -1.3858342879        2.4052209885        9.1737001994
 Pt        -0.0011936288        3.2036146921       -0.1086585949
 Pt         0.0005265010        3.2045188511        6.8494056034
 Pt        -1.3876825474        4.0046556847        4.5345142195
 Pt         1.3849748588        2.4017669081        2.2164970525
 Pt         1.3899368087        2.4065840738        9.1760314104
 Pt         2.7725987998        3.2026498725       -0.1125372130
 Pt         2.7742095540        3.2008942139        6.8396986508
 Pt         1.3863754746        4.0039507671        4.5313136359
 Pt         4.1600371382        2.3969154311        2.2109599246
 Pt         4.1645542504        2.4082629216        9.1656127323
 Pt         5.5491809525        3.2038543391       -0.1128711753
 Pt         5.5499616629        3.1940675264        6.8248902130
 Pt         4.1607279940        4.0030731781        4.5193234478
 Pt         6.9385887963        2.3968699677        2.2111508866
 Pt         6.9371839516        2.4064656645        9.1645123226
 Pt         8.3255512639        3.2031554356       -0.1148128114
 Pt         8.3253164156        3.1993391752        6.8374238985
 Pt         6.9372026082        3.9997096345        4.5155644979
 Pt         9.7136029141        2.4011269715        2.2159055691
 Pt         9.7117190046        2.4041146578        9.1759511426
 Pt        11.0994774258        3.2029974160       -0.1111872417
 Pt        11.0986006446        3.2040949179        6.8497647946
 Pt         9.7119959039        4.0030433535        4.5285839014
 Pt        12.4871516607        2.4031304084        2.2180550019
 Pt        12.4863238229        2.4043522290        9.1750467848
 Pt        13.8730863535        3.2037003659       -0.1103436703
 Pt        13.8732025258        3.2034071416        6.8485076225
 Pt        12.4858361668        4.0043914882        4.5353801435
 Pt        -2.7748308062        4.8043886234        2.2180209838
 Pt        -2.7724208911        4.8063950202        9.1750566359
 Pt        -1.3874038488        5.6066857630       -0.1117497870
 Pt        -1.3866816331        5.6065187643        6.8490875385
 Pt        -2.7744277802        6.4059198580        4.5336306248
 Pt        -0.0018312878        4.8048910966        2.2177417207
 Pt         0.0040848474        4.8086281088        9.1760039041
 Pt         1.3856820595        5.6061398245       -0.1139816939
 Pt         1.3868415003        5.6070620513        6.8404813164
 Pt        -0.0016275817        6.4065155559        4.5318134373
 Pt         2.7719366922        4.8029534516        2.2114178334
 Pt         2.7775511334        4.8088559756        9.1597325974
 Pt         4.1600696413        5.6055244901       -0.1171972050
 Pt         4.1625461287        5.6041398144        6.8212990173
 Pt         2.7724140058        6.4076311188        4.5190075030
 Pt         5.5489395309        4.8009954621        2.2036996220
 Pt         5.5549346476        4.8018536243        9.1296307333
 Pt         6.9375972952        5.6057876879       -0.1204260185
 Pt         6.9390200739        5.6012772005        6.8063635098
 Pt         5.5484221631        6.4064330016        4.5019840327
 Pt         8.3265709308        4.8021439594        2.2073810447
 Pt         8.3285729676        4.8069532423        9.1500807896
 Pt         9.7135927355        5.6050921955       -0.1172675584
 Pt         9.7155937768        5.6067880991        6.8332755104
 Pt         8.3268701779        6.4076168435        4.5084392086
 Pt        11.1005303977        4.8046244802        2.2166257218
 Pt        11.1007040318        4.8067463521        9.1764228353
 Pt        12.4866661474        5.6060974537       -0.1122276501
 Pt        12.4867312659        5.6075409416        6.8495129422
 Pt        11.1010350777        6.4079437872        4.5291714127
 Pt        -4.1597968830        7.2066501680        2.2172028624
 Pt        -4.1581958679        7.2092118131        9.1793780252
 Pt        -2.7752146758        8.0101019547       -0.1133583702
 Pt        -2.7737813757        8.0096554753        6.8485114950
 Pt        -4.1592492998        8.8099060849        4.5315078633
 Pt        -1.3891898093        7.2065714519        2.2170194074
 Pt        -1.3855152274        7.2097003520        9.1758216207
 Pt        -0.0012125989        8.0090705271       -0.1098129150
 Pt        -0.0023594391        8.0116095414        6.8449074860
 Pt        -1.3872520970        8.8088695409        4.5310106276
 Pt         1.3836544146        7.2083751652        2.2140811434
 Pt         1.3864623083        7.2118402297        9.1636577658
 Pt         2.7728294274        8.0097124829       -0.1134204902
 Pt         2.7743342818        8.0109611009        6.8316211560
 Pt         1.3867339307        8.8097965021        4.5292984441
 Pt         4.1592677883        7.2082149757        2.2006185037
 Pt         4.1644133537        7.2207360002        9.1271389623
 Pt         5.5493496434        8.0112788910       -0.1236118184
 Pt         5.5511628981        8.0144868845        6.7976827609
 Pt         4.1580554651        8.8121873110        4.5084108948
 Pt         6.9382162273        7.2080963387        2.1950917954
 Pt         6.9590306458        7.2139632966        9.0921075828
 Pt         8.3259758097        8.0093522493       -0.1188612548
 Pt         8.3314320465        8.0130711993        6.8115051780
 Pt         6.9376659569        8.8121464721        4.5009598811
 Pt         9.7148405296        7.2079627947        2.2083236696
 Pt         9.7209390179        7.2106791967        9.1552499266
 Pt        11.1001833418        8.0086319573       -0.1112740875
 Pt        11.1050861737        8.0132871887        6.8425556875
 Pt         9.7150917786        8.8130827904        4.5211922673
 Pt        -5.5458724483        9.6125759310        2.2157956110
 Pt        -5.5458839213        9.6140021599        9.1753927172
 Pt        -4.1625295050       10.4112233002       -0.1144653013
 Pt        -4.1579061996       10.4147437749        6.8458318371
 Pt        -5.5467958471       11.2149277931        4.5291588871
 Pt        -2.7738902659        9.6099990597        2.2138671285
 Pt        -2.7724419593        9.6126804386        9.1763445047
 Pt        -1.3876191521       10.4120494131       -0.1178173414
 Pt        -1.3885873772       10.4135562076        6.8453737998
 Pt        -2.7735850651       11.2125020065        4.5252409663
 Pt        -0.0036920752        9.6122352286        2.2164474327
 Pt         0.0015945363        9.6143041693        9.1749711322
 Pt         1.3861451020       10.4131380040       -0.1083097354
 Pt         1.3821990048       10.4168847356        6.8418410222
 Pt        -0.0008465097       11.2130344717        4.5291462330
 Pt         2.7715650682        9.6141909408        2.2109627900
 Pt         2.7757735935        9.6189616298        9.1558404132
 Pt         4.1613709133       10.4143699125       -0.1164186095
 Pt         4.1596177487       10.4155299317        6.8284513071
 Pt         2.7734946896       11.2155367661        4.5277862064
 Pt         5.5484407268        9.6146161857        2.2002894632
 Pt         5.5555618865        9.6217907126        9.1292477073
 Pt         6.9372653901       10.4155167895       -0.1176206380
 Pt         6.9423323250       10.4167065603        6.8237824107
 Pt         5.5486853413       11.2140531838        4.5206042541
 Pt         8.3264666495        9.6142615522        2.2052670634
 Pt         8.3302388770        9.6166592490        9.1478077470
 Pt         9.7125931307       10.4132746351       -0.1120723656
 Pt         9.7202263467       10.4183668295        6.8393876617
 Pt         8.3255612964       11.2156763019        4.5249453889
 Pt        -6.9350581117       12.0171463080        2.2159223511
 Pt        -6.9340182636       12.0181271634        9.1765439937
 Pt        -5.5491619644       12.8146001140       -0.1151259002
 Pt        -5.5463988813       12.8181054339        6.8454440955
 Pt        -6.9378022468       13.6173808622        4.5312945267
 Pt        -4.1612208347       12.0141211305        2.2120036004
 Pt        -4.1603634976       12.0175595646        9.1734674020
 Pt        -2.7743923729       12.8152913399       -0.1174729713
 Pt        -2.7745916256       12.8150770692        6.8411225518
 Pt        -4.1626999381       13.6149001263        4.5240420831
 Pt        -1.3877528833       12.0135130840        2.2111175937
 Pt        -1.3878107834       12.0170342312        9.1729938038
 Pt        -0.0012709762       12.8147600042       -0.1163665346
 Pt        -0.0020559799       12.8172703715        6.8453772241
 Pt        -1.3865410431       13.6140672202        4.5246644556
 Pt         1.3856874427       12.0173862140        2.2161597559
 Pt         1.3869111060       12.0175949048        9.1749503443
 Pt         2.7736407368       12.8163527289       -0.1126265613
 Pt         2.7724852855       12.8178360763        6.8452774575
 Pt         1.3886655349       13.6167207864        4.5302832588
 Pt         4.1607799358       12.0183754512        2.2127413014
 Pt         4.1635869618       12.0186058566        9.1646516288
 Pt         5.5488874546       12.8170708820       -0.1144751514
 Pt         5.5503491162       12.8173703121        6.8426758516
 Pt         4.1625194227       13.6171457928        4.5314405229
 Pt         6.9368189651       12.0180314274        2.2125432252
 Pt         6.9396720371       12.0189432076        9.1653125630
 Pt         8.3247028795       12.8173299706       -0.1119189408
 Pt         8.3278637278       12.8187490035        6.8468846560
 Pt         6.9365393431       13.6167496851        4.5320379083
  O         5.5141140723        7.0779736170       11.7607917981
  H         6.4405393247        6.9554092803       11.4674182533
  H         5.0783730333        6.2579395867       11.4583794717
     183
 i =        8, E =    -21650.0024630152
 Pt        -0.0004047502        0.0025297582        2.2314118125
 Pt         0.0067860093        0.0030442897        9.1657397977
 Pt         1.3862890849        0.7987239542       -0.1053087826
 Pt         1.3898922346        0.8030139602        6.8417081175
 Pt        -0.0032135715        1.6026493284        4.5380452866
 Pt         2.7734032729       -0.0005982606        2.2166511227
 Pt         2.7815479044        0.0098779966        9.1563124045
 Pt         4.1620302624        0.8011068465       -0.1182927486
 Pt         4.1639386422        0.8057384263        6.8274508176
 Pt         2.7701292029        1.5975911019        4.5262354515
 Pt         5.5485020719       -0.0046770913        2.2086447670
 Pt         5.5511186408        0.0132014554        9.1495231099
 Pt         6.9365614878        0.8009514557       -0.1136743272
 Pt         6.9351016892        0.8023451833        6.8281394436
 Pt         5.5474443438        1.5885234557        4.5177771075
 Pt         8.3258126891       -0.0027198743        2.2178265313
 Pt         8.3196504779        0.0050591546        9.1600319402
 Pt         9.7107970678        0.7987806825       -0.1066765256
 Pt         9.7078993521        0.8002654775        6.8397547541
 Pt         8.3263344231        1.5949420175        4.5268958686
 Pt        11.0985639086        0.0021327206        2.2296964544
 Pt        11.0960386482       -0.0010372481        9.1593191298
 Pt        12.4838719451        0.7998491356       -0.0951344643
 Pt        12.4852448512        0.8014714877        6.8416849808
 Pt        11.1027049128        1.6033019412        4.5381588183
 Pt        13.8730003601        0.0019892145        2.2307105744
 Pt        13.8764330667       -0.0012450215        9.1574770223
 Pt        15.2597734124        0.8002371870       -0.0922151002
 Pt        15.2633952555        0.8010580706        6.8421362396
 Pt        13.8731176510        1.6030242099        4.5372394467
 Pt        -1.3894152285        2.4020531822        2.2318957901
 Pt        -1.3819114640        2.4099438610        9.1615987958
 Pt        -0.0017919162        3.2023025837       -0.0884810634
 Pt         0.0008707520        3.2051413364        6.8393691317
 Pt        -1.3872385000        4.0031354848        4.5390294003
 Pt         1.3846791891        2.3997700642        2.2295702787
 Pt         1.3965584749        2.4138001668        9.1543395131
 Pt         2.7709803075        3.2009983005       -0.1013973254
 Pt         2.7769248301        3.2104783636        6.8175125314
 Pt         1.3879131389        4.0045260338        4.5293828952
 Pt         4.1602311737        2.3916653998        2.2158629450
 Pt         4.1720982833        2.4224298220        9.1286545486
 Pt         5.5492229346        3.2024773838       -0.1116694093
 Pt         5.5535296148        3.2140201513        6.7985029013
 Pt         4.1632876972        4.0028121894        4.5054069255
 Pt         6.9380654692        2.3910881737        2.2157246988
 Pt         6.9406296600        2.4204229876        9.1294004154
 Pt         8.3274878352        3.2016608755       -0.1064225472
 Pt         8.3258900119        3.2077096515        6.8117350582
 Pt         6.9352335718        3.9993818071        4.4985465264
 Pt         9.7134794591        2.3977631161        2.2281702634
 Pt         9.7126090577        2.4088770602        9.1532664796
 Pt        11.1003521449        3.2011622699       -0.0941445354
 Pt        11.0994396526        3.2041003303        6.8394223529
 Pt         9.7103529914        4.0037468320        4.5211306930
 Pt        12.4871632897        2.4021881050        2.2313667580
 Pt        12.4876166143        2.4077642855        9.1654899850
 Pt        13.8728669023        3.2030082606       -0.0909727690
 Pt        13.8729406471        3.2029340983        6.8425182801
 Pt        12.4856462217        4.0034792178        4.5411151915
 Pt        -2.7750260455        4.8037468022        2.2339966296
 Pt        -2.7683828048        4.8139788195        9.1664753776
 Pt        -1.3885718961        5.6058228953       -0.0961044749
 Pt        -1.3860194308        5.6073119889        6.8433626728
 Pt        -2.7740655640        6.4017146515        4.5416530765
 Pt        -0.0030470993        4.8042489933        2.2341629323
 Pt         0.0151505792        4.8169145362        9.1555215840
 Pt         1.3817591607        5.6050216684       -0.0974705603
 Pt         1.3908026581        5.6100806286        6.8186637423
 Pt        -0.0038167400        6.4060292472        4.5321295418
 Pt         2.7718296794        4.8002784272        2.2159912449
 Pt         2.7886499944        4.8145009161        9.1339056249
 Pt         4.1575282851        5.6037636485       -0.1214894529
 Pt         4.1686552729        5.6174948014        6.7999367525
 Pt         2.7735244475        6.4108490794        4.5048266618
 Pt         5.5484791559        4.7965956218        2.1919018663
 Pt         5.5603504650        4.8164545618        9.1232087627
 Pt         6.9388002845        5.6038295986       -0.1311914642
 Pt         6.9390197266        5.6178135758        6.7846740821
 Pt         5.5503478332        6.4089192451        4.4790906284
 Pt         8.3255403597        4.7990952929        2.2050560591
 Pt         8.3252483680        4.8156357606        9.1125462088
 Pt         9.7169356598        5.6027728823       -0.1075567085
 Pt         9.7176817773        5.6093532769        6.8036647956
 Pt         8.3270762840        6.4120250590        4.4863657269
 Pt        11.1013946273        4.8037959785        2.2308075224
 Pt        11.0985536587        4.8136100845        9.1542797575
 Pt        12.4879417580        5.6042186612       -0.0975353230
 Pt        12.4885710532        5.6101022419        6.8434220431
 Pt        11.1045441271        6.4098290064        4.5235220910
 Pt        -4.1569037570        7.2060466646        2.2299043353
 Pt        -4.1627689071        7.2155469563        9.1605639466
 Pt        -2.7756267703        8.0071134102       -0.1026617947
 Pt        -2.7719698630        8.0127629102        6.8454923920
 Pt        -4.1534173511        8.8112290804        4.5333695455
 Pt        -1.3896880962        7.2052433201        2.2311071431
 Pt        -1.3737897595        7.2166901837        9.1601037304
 Pt        -0.0026021904        8.0088750560       -0.0982098909
 Pt         0.0049556105        8.0126802941        6.8277646414
 Pt        -1.3910772230        8.8077219586        4.5348558144
 Pt         1.3814254836        7.2087149578        2.2221134528
 Pt         1.4056317097        7.2151026828        9.1341829770
 Pt         2.7708535045        8.0097755090       -0.1076939570
 Pt         2.7897984368        8.0085384586        6.8135874732
 Pt         1.3815918893        8.8119197883        4.5214992204
 Pt         4.1580940352        7.2071063061        2.1906114517
 Pt         4.1817568995        7.2108104952        9.1526902555
 Pt         5.5484167541        8.0117332052       -0.1344652061
 Pt         5.5550606508        8.0130105507        6.7914281651
 Pt         4.1587023812        8.8096795256        4.4937747793
 Pt         6.9385023655        7.2069432202        2.1764323012
 Pt         6.9407800291        7.2045665280        9.1307318644
 Pt         8.3271476367        8.0089706541       -0.1268114632
 Pt         8.3173552797        8.0085232203        6.7901877001
 Pt         6.9406012690        8.8095203648        4.4803430724
 Pt         9.7168661950        7.2083667086        2.2055500447
 Pt         9.7045398227        7.2128131825        9.1140450938
 Pt        11.1015578317        8.0064622744       -0.1020158739
 Pt        11.1012130419        8.0166949935        6.8189682090
 Pt         9.7221158046        8.8172941168        4.5032670749
 Pt        -5.5417068960        9.6138381149        2.2192779887
 Pt        -5.5541659578        9.6127262591        9.1476367587
 Pt        -4.1630601515       10.4087683478       -0.1037756427
 Pt        -4.1569161721       10.4171343873        6.8374546328
 Pt        -5.5396879206       11.2191759370        4.5248202786
 Pt        -2.7716905856        9.6083280805        2.2225702963
 Pt        -2.7688992337        9.6150706892        9.1661350523
 Pt        -1.3870961222       10.4100859016       -0.1084455217
 Pt        -1.3839198721       10.4142284410        6.8360304770
 Pt        -2.7717500040       11.2140991071        4.5202636668
 Pt        -0.0063888442        9.6126148128        2.2238411158
 Pt         0.0165541460        9.6154718901        9.1522897220
 Pt         1.3870314364       10.4134169110       -0.1010176979
 Pt         1.3931765659       10.4129532691        6.8243245840
 Pt        -0.0049155855       11.2154214822        4.5258946936
 Pt         2.7684267336        9.6158673111        2.2141965270
 Pt         2.7931335614        9.6104455792        9.1338147140
 Pt         4.1614620659       10.4161252431       -0.1106634170
 Pt         4.1689787464       10.4109499646        6.8066655373
 Pt         2.7708277479       11.2149831147        4.5213376540
 Pt         5.5477696870        9.6143467977        2.1938509781
 Pt         5.5585053321        9.6059101263        9.1258029636
 Pt         6.9362434448       10.4175228561       -0.1174059757
 Pt         6.9368671772       10.4127567410        6.7959874373
 Pt         5.5496762283       11.2086946500        4.5090230270
 Pt         8.3288767658        9.6158379577        2.1971076246
 Pt         8.3187511586        9.6078076435        9.1131567408
 Pt         9.7118094281       10.4136199041       -0.1065586540
 Pt         9.7136345483       10.4133700181        6.8136412327
 Pt         8.3308058220       11.2161813882        4.5106021034
 Pt        -6.9314454536       12.0193805649        2.2225322508
 Pt        -6.9331476852       12.0122954276        9.1506330403
 Pt        -5.5511714583       12.8145379078       -0.1073114226
 Pt        -5.5448167719       12.8176963403        6.8357851404
 Pt        -6.9395959121       13.6195648921        4.5355940869
 Pt        -4.1584457700       12.0152297474        2.2149149461
 Pt        -4.1589882926       12.0192563765        9.1598181894
 Pt        -2.7745866310       12.8150750095       -0.1149875023
 Pt        -2.7734319329       12.8172608485        6.8301746968
 Pt        -4.1635715839       13.6146563724        4.5212349098
 Pt        -1.3883807824       12.0135018013        2.2122739098
 Pt        -1.3857802997       12.0184150793        9.1574616985
 Pt        -0.0002768685       12.8144149364       -0.1101957891
 Pt        -0.0008192652       12.8159164821        6.8345887465
 Pt        -1.3856871734       13.6126147865        4.5196340535
 Pt         1.3830386984       12.0191862723        2.2251025754
 Pt         1.3927418479       12.0118405158        9.1520794745
 Pt         2.7740705408       12.8164532460       -0.1010196309
 Pt         2.7750583364       12.8160874059        6.8310231263
 Pt         1.3912493822       13.6183451769        4.5340151725
 Pt         4.1586584597       12.0196203901        2.2223591426
 Pt         4.1698436128       12.0093211086        9.1347888185
 Pt         5.5480001008       12.8191286176       -0.1006611441
 Pt         5.5524264987       12.8189954140        6.8242516204
 Pt         4.1642829301       13.6163160947        4.5313877959
 Pt         6.9372631601       12.0194153142        2.2200966996
 Pt         6.9405563918       12.0099352678        9.1348459649
 Pt         8.3233820043       12.8186483422       -0.0993109250
 Pt         8.3293676063       12.8165306747        6.8331697207
 Pt         6.9364594927       13.6154646948        4.5334026036
  O         5.4197483855        7.0462370620       11.9195848719
  H         6.3943316656        7.0184815424       11.6960791399
  H         5.0876412946        6.1375950182       11.7083794717
     183
 i =        9, E =    -21650.0045791308
 Pt        -0.0004958860        0.0021369247        2.2225953070
 Pt         0.0055426476        0.0038154183        9.1734605678
 Pt         1.3869791860        0.7991802568       -0.1115538953
 Pt         1.3888680301        0.8026705720        6.8458943932
 Pt        -0.0019410750        1.6022679771        4.5365474434
 Pt         2.7738284663       -0.0007231299        2.2116698078
 Pt         2.7794573647        0.0071812932        9.1663350150
 Pt         4.1621556358        0.8005955325       -0.1232403476
 Pt         4.1629270879        0.8026966589        6.8346632478
 Pt         2.7718633060        1.5990291777        4.5262540988
 Pt         5.5487090234       -0.0038998958        2.2058743650
 Pt         5.5507771479        0.0081627947        9.1603676584
 Pt         6.9363341072        0.8004878103       -0.1191647012
 Pt         6.9362828873        0.8002584768        6.8350842346
 Pt         5.5478822110        1.5922332825        4.5179946291
 Pt         8.3252711739       -0.0021336121        2.2124318085
 Pt         8.3216808797        0.0039009629        9.1699622976
 Pt         9.7104593803        0.7992574984       -0.1126742059
 Pt         9.7094490615        0.8006217975        6.8443787001
 Pt         8.3256030128        1.5967931329        4.5263891287
 Pt        11.0987265816        0.0019808074        2.2213736102
 Pt        11.0967726457        0.0010122216        9.1683622387
 Pt        12.4845774923        0.8001466478       -0.1040973250
 Pt        12.4859201659        0.8013217134        6.8471107158
 Pt        11.1013103843        1.6027510198        4.5366137361
 Pt        13.8730973370        0.0016432479        2.2226883690
 Pt        13.8757420976        0.0010111513        9.1668801757
 Pt        15.2598349573        0.8004999167       -0.1020841214
 Pt        15.2625922177        0.8009840864        6.8473702035
 Pt        13.8730725336        1.6031005872        4.5369057328
 Pt        -1.3892466724        2.4023349616        2.2245201224
 Pt        -1.3834173160        2.4078152633        9.1698879387
 Pt        -0.0016133467        3.2029077203       -0.0995679316
 Pt         0.0010909821        3.2052488383        6.8463277232
 Pt        -1.3876902159        4.0036591218        4.5376615776
 Pt         1.3848714005        2.4004855993        2.2211865984
 Pt         1.3937483340        2.4101501277        9.1665709513
 Pt         2.7717357797        3.2015888943       -0.1096444340
 Pt         2.7759856779        3.2062464452        6.8286785365
 Pt         1.3870651610        4.0043283607        4.5293637666
 Pt         4.1602701248        2.3940354411        2.2098609378
 Pt         4.1687841446        2.4152219955        9.1468203826
 Pt         5.5492250488        3.2028765833       -0.1161070156
 Pt         5.5519405279        3.2042881039        6.8107077138
 Pt         4.1619698649        4.0035266910        4.5097191005
 Pt         6.9381822958        2.3936917925        2.2097541645
 Pt         6.9393805202        2.4131241471        9.1466102382
 Pt         8.3264652289        3.2020846545       -0.1137641812
 Pt         8.3258985056        3.2038737577        6.8239749085
 Pt         6.9364870081        4.0000780908        4.5038011208
 Pt         9.7133298226        2.3991982282        2.2197912507
 Pt         9.7125980944        2.4064145329        9.1658031104
 Pt        11.0999408916        3.2018851513       -0.1040399614
 Pt        11.0990366493        3.2045276033        6.8461508986
 Pt         9.7114613851        4.0035704621        4.5233003710
 Pt        12.4870742775        2.4025461368        2.2236431716
 Pt        12.4875803420        2.4061379926        9.1726226918
 Pt        13.8728805252        3.2031599417       -0.1019690357
 Pt        13.8732278482        3.2035224657        6.8485860727
 Pt        12.4858282815        4.0039064025        4.5386058281
 Pt        -2.7749917860        4.8039796493        2.2251335302
 Pt        -2.7698863321        4.8108520646        9.1729746223
 Pt        -1.3881125543        5.6060141364       -0.1049214046
 Pt        -1.3858748161        5.6073479364        6.8484696258
 Pt        -2.7742543441        6.4041043783        4.5385134930
 Pt        -0.0024981632        4.8044946481        2.2241734821
 Pt         0.0098461880        4.8131098158        9.1669630017
 Pt         1.3839476938        5.6055160465       -0.1081343792
 Pt         1.3899124910        5.6088459572        6.8302823151
 Pt        -0.0025250506        6.4060947882        4.5316978242
 Pt         2.7721499581        4.8016818899        2.2102010370
 Pt         2.7833762862        4.8121968492        9.1472962848
 Pt         4.1588467265        5.6046066988       -0.1233777646
 Pt         4.1660595989        5.6107710199        6.8112322834
 Pt         2.7733539016        6.4093083167        4.5102814572
 Pt         5.5488099921        4.7988995300        2.1936402965
 Pt         5.5583154889        4.8090455664        9.1276295928
 Pt         6.9379357368        5.6047540635       -0.1307787642
 Pt         6.9391510149        5.6090726039        6.7953106567
 Pt         5.5496027153        6.4079207496        4.4877620480
 Pt         8.3258910695        4.8006525860        2.2021615913
 Pt         8.3277366299        4.8115172129        9.1325052468
 Pt         9.7148812422        5.6037252934       -0.1151990625
 Pt         9.7159501816        5.6084057737        6.8182822831
 Pt         8.3270335817        6.4098087898        4.4939674788
 Pt        11.1008711167        4.8042492354        2.2212178954
 Pt        11.1003693537        4.8104155707        9.1660373001
 Pt        12.4873141028        5.6048572208       -0.1061205401
 Pt        12.4875322377        5.6091859706        6.8481083632
 Pt        11.1026356774        6.4089636334        4.5249625634
 Pt        -4.1582480142        7.2065759828        2.2215737552
 Pt        -4.1596962610        7.2134044700        9.1712746644
 Pt        -2.7753451499        8.0083233577       -0.1098656959
 Pt        -2.7726286640        8.0117146837        6.8487745612
 Pt        -4.1562862708        8.8108270988        4.5320075464
 Pt        -1.3895625198        7.2059671207        2.2226521336
 Pt        -1.3795238699        7.2141965604        9.1699480417
 Pt        -0.0020154439        8.0089242908       -0.1060093194
 Pt         0.0021019103        8.0118989645        6.8376747930
 Pt        -1.3888029896        8.8083834785        4.5329809315
 Pt         1.3825794065        7.2086436327        2.2150294891
 Pt         1.3966019034        7.2135885639        9.1496293860
 Pt         2.7718769100        8.0096723606       -0.1144239026
 Pt         2.7823206290        8.0101387919        6.8227093596
 Pt         1.3846579463        8.8106215261        4.5242836876
 Pt         4.1589143909        7.2076029745        2.1920675223
 Pt         4.1741183437        7.2158442244        9.1443671894
 Pt         5.5487389000        8.0111921115       -0.1337169566
 Pt         5.5532461349        8.0137636201        6.7949831289
 Pt         4.1588660650        8.8109670960        4.4988726552
 Pt         6.9383718128        7.2074086614        2.1811806803
 Pt         6.9513535775        7.2099608726        9.1121429666
 Pt         8.3263669002        8.0089325847       -0.1279208747
 Pt         8.3260623069        8.0118865346        6.7983645325
 Pt         6.9389865759        8.8108876571        4.4875608119
 Pt         9.7158692063        7.2084184298        2.2031448975
 Pt         9.7133469555        7.2118821718        9.1354204191
 Pt        11.1008428380        8.0074925100       -0.1096433649
 Pt        11.1029851037        8.0146256329        6.8309565666
 Pt         9.7186018667        8.8151418745        4.5097800086
 Pt        -5.5434565148        9.6133843569        2.2144542241
 Pt        -5.5497715711        9.6137436879        9.1617151133
 Pt        -4.1626202303       10.4098160487       -0.1120442734
 Pt        -4.1575311916       10.4160490026        6.8426756196
 Pt        -5.5432893988       11.2169837485        4.5259763482
 Pt        -2.7727307853        9.6095844814        2.2159466040
 Pt        -2.7703317144        9.6148399601        9.1732767007
 Pt        -1.3875291186       10.4108729856       -0.1157326771
 Pt        -1.3857890958       10.4140546720        6.8421879330
 Pt        -2.7724993951       11.2134087575        4.5235751592
 Pt        -0.0051648183        9.6125492150        2.2176906788
 Pt         0.0094553497        9.6152360766        9.1646587979
 Pt         1.3863160080       10.4133466730       -0.1073298206
 Pt         1.3884261155       10.4147229977        6.8335478301
 Pt        -0.0025171704       11.2140394634        4.5269289982
 Pt         2.7697433669        9.6148456916        2.2091537141
 Pt         2.7849547018        9.6149856034        9.1458742921
 Pt         4.1611994730       10.4151255409       -0.1167185904
 Pt         4.1646482265       10.4131384230        6.8176159473
 Pt         2.7724916972       11.2150921710        4.5234319624
 Pt         5.5481603738        9.6139775415        2.1932088037
 Pt         5.5576807955        9.6143629574        9.1286927162
 Pt         6.9367092080       10.4164341456       -0.1211385719
 Pt         6.9399260649       10.4145300300        6.8097655105
 Pt         5.5493532512       11.2116732336        4.5125519027
 Pt         8.3280191606        9.6148154636        2.1968615904
 Pt         8.3248623953        9.6122322379        9.1316804158
 Pt         9.7123086285       10.4133333739       -0.1131162169
 Pt         9.7167016587       10.4158985563        6.8261014374
 Pt         8.3280496896       11.2156217792        4.5165106897
 Pt        -6.9328935942       12.0182091519        2.2162299206
 Pt        -6.9332626563       12.0155828480        9.1643907109
 Pt        -5.5502187536       12.8147264435       -0.1140526106
 Pt        -5.5453731701       12.8180139233        6.8416499748
 Pt        -6.9383340397       13.6183760278        4.5332795733
 Pt        -4.1596332851       12.0147269919        2.2108270191
 Pt        -4.1592314060       12.0187964185        9.1682325759
 Pt        -2.7745739363       12.8150646609       -0.1190289831
 Pt        -2.7738219897       12.8166513463        6.8369830324
 Pt        -4.1629644555       13.6149728369        4.5226355890
 Pt        -1.3880771678       12.0135747447        2.2091164405
 Pt        -1.3863378593       12.0181523878        9.1669883076
 Pt        -0.0007618872       12.8146532195       -0.1160645671
 Pt        -0.0012461879       12.8167629494        6.8411525010
 Pt        -1.3861189574       13.6134604980        4.5223075668
 Pt         1.3841329166       12.0182589425        2.2179420477
 Pt         1.3901212747       12.0151668975        9.1647581893
 Pt         2.7737116831       12.8164342379       -0.1090692053
 Pt         2.7740870043       12.8169461213        6.8391758513
 Pt         1.3898041373       13.6174588650        4.5317878981
 Pt         4.1595044826       12.0186426118        2.2145473766
 Pt         4.1670855975       12.0145290377        9.1499759730
 Pt         5.5482693835       12.8178720467       -0.1096327372
 Pt         5.5515697753       12.8176780240        6.8340113594
 Pt         4.1634942336       13.6167357830        4.5311751353
 Pt         6.9372975754       12.0182615497        2.2129473328
 Pt         6.9406828483       12.0151174856        9.1499094906
 Pt         8.3239411323       12.8180186689       -0.1078343070
 Pt         8.3286695028       12.8176543999        6.8407659003
 Pt         6.9367357533       13.6160092018        4.5322047304
  O         5.4559838902        7.0528484299       11.8597715439
  H         6.4078371804        6.9889046311       11.6146941308
  H         5.0839402982        6.1851995729       11.6246629069
     183
 i =       10, E =    -21650.0051938689
 Pt        -0.0002151860        0.0017572060        2.2202586526
 Pt         0.0059087724        0.0042782089        9.1750673974
 Pt         1.3870194531        0.7992173013       -0.1128097793
 Pt         1.3890789430        0.8028540984        6.8470595780
 Pt        -0.0016116252        1.6020569006        4.5369326804
 Pt         2.7743702842       -0.0010827906        2.2098246510
 Pt         2.7796123259        0.0065733448        9.1683713151
 Pt         4.1620368243        0.8001329651       -0.1262835338
 Pt         4.1630763031        0.8025100665        6.8354121090
 Pt         2.7723607831        1.5997943723        4.5251367067
 Pt         5.5487514623       -0.0040826457        2.2036726001
 Pt         5.5514024911        0.0070460594        9.1620431056
 Pt         6.9362894182        0.8000158141       -0.1224058862
 Pt         6.9369468435        0.8003784469        6.8356055882
 Pt         5.5479893582        1.5938926564        4.5159237257
 Pt         8.3247753398       -0.0024100955        2.2104518440
 Pt         8.3229034061        0.0037532512        9.1720581563
 Pt         9.7103671793        0.7992814517       -0.1141753317
 Pt         9.7099386004        0.8010306386        6.8453821819
 Pt         8.3254742403        1.5976135364        4.5246322389
 Pt        11.0985242836        0.0017079994        2.2191542221
 Pt        11.0975900839        0.0018292574        9.1705856462
 Pt        12.4846843571        0.8000793477       -0.1060370842
 Pt        12.4862818282        0.8014149253        6.8489695443
 Pt        11.1011093427        1.6025875414        4.5367803203
 Pt        13.8731434464        0.0012518822        2.2205237653
 Pt        13.8761492887        0.0021503886        9.1688104689
 Pt        15.2597056280        0.8004493154       -0.1040942441
 Pt        15.2627281330        0.8010729383        6.8491786755
 Pt        13.8730712894        1.6030037965        4.5378993401
 Pt        -1.3892115737        2.4021868491        2.2233067656
 Pt        -1.3831659834        2.4077140406        9.1725907709
 Pt        -0.0016342348        3.2029509568       -0.1019364761
 Pt         0.0015881305        3.2056069181        6.8483355666
 Pt        -1.3879812885        4.0036271907        4.5385376891
 Pt         1.3850867677        2.4004656658        2.2187560584
 Pt         1.3936841986        2.4093980203        9.1690109132
 Pt         2.7719302551        3.2014936100       -0.1130177873
 Pt         2.7763512993        3.2059899579        6.8302840524
 Pt         1.3867018513        4.0043630274        4.5282781851
 Pt         4.1604290381        2.3945051248        2.2058140115
 Pt         4.1687991562        2.4137941572        9.1491671551
 Pt         5.5491775708        3.2026222993       -0.1205022734
 Pt         5.5520052700        3.2034803960        6.8114307097
 Pt         4.1617253260        4.0045660095        4.5081451064
 Pt         6.9379887801        2.3941826541        2.2055110839
 Pt         6.9397239740        2.4115525177        9.1484782112
 Pt         8.3260486522        3.2019004552       -0.1174205353
 Pt         8.3260583881        3.2038346413        6.8254594942
 Pt         6.9370178692        4.0009189696        4.5020412501
 Pt         9.7130893489        2.3993247916        2.2169315765
 Pt         9.7131821864        2.4060160434        9.1680423801
 Pt        11.0997265121        3.2018355453       -0.1065588584
 Pt        11.0989501192        3.2049855075        6.8476823482
 Pt         9.7119918983        4.0036694777        4.5217140726
 Pt        12.4869674651        2.4024399604        2.2221627350
 Pt        12.4882578773        2.4061357299        9.1749163653
 Pt        13.8727813431        3.2029488461       -0.1042993527
 Pt        13.8735015104        3.2040272817        6.8514054226
 Pt        12.4860919869        4.0038589686        4.5388787373
 Pt        -2.7750411556        4.8040399138        2.2236144695
 Pt        -2.7696585108        4.8109002894        9.1750320383
 Pt        -1.3880460431        5.6058214694       -0.1065074816
 Pt        -1.3854186864        5.6078988759        6.8503200891
 Pt        -2.7742000079        6.4047490776        4.5388666001
 Pt        -0.0024045030        4.8045256078        2.2215083366
 Pt         0.0089901413        4.8126977322        9.1693103991
 Pt         1.3846865822        5.6056033832       -0.1117074679
 Pt         1.3907612859        5.6089803619        6.8324571926
 Pt        -0.0020737890        6.4058969756        4.5311806262
 Pt         2.7723889752        4.8020581096        2.2062989983
 Pt         2.7830718032        4.8120591295        9.1496010620
 Pt         4.1592707071        5.6047118173       -0.1273666502
 Pt         4.1665235570        5.6101917572        6.8135663703
 Pt         2.7737475048        6.4089833258        4.5099759712
 Pt         5.5489823456        4.7995464202        2.1901640259
 Pt         5.5589203194        4.8081459621        9.1284201148
 Pt         6.9373288331        5.6048752265       -0.1352235397
 Pt         6.9393522130        5.6079587722        6.7963016212
 Pt         5.5496726115        6.4080185652        4.4875944568
 Pt         8.3257711194        4.8010326601        2.1976498438
 Pt         8.3289185806        4.8108079870        9.1356510138
 Pt         9.7140228035        5.6037899473       -0.1185803958
 Pt         9.7150697850        5.6086066450        6.8202614012
 Pt         8.3269637261        6.4092369771        4.4924824733
 Pt        11.1007458488        4.8043773417        2.2179882327
 Pt        11.1015819008        4.8100884741        9.1677611214
 Pt        12.4870591027        5.6047485877       -0.1080616602
 Pt        12.4872404747        5.6094299177        6.8491413482
 Pt        11.1022257591        6.4087490985        4.5234409981
 Pt        -4.1584103603        7.2070450399        2.2189952166
 Pt        -4.1583089391        7.2139017868        9.1730447520
 Pt        -2.7753093028        8.0082961513       -0.1117033926
 Pt        -2.7725074715        8.0119906896        6.8499202379
 Pt        -4.1567445758        8.8109394185        4.5310107190
 Pt        -1.3895941909        7.2063828635        2.2206904833
 Pt        -1.3805580178        7.2146917681        9.1726480811
 Pt        -0.0019898038        8.0088250721       -0.1085998851
 Pt         0.0022619907        8.0118899878        6.8396316164
 Pt        -1.3878966876        8.8086568077        4.5324247431
 Pt         1.3829101312        7.2085940437        2.2118201960
 Pt         1.3955769636        7.2136610300        9.1528439347
 Pt         2.7721153364        8.0095223919       -0.1185455963
 Pt         2.7824714209        8.0100889761        6.8254540949
 Pt         1.3860672236        8.8100059000        4.5231136141
 Pt         4.1592476938        7.2076666295        2.1894957589
 Pt         4.1753290057        7.2165599681        9.1465508070
 Pt         5.5486931308        8.0107000771       -0.1374158690
 Pt         5.5535509515        8.0133375238        6.7958797520
 Pt         4.1593534500        8.8112579808        4.4983067303
 Pt         6.9384086498        7.2074748667        2.1784519633
 Pt         6.9536610257        7.2108389746        9.1096466951
 Pt         8.3258863316        8.0086896819       -0.1327487661
 Pt         8.3273961092        8.0123731263        6.7984402959
 Pt         6.9384429387        8.8112168904        4.4862593955
 Pt         9.7156350001        7.2086819299        2.1990436813
 Pt         9.7157627614        7.2120490968        9.1386829370
 Pt        11.1006446446        8.0076611990       -0.1132066804
 Pt        11.1033390886        8.0141658196        6.8325395827
 Pt         9.7178239528        8.8147261431        4.5084613769
 Pt        -5.5435331748        9.6135654984        2.2111297994
 Pt        -5.5483759829        9.6145808306        9.1635678613
 Pt        -4.1624580750       10.4098581599       -0.1153855957
 Pt        -4.1575952534       10.4160341838        6.8435491828
 Pt        -5.5440721502       11.2165914185        4.5246921319
 Pt        -2.7728346905        9.6103800746        2.2140038930
 Pt        -2.7702439980        9.6158357795        9.1751064993
 Pt        -1.3878390269       10.4108953323       -0.1185595751
 Pt        -1.3857519826       10.4142845607        6.8439012782
 Pt        -2.7724337071       11.2133837824        4.5244841800
 Pt        -0.0050624132        9.6126718572        2.2149903886
 Pt         0.0083698356        9.6157790149        9.1671801631
 Pt         1.3858762136       10.4133049894       -0.1105398346
 Pt         1.3881188883       10.4149776400        6.8350863270
 Pt        -0.0016079120       11.2135740631        4.5263826474
 Pt         2.7699480379        9.6143807392        2.2052819170
 Pt         2.7838907958        9.6161655483        9.1480585351
 Pt         4.1609630047       10.4145652144       -0.1205542527
 Pt         4.1643763756       10.4132009712        6.8190312420
 Pt         2.7733095182       11.2149964980        4.5220879858
 Pt         5.5483446828        9.6134781828        2.1899819291
 Pt         5.5582516506        9.6163107442        9.1290631903
 Pt         6.9367244909       10.4158637265       -0.1249515437
 Pt         6.9407166312       10.4144052483        6.8112701872
 Pt         5.5494999402       11.2124793596        4.5114082868
 Pt         8.3281153676        9.6143989529        2.1928295314
 Pt         8.3267607804        9.6131624606        9.1343675317
 Pt         9.7125124496       10.4131561802       -0.1172696295
 Pt         9.7173518596       10.4164741163        6.8278613591
 Pt         8.3273638611       11.2153079557        4.5157687056
 Pt        -6.9328952548       12.0177145124        2.2131023153
 Pt        -6.9328787190       12.0166660419        9.1665578939
 Pt        -5.5500373227       12.8148082156       -0.1167969186
 Pt        -5.5453299320       12.8181201584        6.8427807041
 Pt        -6.9378518103       13.6180348678        4.5322434470
 Pt        -4.1595570566       12.0146147620        2.2089303848
 Pt        -4.1588795838       12.0190126944        9.1700736517
 Pt        -2.7746418190       12.8149232009       -0.1219271110
 Pt        -2.7736382560       12.8167699987        6.8388887837
 Pt        -4.1626372327       13.6151631292        4.5226200373
 Pt        -1.3881416126       12.0135519888        2.2073023742
 Pt        -1.3857809137       12.0185085869        9.1694251776
 Pt        -0.0009671599       12.8147381624       -0.1189519734
 Pt        -0.0009549522       12.8171180571        6.8426412558
 Pt        -1.3861736015       13.6136768321        4.5226457900
 Pt         1.3841331277       12.0178730325        2.2149813083
 Pt         1.3899965198       12.0163037951        9.1672697835
 Pt         2.7734735400       12.8163022678       -0.1118601818
 Pt         2.7741229661       12.8170688691        6.8406165811
 Pt         1.3895310986       13.6171471164        4.5308586869
 Pt         4.1596165685       12.0180828406        2.2111766671
 Pt         4.1668987036       12.0160872232        9.1524168339
 Pt         5.5481428139       12.8172565681       -0.1122840536
 Pt         5.5516243400       12.8171049921        6.8354970770
 Pt         4.1634117531       13.6169404119        4.5306462091
 Pt         6.9375491472       12.0175700240        2.2095230660
 Pt         6.9413784268       12.0167988379        9.1519716635
 Pt         8.3240180176       12.8177245462       -0.1108296234
 Pt         8.3287555820       12.8178898941        6.8416426356
 Pt         6.9369949127       13.6162319964        4.5312874385
  O         5.4477108935        7.0536850456       11.8692327879
  H         6.3966464376        6.9884301394       11.6367831183
  H         5.0928054787        6.1727973398       11.6506546655
     183
 i =       11, E =    -21650.0059394875
 Pt         0.0003249151        0.0006241829        2.2137899777
 Pt         0.0067648882        0.0056276228        9.1778756749
 Pt         1.3869246875        0.7991750409       -0.1154131007
 Pt         1.3901041102        0.8031915633        6.8488804638
 Pt        -0.0004661268        1.6017378996        4.5369213865
 Pt         2.7758548283       -0.0018331968        2.2048022387
 Pt         2.7801892066        0.0054172711        9.1735018033
 Pt         4.1617815887        0.7984569509       -0.1355019592
 Pt         4.1639769025        0.8019093643        6.8367799398
 Pt         2.7740083857        1.6020183251        4.5217993716
 Pt         5.5488910129       -0.0040118410        2.1983903516
 Pt         5.5532472100        0.0043876425        9.1676879107
 Pt         6.9359678392        0.7983477600       -0.1317419264
 Pt         6.9384745420        0.8005421980        6.8361911952
 Pt         5.5484386666        1.5986099412        4.5107210276
 Pt         8.3234057115       -0.0028904064        2.2050406961
 Pt         8.3264133723        0.0038420031        9.1760645964
 Pt         9.7101060452        0.7991735397       -0.1178726517
 Pt         9.7112287583        0.8020267498        6.8471629191
 Pt         8.3251843077        1.5999976480        4.5200103867
 Pt        11.0980836865        0.0007025576        2.2132578559
 Pt        11.1002776715        0.0041182011        9.1759612433
 Pt        12.4849975071        0.7998512093       -0.1111151168
 Pt        12.4870245570        0.8015816284        6.8530971532
 Pt        11.1004420890        1.6021984283        4.5361399674
 Pt        13.8733416191        0.0005185234        2.2150354949
 Pt        13.8774751556        0.0048170789        9.1739851768
 Pt        15.2593375072        0.8002541336       -0.1096455945
 Pt        15.2632921362        0.8014061008        6.8531076100
 Pt        13.8732404336        1.6029362378        4.5402227774
 Pt        -1.3890731306        2.4019366433        2.2204237492
 Pt        -1.3821860078        2.4077856441        9.1794810794
 Pt        -0.0016153107        3.2030626916       -0.1089967106
 Pt         0.0033469535        3.2066845743        6.8530471111
 Pt        -1.3882510482        4.0037845408        4.5401028734
 Pt         1.3856862128        2.4008218808        2.2119863739
 Pt         1.3938488183        2.4080913352        9.1741817955
 Pt         2.7725086362        3.2012197073       -0.1222392354
 Pt         2.7777845760        3.2050124835        6.8342621974
 Pt         1.3862582199        4.0046282617        4.5256522411
 Pt         4.1610199686        2.3966664980        2.1946955513
 Pt         4.1688381302        2.4096680077        9.1577231453
 Pt         5.5488159330        3.2019271314       -0.1341177465
 Pt         5.5521621290        3.2009076445        6.8143654628
 Pt         4.1611358852        4.0070837207        4.5048954839
 Pt         6.9374109052        2.3962252908        2.1936181574
 Pt         6.9407011100        2.4070011606        9.1554192641
 Pt         8.3245267986        3.2014401465       -0.1295251616
 Pt         8.3262317276        3.2032763574        6.8287127148
 Pt         6.9383431799        4.0030885007        4.4978568206
 Pt         9.7124381039        2.4000058423        2.2090215414
 Pt         9.7150143486        2.4055197262        9.1728460158
 Pt        11.0989919709        3.2017566723       -0.1130196832
 Pt        11.0986048067        3.2061513962        6.8509625166
 Pt         9.7130556335        4.0040362667        4.5186175933
 Pt        12.4869854658        2.4021835057        2.2182589989
 Pt        12.4900247351        2.4065650436        9.1801109430
 Pt        13.8725340036        3.2025182694       -0.1096137376
 Pt        13.8744158073        3.2054303148        6.8580401610
 Pt        12.4865372633        4.0039351316        4.5387395068
 Pt        -2.7750139950        4.8042378933        2.2194526913
 Pt        -2.7689285849        4.8109710890        9.1798027846
 Pt        -1.3878262097        5.6053376394       -0.1101602166
 Pt        -1.3840465201        5.6097153256        6.8546417935
 Pt        -2.7739290769        6.4065440784        4.5378143602
 Pt        -0.0022415439        4.8045184451        2.2142980854
 Pt         0.0073236895        4.8118347095        9.1745747914
 Pt         1.3865215046        5.6059503626       -0.1206287093
 Pt         1.3926074329        5.6095193278        6.8388688635
 Pt        -0.0005277083        6.4056205186        4.5301224688
 Pt         2.7729805754        4.8033151894        2.1960940851
 Pt         2.7826062405        4.8113550333        9.1564966207
 Pt         4.1604009190        5.6048487762       -0.1394065395
 Pt         4.1672801743        5.6081078741        6.8202673052
 Pt         2.7746828464        6.4082720078        4.5105550649
 Pt         5.5492590405        4.8014556101        2.1819321387
 Pt         5.5608255728        4.8044620958        9.1298919243
 Pt         6.9354627769        5.6051120865       -0.1461913928
 Pt         6.9403867864        5.6048045472        6.7991373837
 Pt         5.5497102986        6.4083049998        4.4880150720
 Pt         8.3257671583        4.8021893507        2.1864831066
 Pt         8.3323499105        4.8086112496        9.1447897095
 Pt         9.7117148371        5.6041404753       -0.1313215424
 Pt         9.7138082578        5.6092472346        6.8248095768
 Pt         8.3272344515        6.4083205275        4.4894901590
 Pt        11.1004980582        4.8047480653        2.2093378530
 Pt        11.1047490623        4.8093766409        9.1714458130
 Pt        12.4863664150        5.6045636269       -0.1126839760
 Pt        12.4866574201        5.6102619886        6.8511636035
 Pt        11.1008917844        6.4084292449        4.5201525403
 Pt        -4.1591382536        7.2081953429        2.2119868399
 Pt        -4.1549134380        7.2145527303        9.1772952388
 Pt        -2.7753508771        8.0083392101       -0.1154052062
 Pt        -2.7719377856        8.0126875005        6.8516819552
 Pt        -4.1585847856        8.8109126470        4.5282792831
 Pt        -1.3894496023        7.2075270243        2.2153054225
 Pt        -1.3825094970        7.2155135985        9.1781385075
 Pt        -0.0020069935        8.0084869929       -0.1160127975
 Pt         0.0033584988        8.0123247692        6.8451495227
 Pt        -1.3848956282        8.8092536485        4.5309998610
 Pt         1.3839171228        7.2083338445        2.2035156119
 Pt         1.3925505953        7.2140013043        9.1629534472
 Pt         2.7727096254        8.0089637709       -0.1312456020
 Pt         2.7828629080        8.0097336637        6.8343903545
 Pt         1.3906651940        8.8082174464        4.5217563709
 Pt         4.1599004505        7.2078079442        2.1827985959
 Pt         4.1779492777        7.2187407836        9.1512778586
 Pt         5.5485737463        8.0095115377       -0.1469495225
 Pt         5.5544533357        8.0128226211        6.7988857320
 Pt         4.1605121268        8.8116213307        4.4980508972
 Pt         6.9385763514        7.2077396846        2.1714222694
 Pt         6.9604705522        7.2133000154        9.1023095973
 Pt         8.3244317039        8.0082771960       -0.1442941363
 Pt         8.3304961382        8.0131432676        6.8008250467
 Pt         6.9373989308        8.8117332070        4.4838779858
 Pt         9.7150495192        7.2091643228        2.1879421992
 Pt         9.7231579519        7.2126753476        9.1482085435
 Pt        11.1001617221        8.0081578235       -0.1235697811
 Pt        11.1037043143        8.0135581540        6.8364953624
 Pt         9.7148390187        8.8129349974        4.5057199436
 Pt        -5.5441909996        9.6138631608        2.2025063392
 Pt        -5.5439941211        9.6168222295        9.1683553472
 Pt        -4.1620230382       10.4102002032       -0.1242514386
 Pt        -4.1575195858       10.4159319738        6.8447492480
 Pt        -5.5466754278       11.2150242408        4.5220034907
 Pt        -2.7730581706        9.6122634694        2.2093877529
 Pt        -2.7697689548        9.6179737464        9.1788157596
 Pt        -1.3888408579       10.4112540982       -0.1277666775
 Pt        -1.3854259218       10.4149030574        6.8473432883
 Pt        -2.7722905449       11.2134098303        4.5262494973
 Pt        -0.0042080350        9.6127569764        2.2083053012
 Pt         0.0055171569        9.6169919850        9.1735327533
 Pt         1.3845214701       10.4129832600       -0.1196861312
 Pt         1.3872441764       10.4154233028        6.8384847845
 Pt         0.0014031033       11.2121578012        4.5252560924
 Pt         2.7711129647        9.6130389121        2.1955215584
 Pt         2.7808242027        9.6197559220        9.1542282299
 Pt         4.1603433367       10.4126362027       -0.1318280561
 Pt         4.1634479833       10.4135486265        6.8229828711
 Pt         2.7756378860       11.2146611200        4.5189995711
 Pt         5.5487819798        9.6127331907        2.1818558899
 Pt         5.5601281007        9.6221606345        9.1288297414
 Pt         6.9367914689       10.4139516536       -0.1369031508
 Pt         6.9432161702       10.4145914158        6.8152319045
 Pt         5.5498665713       11.2144560521        4.5093183931
 Pt         8.3277676674        9.6131955428        2.1840260923
 Pt         8.3324777835        9.6163003215        9.1415640259
 Pt         9.7129274056       10.4126496464       -0.1311570458
 Pt         9.7193407384       10.4176626813        6.8317311839
 Pt         8.3256493995       11.2145400330        4.5132853416
 Pt        -6.9330659887       12.0160110381        2.2048954262
 Pt        -6.9317930800       12.0197009436        9.1714720625
 Pt        -5.5494227569       12.8146504181       -0.1245667801
 Pt        -5.5449535543       12.8186141415        6.8447089782
 Pt        -6.9365671059       13.6173862538        4.5290523824
 Pt        -4.1594079287       12.0143461101        2.2037367584
 Pt        -4.1578413711       12.0197169150        9.1749655429
 Pt        -2.7747000186       12.8143899319       -0.1291442300
 Pt        -2.7728937714       12.8169828960        6.8424626956
 Pt        -4.1616866109       13.6161533485        4.5221108480
 Pt        -1.3881788540       12.0135118479        2.2035802818
 Pt        -1.3839967369       12.0195323255        9.1763438884
 Pt        -0.0017947172       12.8146780999       -0.1268125701
 Pt        -0.0000868107       12.8180126860        6.8458185020
 Pt        -1.3861701226       13.6148727729        4.5231198791
 Pt         1.3842710242       12.0165178851        2.2071968058
 Pt         1.3900466986       12.0193027412        9.1730809572
 Pt         2.7727319560       12.8155554513       -0.1185502402
 Pt         2.7742853545       12.8171812824        6.8442150144
 Pt         1.3888333808       13.6164275975        4.5282460987
 Pt         4.1601762577       12.0165456489        2.2024626591
 Pt         4.1666966068       12.0202026039        9.1601108603
 Pt         5.5478519463       12.8153273823       -0.1186924614
 Pt         5.5517687393       12.8158156329        6.8396240518
 Pt         4.1632218044       13.6173239740        4.5291335891
 Pt         6.9379804841       12.0156183951        2.1997681492
 Pt         6.9431095113       12.0211329410        9.1587928669
 Pt         8.3243314103       12.8165512908       -0.1183843837
 Pt         8.3290163118       12.8181707578        6.8437616733
 Pt         6.9375726923       13.6166709700        4.5286682156
  O         5.4181055973        7.0461107947       11.8965685977
  H         6.3723203969        7.0013997394       11.6939451148
  H         5.1081386055        6.1344609549       11.7300882318
     183
 i =       12, E =    -21650.0061633136
 Pt         0.0005411761       -0.0000049246        2.2135001155
 Pt         0.0074004649        0.0062305112        9.1764767148
 Pt         1.3867840636        0.7988490710       -0.1156084797
 Pt         1.3911173419        0.8031963574        6.8475567545
 Pt        -0.0000131820        1.6019751509        4.5362922751
 Pt         2.7764211351       -0.0017878225        2.2035436431
 Pt         2.7808940184        0.0056903569        9.1723789313
 Pt         4.1618163763        0.7978605722       -0.1364907879
 Pt         4.1648646929        0.8021346230        6.8363745376
 Pt         2.7747260267        1.6027788192        4.5204352852
 Pt         5.5490053300       -0.0033318703        2.1964832973
 Pt         5.5541338957        0.0040668563        9.1676054138
 Pt         6.9355486140        0.7978359036       -0.1343917692
 Pt         6.9386611794        0.8009450995        6.8354272208
 Pt         5.5486919634        1.6003614648        4.5084621007
 Pt         8.3228974734       -0.0027309703        2.2035506174
 Pt         8.3277019306        0.0041938634        9.1745773382
 Pt         9.7098438482        0.7989356553       -0.1188508883
 Pt         9.7114022477        0.8021247296        6.8457236418
 Pt         8.3250450882        1.6009309617        4.5181828675
 Pt        11.0978784952        0.0003528514        2.2130170989
 Pt        11.1015354870        0.0048477417        9.1751891045
 Pt        12.4849480286        0.7995141785       -0.1106363432
 Pt        12.4873251075        0.8017389683        6.8533780347
 Pt        11.1004550573        1.6023041082        4.5352253582
 Pt        13.8734213100        0.0001756595        2.2147831172
 Pt        13.8783541919        0.0054779752        9.1736459302
 Pt        15.2591588568        0.7999746152       -0.1093266439
 Pt        15.2637938841        0.8016215008        6.8530862118
 Pt        13.8733417299        1.6030012980        4.5406988609
 Pt        -1.3887030824        2.4017795094        2.2203637056
 Pt        -1.3813075658        2.4083006675        9.1798483157
 Pt        -0.0015916859        3.2029464593       -0.1093646033
 Pt         0.0040806797        3.2069682164        6.8527269897
 Pt        -1.3881000184        4.0040184169        4.5403794281
 Pt         1.3862127311        2.4011811526        2.2109852040
 Pt         1.3947315287        2.4083302543        9.1726349931
 Pt         2.7726942116        3.2009894173       -0.1259004264
 Pt         2.7787917306        3.2050563212        6.8339463122
 Pt         1.3864611681        4.0051252873        4.5244872547
 Pt         4.1614108020        2.3973858388        2.1918479455
 Pt         4.1694858374        2.4086020779        9.1588762124
 Pt         5.5485856130        3.2014737252       -0.1383941675
 Pt         5.5526205852        3.2003571778        6.8139494156
 Pt         4.1613831887        4.0081534834        4.5030919767
 Pt         6.9373692108        2.3971979550        2.1903834169
 Pt         6.9416336624        2.4059125980        9.1560324451
 Pt         8.3238508035        3.2013429300       -0.1335197896
 Pt         8.3261857262        3.2034306798        6.8281040924
 Pt         6.9385581897        4.0041317281        4.4954893589
 Pt         9.7118022074        2.4003781931        2.2067578078
 Pt         9.7159189689        2.4059153335        9.1712238886
 Pt        11.0984131375        3.2017575074       -0.1134767326
 Pt        11.0989239102        3.2064614635        6.8496702745
 Pt         9.7133729711        4.0044182974        4.5166307597
 Pt        12.4867294439        2.4021424550        2.2185644808
 Pt        12.4908879567        2.4071070630        9.1803693574
 Pt        13.8724459670        3.2022664949       -0.1085134328
 Pt        13.8749426844        3.2059564875        6.8592324115
 Pt        12.4868023023        4.0040755093        4.5384738101
 Pt        -2.7751756047        4.8043925740        2.2199260348
 Pt        -2.7682388018        4.8113600592        9.1798728662
 Pt        -1.3877323596        5.6051945701       -0.1096047564
 Pt        -1.3835321954        5.6103687466        6.8546792632
 Pt        -2.7735885193        6.4069109405        4.5369401364
 Pt        -0.0017639185        4.8047551551        2.2138850767
 Pt         0.0081434985        4.8121606857        9.1739762087
 Pt         1.3869075583        5.6060368538       -0.1233686009
 Pt         1.3936450780        5.6097316251        6.8396283085
 Pt         0.0003326224        6.4057287606        4.5297876500
 Pt         2.7734222903        4.8038705416        2.1942381948
 Pt         2.7834186297        4.8111679115        9.1574301532
 Pt         4.1604949775        5.6046532090       -0.1416579575
 Pt         4.1678310233        5.6077278293        6.8213244993
 Pt         2.7753132495        6.4083569818        4.5104664130
 Pt         5.5493201887        4.8020655122        2.1787780973
 Pt         5.5622643599        4.8035879225        9.1299086133
 Pt         6.9350174238        5.6047583036       -0.1497063189
 Pt         6.9409216306        5.6042122850        6.7988155929
 Pt         5.5496953528        6.4085950870        4.4874278029
 Pt         8.3258941932        4.8026162816        2.1837599586
 Pt         8.3335017547        4.8083489872        9.1453482218
 Pt         9.7109127105        5.6041394713       -0.1353249517
 Pt         9.7136206162        5.6093975253        6.8248176723
 Pt         8.3269855231        6.4082309503        4.4878549283
 Pt        11.0998840968        4.8051084974        2.2070588412
 Pt        11.1057063584        4.8096990427        9.1701376092
 Pt        12.4858359841        5.6045437816       -0.1126839993
 Pt        12.4870292458        5.6109418648        6.8498641284
 Pt        11.1007209170        6.4083172104        4.5184989339
 Pt        -4.1596566005        7.2087791121        2.2109857977
 Pt        -4.1537893562        7.2149602195        9.1762224088
 Pt        -2.7754691715        8.0085167576       -0.1154622116
 Pt        -2.7716528891        8.0133205702        6.8502314293
 Pt        -4.1590721464        8.8109458718        4.5266115402
 Pt        -1.3888825435        7.2079648272        2.2153653585
 Pt        -1.3820995997        7.2159545356        9.1773659158
 Pt        -0.0021360040        8.0085967081       -0.1176484350
 Pt         0.0044285080        8.0125606264        6.8451922566
 Pt        -1.3837647859        8.8094213150        4.5303998739
 Pt         1.3847323088        7.2085395012        2.2011961567
 Pt         1.3927919888        7.2143195196        9.1652752450
 Pt         2.7726360796        8.0087084171       -0.1342908488
 Pt         2.7835595147        8.0095731468        6.8366748500
 Pt         1.3924711638        8.8074890333        4.5214655805
 Pt         4.1600690892        7.2079098846        2.1808332708
 Pt         4.1799485582        7.2187247901        9.1550055561
 Pt         5.5482284603        8.0091727075       -0.1499186557
 Pt         5.5548694512        8.0126781906        6.7994142345
 Pt         4.1613720745        8.8113009282        4.4976251334
 Pt         6.9382802655        7.2077771689        2.1693612639
 Pt         6.9625312618        7.2132412481        9.1026077294
 Pt         8.3243172635        8.0081393250       -0.1477639959
 Pt         8.3316635243        8.0135542848        6.8002278221
 Pt         6.9366177221        8.8115781207        4.4827948009
 Pt         9.7147168471        7.2088812145        2.1861117793
 Pt         9.7249734758        7.2130320989        9.1495783938
 Pt        11.0997131165        8.0082953327       -0.1279406200
 Pt        11.1037175353        8.0136977090        6.8355678017
 Pt         9.7138950927        8.8125737104        4.5041902579
 Pt        -5.5450333890        9.6136248284        2.1990245299
 Pt        -5.5423483763        9.6176364595        9.1672525993
 Pt        -4.1620772160       10.4102816370       -0.1266184718
 Pt        -4.1572725114       10.4162925900        6.8437129009
 Pt        -5.5474029480       11.2145319022        4.5205303306
 Pt        -2.7729025384        9.6128091875        2.2081832278
 Pt        -2.7690393401        9.6186242342        9.1778959765
 Pt        -1.3891403680       10.4112525385       -0.1295700640
 Pt        -1.3848482753       10.4153482462        6.8468200929
 Pt        -2.7721049886       11.2132594922        4.5258767188
 Pt        -0.0035586892        9.6125832393        2.2062452476
 Pt         0.0055808822        9.6176684715        9.1731665776
 Pt         1.3839941041       10.4123928980       -0.1231952296
 Pt         1.3880459255       10.4153966082        6.8384058380
 Pt         0.0024834232       11.2117552775        4.5244238827
 Pt         2.7716138321        9.6123702522        2.1932586030
 Pt         2.7807939522        9.6208580611        9.1553582867
 Pt         4.1600225701       10.4116664810       -0.1349843656
 Pt         4.1637355208       10.4138717664        6.8230023164
 Pt         2.7767290778       11.2142997984        4.5176119157
 Pt         5.5488561821        9.6122277197        2.1792594633
 Pt         5.5612035973        9.6233134904        9.1279156327
 Pt         6.9368234147       10.4131363588       -0.1394217444
 Pt         6.9439492796       10.4149976093        6.8148719355
 Pt         5.5501313529       11.2145171793        4.5077523794
 Pt         8.3277687228        9.6129345761        2.1805688354
 Pt         8.3343015127        9.6173719539        9.1421584654
 Pt         9.7128871012       10.4121645167       -0.1351750028
 Pt         9.7194292713       10.4175893705        6.8308800040
 Pt         8.3251363924       11.2143125086        4.5110985790
 Pt        -6.9329687525       12.0152177451        2.2014683245
 Pt        -6.9308444277       12.0206294504        9.1697521649
 Pt        -5.5494297626       12.8141482686       -0.1260386969
 Pt        -5.5442425438       12.8187356601        6.8434110293
 Pt        -6.9361585023       13.6172894527        4.5275590334
 Pt        -4.1594182587       12.0142684119        2.2033687008
 Pt        -4.1568471531       12.0203643705        9.1739701858
 Pt        -2.7746775376       12.8140214077       -0.1307849092
 Pt        -2.7723496971       12.8174159489        6.8423079933
 Pt        -4.1613716602       13.6166083467        4.5211398714
 Pt        -1.3879794407       12.0132871378        2.2031926227
 Pt        -1.3831775279       12.0200915153        9.1758981772
 Pt        -0.0021963257       12.8142350824       -0.1281278012
 Pt         0.0001331309       12.8181673065        6.8448670411
 Pt        -1.3860428296       13.6154291124        4.5223360978
 Pt         1.3844470221       12.0157724889        2.2050522795
 Pt         1.3906569680       12.0201359690        9.1719289940
 Pt         2.7724993974       12.8149246379       -0.1203235294
 Pt         2.7746976330       12.8171638649        6.8435290597
 Pt         1.3889275871       13.6162823643        4.5269290018
 Pt         4.1602912440       12.0156958912        2.1998984430
 Pt         4.1672817487       12.0211161093        9.1607734598
 Pt         5.5476867955       12.8145192924       -0.1205704254
 Pt         5.5521375143       12.8157383064        6.8393716900
 Pt         4.1634228109       13.6173066252        4.5285448695
 Pt         6.9380103947       12.0148464760        2.1972230240
 Pt         6.9438632531       12.0221279524        9.1590799483
 Pt         8.3243722226       12.8158071807       -0.1209398646
 Pt         8.3293740679       12.8181919920        6.8422505929
 Pt         6.9378165867       13.6166858643        4.5275145225
  O         5.3914315849        7.0420288123       11.9121278661
  H         6.3524462840        7.0122910466       11.7293258243
  H         5.1132237165        6.1100814196       11.7803764178
     183
 i =       13, E =    -21650.0044223890
 Pt         0.0016914423       -0.0025206439        2.2126933321
 Pt         0.0106489163        0.0086826817        9.1696534728
 Pt         1.3858801533        0.7972728456       -0.1167488909
 Pt         1.3957099955        0.8033148098        6.8411458972
 Pt         0.0017284486        1.6030580589        4.5336194929
 Pt         2.7785861606       -0.0016061275        2.1983899445
 Pt         2.7845760915        0.0077507880        9.1659791170
 Pt         4.1616750110        0.7955308030       -0.1412371503
 Pt         4.1689198799        0.8039550561        6.8329415992
 Pt         2.7773855705        1.6056295972        4.5144227618
 Pt         5.5496559236       -0.0009519203        2.1887481888
 Pt         5.5582376602        0.0044019373        9.1654935145
 Pt         6.9339856389        0.7958907907       -0.1452340410
 Pt         6.9393779054        0.8031928184        6.8305859911
 Pt         5.5497701582        1.6063563149        4.4989198785
 Pt         8.3211521026       -0.0022755964        2.1972028977
 Pt         8.3328176244        0.0061112168        9.1672654297
 Pt         9.7087457855        0.7975615011       -0.1233660273
 Pt         9.7117780541        0.8024988115        6.8387732614
 Pt         8.3247311982        1.6042365912        4.5100936719
 Pt        11.0967356158       -0.0013275642        2.2124500135
 Pt        11.1067588685        0.0075100874        9.1703423454
 Pt        12.4843390539        0.7977873144       -0.1071492365
 Pt        12.4886068245        0.8026540777        6.8534344840
 Pt        11.1008126807        1.6028281963        4.5313864747
 Pt        13.8735929279       -0.0014221478        2.2148257883
 Pt        13.8824884874        0.0078323357        9.1711563788
 Pt        15.2584460066        0.7984580442       -0.1063607110
 Pt        15.2664103059        0.8026693340        6.8519868805
 Pt        13.8739273178        1.6031886869        4.5428573135
 Pt        -1.3871081147        2.4011888581        2.2219034991
 Pt        -1.3769024649        2.4112348423        9.1799547368
 Pt        -0.0014044987        3.2023364695       -0.1090006164
 Pt         0.0073675751        3.2081769642        6.8501375599
 Pt        -1.3870760077        4.0048972409        4.5417898034
 Pt         1.3886557396        2.4024712549        2.2071688477
 Pt         1.3994757205        2.4105089672        9.1644508607
 Pt         2.7730075029        3.1997805842       -0.1409148365
 Pt         2.7836557619        3.2064176973        6.8299437332
 Pt         1.3879783273        4.0072676000        4.5197183120
 Pt         4.1628824156        2.4003125731        2.1804326552
 Pt         4.1734795581        2.4064806131        9.1593964253
 Pt         5.5474939573        3.1993758218       -0.1563628659
 Pt         5.5550534559        3.2009671485        6.8098680209
 Pt         4.1628953203        4.0121932877        4.4943239096
 Pt         6.9371681529        2.4005744888        2.1769602901
 Pt         6.9462319054        2.4034752527        9.1547196362
 Pt         8.3212196823        3.2007893647       -0.1497181309
 Pt         8.3262026871        3.2049831791        6.8221094784
 Pt         6.9390731111        4.0080551219        4.4839541015
 Pt         9.7091794684        2.4013718961        2.1980444183
 Pt         9.7200088504        2.4083274156        9.1625311100
 Pt        11.0960287810        3.2014165256       -0.1148107393
 Pt        11.1003638535        3.2077012373        6.8434267810
 Pt         9.7142537021        4.0061536914        4.5075499353
 Pt        12.4855506256        2.4018976417        2.2208754845
 Pt        12.4947889959        2.4100171481        9.1804954789
 Pt        13.8719633294        3.2012097822       -0.1017262339
 Pt        13.8771851696        3.2080493129        6.8627386227
 Pt        12.4878877803        4.0046112471        4.5375954145
 Pt        -2.7757057228        4.8053738190        2.2231611296
 Pt        -2.7646503985        4.8139416795        9.1792348822
 Pt        -1.3875919497        5.6045910533       -0.1060771838
 Pt        -1.3811297682        5.6130842156        6.8538300861
 Pt        -2.7719395226        6.4080896664        4.5338209784
 Pt         0.0002679399        4.8058532623        2.2135172085
 Pt         0.0134108482        4.8146718308        9.1702754806
 Pt         1.3877167611        5.6059147379       -0.1339118147
 Pt         1.3984793954        5.6110031968        6.8405001666
 Pt         0.0039932629        6.4063790112        4.5284643137
 Pt         2.7749652226        4.8056877091        2.1864490637
 Pt         2.7888213230        4.8112603083        9.1584280538
 Pt         4.1602350615        5.6033849270       -0.1520880403
 Pt         4.1710741958        5.6080380191        6.8235087082
 Pt         2.7780792376        6.4092755846        4.5086488319
 Pt         5.5497043678        4.8039550363        2.1643370541
 Pt         5.5693146091        4.8020049246        9.1297739805
 Pt         6.9335369655        5.6031016720       -0.1660182127
 Pt         6.9431651059        5.6043464415        6.7955156554
 Pt         5.5498520379        6.4099200562        4.4822820395
 Pt         8.3261218695        4.8040910357        2.1713864838
 Pt         8.3379825140        4.8085524632        9.1432901183
 Pt         9.7080288585        5.6040160388       -0.1511192921
 Pt         9.7136265556        5.6103951291        6.8210074354
 Pt         8.3258597137        6.4085877255        4.4790602751
 Pt        11.0975504128        4.8065193280        2.1990282187
 Pt        11.1094936087        4.8120185340        9.1632165544
 Pt        12.4837938994        5.6045119525       -0.1121631783
 Pt        12.4889725545        5.6139848793        6.8441153781
 Pt        11.1003703407        6.4083077823        4.5111001359
 Pt        -4.1615197701        7.2111168313        2.2071065868
 Pt        -4.1496355511        7.2172932257        9.1700700484
 Pt        -2.7762718456        8.0087522450       -0.1156591456
 Pt        -2.7700467766        8.0164116561        6.8437141057
 Pt        -4.1602975149        8.8113599332        4.5190301135
 Pt        -1.3865546168        7.2097106327        2.2162632679
 Pt        -1.3783443139        7.2185022022        9.1725635019
 Pt        -0.0030920303        8.0087852413       -0.1241467518
 Pt         0.0098228388        8.0137014776        6.8435882900
 Pt        -1.3795576886        8.8101241525        4.5277332947
 Pt         1.3877270961        7.2091483643        2.1923581788
 Pt         1.3969773403        7.2161681503        9.1714425107
 Pt         2.7718896020        8.0075474949       -0.1465268396
 Pt         2.7888368000        8.0085442016        6.8446906444
 Pt         1.3991296199        8.8051166350        4.5194397067
 Pt         4.1606428171        7.2082423749        2.1715341882
 Pt         4.1905633793        7.2171450820        9.1746318560
 Pt         5.5468363257        8.0076293563       -0.1636524695
 Pt         5.5574361594        8.0117751202        6.8019503093
 Pt         4.1648489899        8.8096658728        4.4944889750
 Pt         6.9372613513        7.2077430302        2.1579407880
 Pt         6.9684074469        7.2120685589        9.1093487756
 Pt         8.3240765653        8.0071133108       -0.1632039294
 Pt         8.3343200470        8.0145084068        6.7963452368
 Pt         6.9341522741        8.8106013591        4.4759153734
 Pt         9.7136271420        7.2079640489        2.1768107707
 Pt         9.7302415120        7.2150188759        9.1500879984
 Pt        11.0979695695        8.0082053360       -0.1458365161
 Pt        11.1035607524        8.0148755040        6.8288691883
 Pt         9.7110283784        8.8118330591        4.4952760706
 Pt        -5.5477292729        9.6125925633        2.1844668731
 Pt        -5.5364006137        9.6207561654        9.1605470509
 Pt        -4.1625353872       10.4101470295       -0.1363265347
 Pt        -4.1559926009       10.4180278986        6.8380532861
 Pt        -5.5493698602       11.2131480485        4.5131974959
 Pt        -2.7721265610        9.6145776254        2.2033748707
 Pt        -2.7652582851        9.6212610083        9.1728276666
 Pt        -1.3903193342       10.4109793293       -0.1362837795
 Pt        -1.3816487165       10.4171586680        6.8432529579
 Pt        -2.7710262971       11.2128789365        4.5228276053
 Pt        -0.0008681672        9.6118744270        2.1984449789
 Pt         0.0082304953        9.6204567048        9.1699470939
 Pt         1.3820689411       10.4099411875       -0.1376186950
 Pt         1.3928842502       10.4147822531        6.8359022795
 Pt         0.0065432536       11.2104462025        4.5200207248
 Pt         2.7732232999        9.6101480341        2.1840440259
 Pt         2.7834800369        9.6241010750        9.1580895005
 Pt         4.1586264637       10.4078922244       -0.1480175907
 Pt         4.1664593539       10.4144870604        6.8208177941
 Pt         2.7808294496       11.2128178178        4.5110997132
 Pt         5.5489375067        9.6102099606        2.1673862089
 Pt         5.5663551639        9.6255149081        9.1245157725
 Pt         6.9366117784       10.4100114269       -0.1507916599
 Pt         6.9463116644       10.4161059272        6.8099322814
 Pt         5.5512502400       11.2140302133        4.4996257102
 Pt         8.3278092617        9.6117226052        2.1655781188
 Pt         8.3404925510        9.6205413402        9.1405725901
 Pt         9.7126051398       10.4099986798       -0.1521361308
 Pt         9.7193118160       10.4168445476        6.8239681596
 Pt         8.3238775235       11.2135437158        4.5001375071
 Pt        -6.9323360400       12.0122830517        2.1876538716
 Pt        -6.9265833002       12.0237076172        9.1602857576
 Pt        -5.5496844751       12.8119416961       -0.1323840750
 Pt        -5.5410418470       12.8191888470        6.8365019366
 Pt        -6.9345840296       13.6171175447        4.5209008735
 Pt        -4.1591239053       12.0139365753        2.2008328009
 Pt        -4.1523542572       12.0232475538        9.1684662788
 Pt        -2.7746846869       12.8123348423       -0.1370870272
 Pt        -2.7698367783       12.8194762250        6.8396817063
 Pt        -4.1599811438       13.6184943801        4.5163071266
 Pt        -1.3871779127       12.0124889168        2.2008601384
 Pt        -1.3792880583       12.0225733093        9.1721372193
 Pt        -0.0036692111       12.8122291541       -0.1334177683
 Pt         0.0014560907       12.8186649539        6.8391953244
 Pt        -1.3853370510       13.6175765539        4.5178047333
 Pt         1.3850565007       12.0128988136        2.1969339694
 Pt         1.3942013767       12.0228915575        9.1651381660
 Pt         2.7715188212       12.8122431030       -0.1272075878
 Pt         2.7768677806       12.8170203618        6.8388466592
 Pt         1.3896390939       13.6158863040        4.5211322469
 Pt         4.1604938252       12.0126110334        2.1897278054
 Pt         4.1708938533       12.0234996173        9.1598304164
 Pt         5.5468103402       12.8114791403       -0.1279766285
 Pt         5.5541029026       12.8159156210        6.8362738018
 Pt         4.1645734736       13.6169304980        4.5257591025
 Pt         6.9381458711       12.0121567570        2.1869862593
 Pt         6.9474309833       12.0248738480        9.1563829159
 Pt         8.3241575438       12.8130097610       -0.1309172395
 Pt         8.3312884782       12.8181266454        6.8343971943
 Pt         6.9388416559       13.6165310369        4.5226529965
  O         5.2673458815        7.0147823997       12.0071021952
  H         6.2605176632        7.0671251525       11.9080922251
  H         5.1261521339        6.0020182314       12.0303764178
     183
 i =       14, E =    -21650.0066154602
 Pt         0.0008689543       -0.0008297368        2.2134305602
 Pt         0.0082952517        0.0070319784        9.1736779215
 Pt         1.3865336950        0.7982439810       -0.1162988448
 Pt         1.3926314241        0.8030513062        6.8446380266
 Pt         0.0006683468        1.6024731392        4.5345515838
 Pt         2.7769264646       -0.0015108101        2.2020258632
 Pt         2.7818384885        0.0064088645        9.1696859283
 Pt         4.1618313476        0.7972551758       -0.1365010737
 Pt         4.1662249487        0.8023512717        6.8358431977
 Pt         2.7756792323        1.6036032661        4.5186264807
 Pt         5.5492839410       -0.0020761480        2.1945183903
 Pt         5.5553169631        0.0040582051        9.1670826267
 Pt         6.9348846969        0.7974024523       -0.1372022049
 Pt         6.9387633347        0.8012951645        6.8344662892
 Pt         5.5491473690        1.6021778592        4.5062111217
 Pt         8.3225277938       -0.0022556384        2.2016751958
 Pt         8.3293152987        0.0047782670        9.1716448431
 Pt         9.7093674099        0.7984522466       -0.1206309462
 Pt         9.7114782167        0.8020721315        6.8427580702
 Pt         8.3249648536        1.6020229677        4.5158618521
 Pt        11.0975307170       -0.0001555129        2.2130470462
 Pt        11.1031727189        0.0057030077        9.1728608820
 Pt        12.4847318675        0.7988800722       -0.1091637494
 Pt        12.4877711587        0.8021086347        6.8526365609
 Pt        11.1006054327        1.6025409585        4.5332712494
 Pt        13.8734678614       -0.0003577566        2.2150629915
 Pt        13.8796572570        0.0060657758        9.1725943683
 Pt        15.2589537459        0.7994035790       -0.1081530012
 Pt        15.2646357063        0.8020407828        6.8518705141
 Pt        13.8735677872        1.6031641576        4.5407010098
 Pt        -1.3879776427        2.4017021662        2.2206553824
 Pt        -1.3799343825        2.4091773898        9.1789059342
 Pt        -0.0014528768        3.2027670431       -0.1092686907
 Pt         0.0050369892        3.2071057617        6.8510600262
 Pt        -1.3875371835        4.0045523082        4.5400836954
 Pt         1.3871591538        2.4018466041        2.2098703368
 Pt         1.3961701253        2.4090214967        9.1694889165
 Pt         2.7727990674        3.2006861480       -0.1305059922
 Pt         2.7803059869        3.2050307180        6.8332849398
 Pt         1.3871670728        4.0059213782        4.5233916076
 Pt         4.1618563573        2.3986456664        2.1894783096
 Pt         4.1706200650        2.4076456728        9.1602541973
 Pt         5.5481479718        3.2008630776       -0.1427474609
 Pt         5.5533719464        3.1996436288        6.8139332091
 Pt         4.1619884166        4.0092004307        4.5016053086
 Pt         6.9374788953        2.3986753269        2.1873296365
 Pt         6.9431420124        2.4049394235        9.1568715792
 Pt         8.3229296831        3.2013504831       -0.1381382859
 Pt         8.3261257734        3.2035258097        6.8271076628
 Pt         6.9386052415        4.0052434706        4.4934297538
 Pt         9.7109078189        2.4009304374        2.2040482105
 Pt         9.7172055286        2.4067068155        9.1680131237
 Pt        11.0974728967        3.2017920895       -0.1140368835
 Pt        11.0995717043        3.2066503630        6.8469000397
 Pt         9.7135784879        4.0050072406        4.5141612176
 Pt        12.4862116668        2.4022023894        2.2193450424
 Pt        12.4920127735        2.4080292976        9.1796202339
 Pt        13.8723027560        3.2020018324       -0.1057801803
 Pt        13.8757179244        3.2065326806        6.8591765806
 Pt        12.4871963944        4.0043905482        4.5376275899
 Pt        -2.7753589558        4.8048877886        2.2209225305
 Pt        -2.7671856900        4.8117706041        9.1788395379
 Pt        -1.3876298747        5.6051543289       -0.1085438782
 Pt        -1.3828862306        5.6109886818        6.8533868584
 Pt        -2.7729519732        6.4073127507        4.5349832241
 Pt        -0.0007953051        4.8053260315        2.2141485729
 Pt         0.0099577698        4.8127505218        9.1727848524
 Pt         1.3870433954        5.6059581257       -0.1268132361
 Pt         1.3948219576        5.6098739124        6.8403664559
 Pt         0.0017401201        6.4061596148        4.5294263176
 Pt         2.7738762961        4.8045614791        2.1931948989
 Pt         2.7850713781        4.8108702828        9.1584814375
 Pt         4.1602612187        5.6041747059       -0.1427087861
 Pt         4.1685594257        5.6073639261        6.8224274524
 Pt         2.7761872699        6.4086467975        4.5109708543
 Pt         5.5494547337        4.8027779901        2.1758439282
 Pt         5.5644150633        4.8028583278        9.1299339888
 Pt         6.9347569207        5.6041485233       -0.1528278940
 Pt         6.9416911124        5.6038636429        6.7985681489
 Pt         5.5495627186        6.4088837290        4.4874524277
 Pt         8.3260711051        4.8032295405        2.1814418822
 Pt         8.3348562410        4.8082376351        9.1450909817
 Pt         9.7100269923        5.6041984521       -0.1397808577
 Pt         9.7139657523        5.6094130410        6.8246948198
 Pt         8.3263942285        6.4082418560        4.4871398642
 Pt        11.0989167053        4.8056750104        2.2048058959
 Pt        11.1067209930        4.8102993556        9.1680699438
 Pt        12.4850026148        5.6047598839       -0.1126634912
 Pt        12.4879002709        5.6117977202        6.8472694196
 Pt        11.1006265065        6.4082497546        4.5166649967
 Pt        -4.1605018569        7.2095018332        2.2099143678
 Pt        -4.1524697965        7.2151412327        9.1739493813
 Pt        -2.7758293365        8.0088638597       -0.1155487945
 Pt        -2.7712258412        8.0141614689        6.8471142112
 Pt        -4.1595986615        8.8109837783        4.5239463272
 Pt        -1.3878537731        7.2085638184        2.2158048040
 Pt        -1.3809184897        7.2161301679        9.1750811742
 Pt        -0.0024388247        8.0087199480       -0.1195080717
 Pt         0.0058002088        8.0129396771        6.8444927093
 Pt        -1.3824068432        8.8096835331        4.5290982906
 Pt         1.3859580826        7.2087581587        2.1993563450
 Pt         1.3938350909        7.2148142231        9.1680679054
 Pt         2.7722623094        8.0082887802       -0.1366022756
 Pt         2.7845547383        8.0093459429        6.8396760683
 Pt         1.3945504188        8.8068426022        4.5216707312
 Pt         4.1602109914        7.2081133920        2.1795170504
 Pt         4.1825478973        7.2182679582        9.1594582316
 Pt         5.5477728929        8.0087424582       -0.1522001920
 Pt         5.5554960237        8.0124851680        6.8004334821
 Pt         4.1624836707        8.8107254576        4.4979384704
 Pt         6.9378122377        7.2078066023        2.1680694986
 Pt         6.9644617461        7.2127883299        9.1038017906
 Pt         8.3244720457        8.0078167572       -0.1505543689
 Pt         8.3328668526        8.0139182469        6.8003215229
 Pt         6.9355965938        8.8112549638        4.4825470378
 Pt         9.7142058595        7.2083037809        2.1850763849
 Pt         9.7267780889        7.2136097285        9.1507631628
 Pt        11.0989626533        8.0082868758       -0.1333817183
 Pt        11.1039753917        8.0141820886        6.8337452017
 Pt         9.7128490377        8.8123791426        4.5027155472
 Pt        -5.5464112638        9.6129529995        2.1950087466
 Pt        -5.5400964877        9.6185401305        9.1655238421
 Pt        -4.1624220946       10.4103053795       -0.1291081099
 Pt        -4.1567651038       10.4168829713        6.8415685591
 Pt        -5.5481393147       11.2140243599        4.5183251944
 Pt        -2.7727070117        9.6131587865        2.2067398518
 Pt        -2.7677929641        9.6188675583        9.1753910672
 Pt        -1.3894389984       10.4111976832       -0.1308239188
 Pt        -1.3839455649       10.4159019053        6.8450876981
 Pt        -2.7718297190       11.2129610679        4.5241374887
 Pt        -0.0023230853        9.6121756418        2.2040583452
 Pt         0.0062381599        9.6184674979        9.1720987557
 Pt         1.3834745297       10.4113416032       -0.1275531361
 Pt         1.3893901168       10.4153809375        6.8381109680
 Pt         0.0037987424       11.2113875853        4.5230682941
 Pt         2.7723406270        9.6116443810        2.1916437011
 Pt         2.7813372494        9.6220391510        9.1569560665
 Pt         4.1595837974       10.4104009098       -0.1382503833
 Pt         4.1643995500       10.4144328556        6.8230169496
 Pt         2.7780906026       11.2137942576        4.5161030640
 Pt         5.5488130605        9.6116456272        2.1768614264
 Pt         5.5627122446        9.6239580028        9.1268121802
 Pt         6.9367709131       10.4120992427       -0.1413728615
 Pt         6.9447702360       10.4157701882        6.8140858390
 Pt         5.5504390291       11.2141794969        4.5059582926
 Pt         8.3275646340        9.6125806626        2.1772649348
 Pt         8.3365887833        9.6187393178        9.1423582088
 Pt         9.7126993827       10.4113194676       -0.1393877006
 Pt         9.7195593601       10.4174265156        6.8293490528
 Pt         8.3246396160       11.2141679965        4.5080509301
 Pt        -6.9330708077       12.0141862569        2.1974703893
 Pt        -6.9292752533       12.0216882040        9.1664743969
 Pt        -5.5495445407       12.8131933035       -0.1272330465
 Pt        -5.5430991086       12.8188117460        6.8406588557
 Pt        -6.9356859510       13.6172254276        4.5250604994
 Pt        -4.1595956174       12.0140651973        2.2033251154
 Pt        -4.1553011479       12.0212312158        9.1713428001
 Pt        -2.7746739628       12.8134595126       -0.1317768641
 Pt        -2.7715319151       12.8179841525        6.8410957395
 Pt        -4.1609244661       13.6171324194        4.5192510371
 Pt        -1.3875458652       12.0129351970        2.2030862251
 Pt        -1.3820792420       12.0207412564        9.1736563773
 Pt        -0.0027135269       12.8133898997       -0.1288315623
 Pt         0.0004415987       12.8182576566        6.8424553264
 Pt        -1.3857795074       13.6161264990        4.5204648326
 Pt         1.3849693122       12.0147290190        2.2028736739
 Pt         1.3917087302       12.0210316947        9.1693404916
 Pt         2.7722520752       12.8138945120       -0.1226001132
 Pt         2.7753532047       12.8172425952        6.8417159322
 Pt         1.3892506786       13.6161566481        4.5248307383
 Pt         4.1604816719       12.0147310737        2.1973735249
 Pt         4.1683902625       12.0218404746        9.1610574216
 Pt         5.5474473773       12.8134999713       -0.1233105016
 Pt         5.5528029635       12.8161436918        6.8385828186
 Pt         4.1638230785       13.6171373134        4.5276411084
 Pt         6.9378689442       12.0141726457        2.1949173139
 Pt         6.9449504626       12.0229191542        9.1588937258
 Pt         8.3242883288       12.8147467157       -0.1243755388
 Pt         8.3301158228       12.8182816692        6.8393883319
 Pt         6.9381077352       13.6166580341        4.5260391619
  O         5.3575225958        7.0303162781       11.9375107005
  H         6.3257307511        7.0253845588       11.7694408554
  H         5.1074125350        6.0887988494       11.8413511001
     183
 i =       15, E =    -21650.0067944171
 Pt         0.0011985189       -0.0011918481        2.2128680773
 Pt         0.0090049189        0.0074636868        9.1716542630
 Pt         1.3862569420        0.7978676892       -0.1168281522
 Pt         1.3935352140        0.8030694427        6.8426944496
 Pt         0.0012009453        1.6026704766        4.5334094720
 Pt         2.7772179513       -0.0014222568        2.2010835985
 Pt         2.7826391061        0.0069488208        9.1677040060
 Pt         4.1616240582        0.7969458403       -0.1370932887
 Pt         4.1670667285        0.8027565950        6.8346525387
 Pt         2.7762648938        1.6040235719        4.5173986554
 Pt         5.5495042274       -0.0016796171        2.1937428228
 Pt         5.5562557322        0.0044452318        9.1662838479
 Pt         6.9346575087        0.7971700295       -0.1386207004
 Pt         6.9390230198        0.8017123105        6.8330834723
 Pt         5.5494399553        1.6028318386        4.5050074942
 Pt         8.3224493604       -0.0021341270        2.2003357219
 Pt         8.3303253109        0.0051814533        9.1696970606
 Pt         9.7091299048        0.7980952642       -0.1216301835
 Pt         9.7115934980        0.8021583791        6.8407740677
 Pt         8.3249594292        1.6024597734        4.5142344053
 Pt        11.0971970125       -0.0005836788        2.2126733831
 Pt        11.1042452395        0.0061267186        9.1710221158
 Pt        12.4844300499        0.7984360493       -0.1080677810
 Pt        12.4881163821        0.8023854937        6.8515439132
 Pt        11.1006330084        1.6026508232        4.5321185243
 Pt        13.8734465522       -0.0007000972        2.2152365093
 Pt        13.8805839481        0.0064488387        9.1716071109
 Pt        15.2588160688        0.7989554381       -0.1071628041
 Pt        15.2653447759        0.8022824303        6.8506662765
 Pt        13.8738118419        1.6031787145        4.5407703744
 Pt        -1.3876372435        2.4017592828        2.2214281881
 Pt        -1.3788823380        2.4098583580        9.1775640587
 Pt        -0.0014195807        3.2026373672       -0.1088231170
 Pt         0.0058087930        3.2073195052        6.8497194806
 Pt        -1.3870126940        4.0048224219        4.5399719507
 Pt         1.3877368395        2.4020608935        2.2089759022
 Pt         1.3972535353        2.4096408917        9.1673158036
 Pt         2.7726461881        3.2004278668       -0.1319498813
 Pt         2.7813960295        3.2053798452        6.8321286171
 Pt         1.3879168613        4.0063332970        4.5227082357
 Pt         4.1621318990        2.3994608682        2.1880137829
 Pt         4.1717034460        2.4077762136        9.1597284685
 Pt         5.5478573504        3.2004775103       -0.1452556906
 Pt         5.5539701036        3.2002266808        6.8133152637
 Pt         4.1624285458        4.0096463609        4.5005480826
 Pt         6.9374270792        2.3993268424        2.1853064360
 Pt         6.9442798689        2.4049052923        9.1561886893
 Pt         8.3224947979        3.2011863847       -0.1407436356
 Pt         8.3263017432        3.2038343577        6.8252894780
 Pt         6.9386090119        4.0056777193        4.4918478781
 Pt         9.7104825573        2.4010314018        2.2027350970
 Pt         9.7182027492        2.4072375677        9.1656649687
 Pt        11.0970315726        3.2016334974       -0.1143174772
 Pt        11.0999023463        3.2068552517        6.8452510090
 Pt         9.7134845025        4.0054199356        4.5126139207
 Pt        12.4859267139        2.4022142855        2.2198023113
 Pt        12.4929093103        2.4086869899        9.1784682867
 Pt        13.8721015546        3.2018627564       -0.1037404264
 Pt        13.8762035738        3.2068852388        6.8585246726
 Pt        12.4873616393        4.0046145507        4.5370678955
 Pt        -2.7753201247        4.8053362744        2.2215156117
 Pt        -2.7662374165        4.8123320830        9.1774919317
 Pt        -1.3877538168        5.6050859300       -0.1075484253
 Pt        -1.3822415821        5.6114261909        6.8521802737
 Pt        -2.7725858545        6.4077144001        4.5338622069
 Pt        -0.0003063252        4.8056128319        2.2142095594
 Pt         0.0113524177        4.8133323594        9.1716526598
 Pt         1.3868549854        5.6057170551       -0.1282514030
 Pt         1.3957627767        5.6101253511        6.8403137299
 Pt         0.0026246478        6.4065143311        4.5291889142
 Pt         2.7740856328        4.8048689873        2.1920704707
 Pt         2.7865470538        4.8110415632        9.1582911117
 Pt         4.1599517360        5.6037971048       -0.1439099909
 Pt         4.1692316954        5.6076803124        6.8227198225
 Pt         2.7767634647        6.4089335232        4.5110705560
 Pt         5.5495975027        4.8031259418        2.1742394123
 Pt         5.5658798264        4.8029742167        9.1301539656
 Pt         6.9345712732        5.6038711764       -0.1548723665
 Pt         6.9421857006        5.6042917204        6.7981621167
 Pt         5.5496603502        6.4090268543        4.4869084373
 Pt         8.3259452553        4.8035408284        2.1796340715
 Pt         8.3357576494        4.8085201899        9.1440456735
 Pt         9.7096362613        5.6041260774       -0.1420669141
 Pt         9.7143973293        5.6096719490        6.8233567197
 Pt         8.3262343153        6.4085412923        4.4862587084
 Pt        11.0985835962        4.8058829311        2.2040686311
 Pt        11.1074817306        4.8108598452        9.1663128582
 Pt        12.4846477059        5.6047801837       -0.1125041965
 Pt        12.4884098928        5.6122870889        6.8458424888
 Pt        11.1004815255        6.4085174045        4.5154363368
 Pt        -4.1608105082        7.2098151324        2.2089362520
 Pt        -4.1517322244        7.2154928888        9.1719923301
 Pt        -2.7761466960        8.0087525766       -0.1156983099
 Pt        -2.7707306489        8.0147401551        6.8453360455
 Pt        -4.1597238233        8.8111110573        4.5223570749
 Pt        -1.3874043136        7.2089217091        2.2156939894
 Pt        -1.3796616179        7.2164534420        9.1732870668
 Pt        -0.0027327149        8.0085231647       -0.1201843147
 Pt         0.0069475500        8.0131368533        6.8438258465
 Pt        -1.3817222832        8.8099101794        4.5280848956
 Pt         1.3864937633        7.2087024319        2.1987340386
 Pt         1.3953552568        7.2151940747        9.1684840233
 Pt         2.7719382460        8.0079449735       -0.1379981213
 Pt         2.7857642476        8.0092133132        6.8409318839
 Pt         1.3955410208        8.8068168832        4.5215291999
 Pt         4.1603703313        7.2081279187        2.1788169024
 Pt         4.1844655115        7.2176862871        9.1633249104
 Pt         5.5475871135        8.0082862119       -0.1535715449
 Pt         5.5560968382        8.0123421032        6.8014083660
 Pt         4.1629284281        8.8104910411        4.4979073866
 Pt         6.9376910497        7.2077299985        2.1667473284
 Pt         6.9650098271        7.2125903547        9.1060290551
 Pt         8.3243733920        8.0074029751       -0.1522660525
 Pt         8.3331045623        8.0140102463        6.7999682858
 Pt         6.9355594657        8.8110473554        4.4818037505
 Pt         9.7139169139        7.2081989418        2.1834610465
 Pt         9.7273949997        7.2141570775        9.1499554667
 Pt        11.0986121207        8.0080496360       -0.1352946890
 Pt        11.1040136032        8.0144834250        6.8320126238
 Pt         9.7125052721        8.8123894470        4.5011141473
 Pt        -5.5468586923        9.6126080050        2.1933492059
 Pt        -5.5390189704        9.6189466101        9.1637285322
 Pt        -4.1626770299       10.4100879277       -0.1300966405
 Pt        -4.1564538635       10.4171616438        6.8396516373
 Pt        -5.5482591162       11.2138820596        4.5165866663
 Pt        -2.7726145640        9.6132016365        2.2059466910
 Pt        -2.7668099029        9.6190370741        9.1734440491
 Pt        -1.3896306013       10.4110284182       -0.1314679668
 Pt        -1.3831188351       10.4161122311        6.8435398493
 Pt        -2.7715727691       11.2130032272        4.5229172559
 Pt        -0.0015704730        9.6120041827        2.2032465509
 Pt         0.0073206971        9.6187827570        9.1709204129
 Pt         1.3832716014       10.4108293863       -0.1298192286
 Pt         1.3906021792       10.4151473426        6.8371945368
 Pt         0.0045206916       11.2112409776        4.5219474588
 Pt         2.7726701626        9.6114221112        2.1905301830
 Pt         2.7825335744        9.6222362707        9.1573303255
 Pt         4.1592925805       10.4098053714       -0.1400949319
 Pt         4.1652511431       10.4144531884        6.8225166105
 Pt         2.7786687553       11.2135181905        4.5150918359
 Pt         5.5487411166        9.6113504279        2.1755310740
 Pt         5.5638403974        9.6237120691        9.1266764253
 Pt         6.9365460031       10.4115850784       -0.1430924028
 Pt         6.9451297786       10.4159319406        6.8127454685
 Pt         5.5506526121       11.2139649934        4.5045890623
 Pt         8.3272822215        9.6121698852        2.1756194237
 Pt         8.3375262565        9.6190337087        9.1414362795
 Pt         9.7125376495       10.4108271612       -0.1422251245
 Pt         9.7196002633       10.4172658274        6.8273520604
 Pt         8.3246402358       11.2140088099        4.5059815721
 Pt        -6.9331908693       12.0136903129        2.1956450095
 Pt        -6.9283097044       12.0221155423        9.1638467829
 Pt        -5.5497227370       12.8127356502       -0.1280138775
 Pt        -5.5424554155       12.8188611192        6.8384927921
 Pt        -6.9352928297       13.6172295107        4.5232893273
 Pt        -4.1595771674       12.0139572772        2.2024305339
 Pt        -4.1543072164       12.0216751117        9.1694829726
 Pt        -2.7747807326       12.8131315881       -0.1320248804
 Pt        -2.7709622936       12.8183529404        6.8395033480
 Pt        -4.1605623924       13.6174691237        4.5180572234
 Pt        -1.3872991990       12.0128876123        2.2025822240
 Pt        -1.3811653349       12.0211095137        9.1718779900
 Pt        -0.0028916772       12.8129574808       -0.1293945608
 Pt         0.0009347553       12.8183160933        6.8405243999
 Pt        -1.3855358842       13.6165123354        4.5192235368
 Pt         1.3852556709       12.0142264650        2.2016090849
 Pt         1.3926930764       12.0214188254        9.1673273591
 Pt         2.7721080131       12.8133355204       -0.1236208772
 Pt         2.7759713077       12.8172849194        6.8401769553
 Pt         1.3893993463       13.6161127745        4.5234046504
 Pt         4.1605471107       12.0143327254        2.1962248447
 Pt         4.1694332426       12.0219811152        9.1599873518
 Pt         5.5471936142       12.8129803163       -0.1245281447
 Pt         5.5533255877       12.8164125098        6.8375186843
 Pt         4.1641204639       13.6169130111        4.5268480121
 Pt         6.9378016586       12.0138929968        2.1932853212
 Pt         6.9458630042       12.0230965998        9.1573767730
 Pt         8.3240329401       12.8142912585       -0.1260680119
 Pt         8.3306170757       12.8182865282        6.8373366587
 Pt         6.9383296135       13.6165178445        4.5250285474
  O         5.3347209953        7.0162881672       11.9607535305
  H         6.3051920438        7.0298848310       11.8014707567
  H         5.1034233754        6.0677108206       11.8861580107
     183
 i =       16, E =    -21650.0069242941
 Pt         0.0014888847       -0.0010043866        2.2113417147
 Pt         0.0092352973        0.0074061922        9.1700489068
 Pt         1.3860334993        0.7977627138       -0.1171273154
 Pt         1.3934504030        0.8030984418        6.8413937132
 Pt         0.0016870601        1.6025036545        4.5323254081
 Pt         2.7770357672       -0.0014768693        2.2014485331
 Pt         2.7828066132        0.0069423526        9.1666225332
 Pt         4.1611703396        0.7971462399       -0.1368892113
 Pt         4.1671045606        0.8028322018        6.8334325995
 Pt         2.7764551839        1.6039070772        4.5172081550
 Pt         5.5497462725       -0.0020391218        2.1954992239
 Pt         5.5566672484        0.0047680453        9.1657813045
 Pt         6.9349111241        0.7973813062       -0.1370904016
 Pt         6.9395099326        0.8017100230        6.8320102583
 Pt         5.5496343732        1.6019812765        4.5061485184
 Pt         8.3229225783       -0.0022318772        2.2003592269
 Pt         8.3306072411        0.0051288511        9.1688505182
 Pt         9.7090943143        0.7979062101       -0.1215715770
 Pt         9.7118879048        0.8023011086        6.8395622981
 Pt         8.3250890025        1.6021809949        4.5138328069
 Pt        11.0968985272       -0.0008736179        2.2115722167
 Pt        11.1045125488        0.0060861812        9.1695196175
 Pt        12.4841004727        0.7982318058       -0.1075316863
 Pt        12.4884392721        0.8026245624        6.8493914376
 Pt        11.1004319116        1.6025758454        4.5313091441
 Pt        13.8733061380       -0.0008831461        2.2151636956
 Pt        13.8808856478        0.0065725627        9.1708243274
 Pt        15.2587871900        0.7986332905       -0.1067322200
 Pt        15.2657251339        0.8023669620        6.8487248148
 Pt        13.8740842153        1.6030955955        4.5401718589
 Pt        -1.3876073111        2.4020547343        2.2224062289
 Pt        -1.3785534230        2.4099286090        9.1752492630
 Pt        -0.0014504921        3.2026589546       -0.1084667312
 Pt         0.0061702095        3.2073566809        6.8481937679
 Pt        -1.3864259160        4.0050040493        4.5392393876
 Pt         1.3880234492        2.4019270840        2.2081793133
 Pt         1.3974285265        2.4097244541        9.1665763117
 Pt         2.7721681485        3.2003807985       -0.1298633714
 Pt         2.7817570499        3.2054848384        6.8315316047
 Pt         1.3887123964        4.0062616745        4.5230304141
 Pt         4.1620733708        2.4001186265        2.1894879436
 Pt         4.1722856704        2.4085860362        9.1588794244
 Pt         5.5477480329        3.2005560279       -0.1430703415
 Pt         5.5541753314        3.2012118068        6.8138302999
 Pt         4.1626512253        4.0092145164        4.5018938957
 Pt         6.9373788015        2.3993642832        2.1863655301
 Pt         6.9447411631        2.4054595728        9.1556312746
 Pt         8.3225923098        3.2010882435       -0.1390654314
 Pt         8.3266807903        3.2038880606        6.8241751144
 Pt         6.9385525567        4.0051441195        4.4932432780
 Pt         9.7106231623        2.4008265781        2.2029149385
 Pt         9.7187112075        2.4071750506        9.1646796214
 Pt        11.0970892115        3.2013952301       -0.1146457689
 Pt        11.0999151652        3.2068993619        6.8445014634
 Pt         9.7130494139        4.0055235456        4.5129387067
 Pt        12.4858027781        2.4022686802        2.2195888619
 Pt        12.4933280738        2.4087978223        9.1761282404
 Pt        13.8718403129        3.2019388142       -0.1028997906
 Pt        13.8763613353        3.2068358803        6.8557431864
 Pt        12.4873051395        4.0048091623        4.5362400866
 Pt        -2.7749932157        4.8058935556        2.2210939369
 Pt        -2.7657724237        4.8123932735        9.1750653399
 Pt        -1.3880875064        5.6051210096       -0.1069863048
 Pt        -1.3817884706        5.6113226815        6.8501872435
 Pt        -2.7724793552        6.4082581399        4.5330363150
 Pt        -0.0001177579        4.8057535342        2.2138448289
 Pt         0.0116849396        4.8132884360        9.1709794148
 Pt         1.3863506026        5.6052451685       -0.1267845312
 Pt         1.3959745278        5.6101846736        6.8401048105
 Pt         0.0030310411        6.4069226787        4.5290611115
 Pt         2.7739057875        4.8047545138        2.1926141308
 Pt         2.7872540634        4.8112838011        9.1577982394
 Pt         4.1595413553        5.6035797023       -0.1427221992
 Pt         4.1695223996        5.6081984177        6.8231029739
 Pt         2.7768288377        6.4091212809        4.5120875521
 Pt         5.5498226515        4.8032133972        2.1767405655
 Pt         5.5661668151        4.8035161373        9.1307588249
 Pt         6.9346474713        5.6040933961       -0.1527557499
 Pt         6.9421883525        5.6051252414        6.7991245621
 Pt         5.5498378359        6.4087941274        4.4883840165
 Pt         8.3254975719        4.8036291385        2.1802169369
 Pt         8.3359505326        4.8088489840        9.1435367898
 Pt         9.7097352210        5.6041151086       -0.1400056024
 Pt         9.7149464901        5.6099093542        6.8224253956
 Pt         8.3263747277        6.4088177597        4.4880648740
 Pt        11.0988730897        4.8057556348        2.2050619652
 Pt        11.1078347145        4.8109043616        9.1655191919
 Pt        12.4847132115        5.6048309937       -0.1124427927
 Pt        12.4885351628        5.6120553631        6.8451392066
 Pt        11.1002182795        6.4090226411        4.5157619621
 Pt        -4.1607352693        7.2096250376        2.2079689594
 Pt        -4.1515504446        7.2153951287        9.1705454599
 Pt        -2.7764609566        8.0083579036       -0.1158339934
 Pt        -2.7703386874        8.0146897587        6.8442558293
 Pt        -4.1595376395        8.8113173031        4.5215682455
 Pt        -1.3874918533        7.2090752655        2.2147103113
 Pt        -1.3789902040        7.2162288721        9.1717414528
 Pt        -0.0029431069        8.0079774478       -0.1195175603
 Pt         0.0070733195        8.0130235057        6.8434064091
 Pt        -1.3818471474        8.8102205431        4.5269463759
 Pt         1.3863690615        7.2082714906        2.2002333276
 Pt         1.3964021019        7.2151805048        9.1672861899
 Pt         2.7717217903        8.0077207207       -0.1360133176
 Pt         2.7865434614        8.0091162710        6.8412224302
 Pt         1.3951873632        8.8075463653        4.5217885793
 Pt         4.1605798217        7.2080786268        2.1810447273
 Pt         4.1845539225        7.2173057175        9.1639614015
 Pt         5.5478108580        8.0078434617       -0.1510912888
 Pt         5.5565432985        8.0121888680        6.8028760203
 Pt         4.1624899759        8.8107947206        4.4992961678
 Pt         6.9379052440        7.2076137239        2.1685852673
 Pt         6.9644219113        7.2128749876        9.1070049631
 Pt         8.3240517551        8.0068160856       -0.1498432035
 Pt         8.3322653938        8.0136287788        6.8012405895
 Pt         6.9364043771        8.8111389192        4.4830364492
 Pt         9.7137314211        7.2085063118        2.1830670547
 Pt         9.7270497904        7.2144896115        9.1487023265
 Pt        11.0985759978        8.0075209819       -0.1329195136
 Pt        11.1042338867        8.0144025653        6.8315273141
 Pt         9.7128664174        8.8126856743        4.5012715637
 Pt        -5.5465106628        9.6124856834        2.1948346267
 Pt        -5.5389652841        9.6186856701        9.1628180433
 Pt        -4.1629359125       10.4096682627       -0.1288375536
 Pt        -4.1563616919       10.4169174450        6.8379652768
 Pt        -5.5478717709       11.2141112772        4.5157466282
 Pt        -2.7728048171        9.6128208833        2.2060497707
 Pt        -2.7663290541        9.6186097540        9.1713396213
 Pt        -1.3896065479       10.4108176420       -0.1302132953
 Pt        -1.3827507718       10.4158162201        6.8420127133
 Pt        -2.7714512533       11.2132776061        4.5219881282
 Pt        -0.0011570176        9.6120873872        2.2044400149
 Pt         0.0081290563        9.6183671966        9.1700821312
 Pt         1.3836325739       10.4108778645       -0.1284725000
 Pt         1.3909350830       10.4150095679        6.8363225006
 Pt         0.0045337018       11.2113806102        4.5212779975
 Pt         2.7726967603        9.6118268913        2.1917911337
 Pt         2.7836114918        9.6215708335        9.1572206634
 Pt         4.1592095124       10.4099762334       -0.1385103233
 Pt         4.1658614806       10.4140648936        6.8226407932
 Pt         2.7783380174       11.2136772475        4.5153626823
 Pt         5.5486270718        9.6114829127        2.1774010758
 Pt         5.5641931079        9.6228412221        9.1277364858
 Pt         6.9361318070       10.4116699338       -0.1424524167
 Pt         6.9450471098       10.4155524903        6.8123075494
 Pt         5.5506061305       11.2140336097        4.5050385731
 Pt         8.3266635287        9.6116195253        2.1782066282
 Pt         8.3372593318        9.6183971299        9.1407219318
 Pt         9.7123187467       10.4106663815       -0.1411951096
 Pt         9.7199018975       10.4174408479        6.8263182984
 Pt         8.3250614733       11.2140037007        4.5061204499
 Pt        -6.9336791491       12.0138349049        2.1968007533
 Pt        -6.9280892676       12.0219584196        9.1625521341
 Pt        -5.5499040490       12.8128147886       -0.1275475355
 Pt        -5.5425360528       12.8188394637        6.8369642992
 Pt        -6.9350044197       13.6171491905        4.5218667042
 Pt        -4.1596093482       12.0138410147        2.2013884107
 Pt        -4.1540730897       12.0213699476        9.1682431732
 Pt        -2.7750142998       12.8131200587       -0.1298370254
 Pt        -2.7708004393       12.8182673349        6.8374512141
 Pt        -4.1602510159       13.6173960294        4.5177280035
 Pt        -1.3872056644       12.0131657079        2.2023050112
 Pt        -1.3807079023       12.0208777784        9.1702246560
 Pt        -0.0026699272       12.8129823414       -0.1286222610
 Pt         0.0015457716       12.8183707314        6.8390290619
 Pt        -1.3853596952       13.6164254588        4.5187114728
 Pt         1.3855673783       12.0142924035        2.2021111801
 Pt         1.3932193212       12.0213552667        9.1663653360
 Pt         2.7721034052       12.8133336126       -0.1227995600
 Pt         2.7763759146       12.8174644648        6.8391119292
 Pt         1.3892898565       13.6160939087        4.5223469681
 Pt         4.1606115363       12.0147108099        2.1971005019
 Pt         4.1700271101       12.0216268154        9.1586123656
 Pt         5.5469988921       12.8130700184       -0.1237157728
 Pt         5.5535948226       12.8166714294        6.8367789653
 Pt         4.1641788577       13.6166297552        4.5260857248
 Pt         6.9377040849       12.0142591589        2.1938288555
 Pt         6.9464346610       12.0227121966        9.1557093828
 Pt         8.3235571257       12.8145342393       -0.1253376975
 Pt         8.3307972657       12.8183956526        6.8364062036
 Pt         6.9384981667       13.6163749231        4.5244455844
  O         5.3314212575        7.0132569404       11.9582788424
  H         6.2957815483        7.0241821724       11.7979861914
  H         5.1014573091        6.0654014548       11.8870719712
     183
 i =       17, E =    -21650.0070368238
 Pt         0.0016489655       -0.0007672855        2.2090884504
 Pt         0.0098035881        0.0073618142        9.1683352506
 Pt         1.3857965638        0.7975194579       -0.1194482898
 Pt         1.3937401826        0.8031767888        6.8397821008
 Pt         0.0026374778        1.6023590392        4.5301686537
 Pt         2.7771560954       -0.0013851186        2.2003992550
 Pt         2.7835177488        0.0069555825        9.1652162297
 Pt         4.1608068981        0.7973152675       -0.1361815298
 Pt         4.1675086269        0.8026486777        6.8330585312
 Pt         2.7768674431        1.6035233728        4.5166761126
 Pt         5.5496785099       -0.0017508273        2.1964242598
 Pt         5.5573624714        0.0049325350        9.1649183404
 Pt         6.9347384411        0.7975976461       -0.1353858638
 Pt         6.9401628985        0.8015981670        6.8317627165
 Pt         5.5499300005        1.6014309015        4.5079794797
 Pt         8.3232340649       -0.0022108520        2.1995768361
 Pt         8.3311974272        0.0049973322        9.1680137532
 Pt         9.7089679358        0.7979482568       -0.1231757784
 Pt         9.7125747995        0.8024214494        6.8379291617
 Pt         8.3253595473        1.6017628216        4.5131828784
 Pt        11.0968896088       -0.0007515392        2.2097529358
 Pt        11.1053370811        0.0059988819        9.1677890906
 Pt        12.4838307517        0.7982753533       -0.1087521309
 Pt        12.4890670973        0.8027126838        6.8469727457
 Pt        11.1004263836        1.6027617745        4.5293613046
 Pt        13.8733285775       -0.0005955070        2.2142823672
 Pt        13.8815495746        0.0066247100        9.1696488411
 Pt        15.2582871912        0.7986404360       -0.1076419132
 Pt        15.2661074688        0.8024207422        6.8462605058
 Pt        13.8744492326        1.6031109045        4.5381631832
 Pt        -1.3875368310        2.4022992063        2.2217281898
 Pt        -1.3778946702        2.4098863178        9.1722884106
 Pt        -0.0021682895        3.2023417551       -0.1093433417
 Pt         0.0069343854        3.2072881706        6.8465594823
 Pt        -1.3855035906        4.0056321225        4.5373572488
 Pt         1.3882787673        2.4019041740        2.2070048634
 Pt         1.3979738113        2.4097929584        9.1663132823
 Pt         2.7717222706        3.2001920480       -0.1290358444
 Pt         2.7821971011        3.2054201043        6.8318773851
 Pt         1.3895827225        4.0063897220        4.5229480063
 Pt         4.1623704530        2.4002073747        2.1912619413
 Pt         4.1731835393        2.4091688460        9.1587306840
 Pt         5.5475083587        3.2007012258       -0.1398170697
 Pt         5.5547858039        3.2019115175        6.8156024666
 Pt         4.1631330895        4.0088463212        4.5043446402
 Pt         6.9373659554        2.3995740197        2.1883973184
 Pt         6.9458082424        2.4060356496        9.1555294468
 Pt         8.3226657862        3.2008952610       -0.1375338262
 Pt         8.3271210120        3.2040486057        6.8242409693
 Pt         6.9386462528        4.0046951629        4.4956894339
 Pt         9.7107964628        2.4010039548        2.2020750117
 Pt         9.7194652454        2.4071936490        9.1643035380
 Pt        11.0971750738        3.2010901722       -0.1160908088
 Pt        11.1002422214        3.2069742217        6.8431793443
 Pt         9.7128555526        4.0055747053        4.5131213922
 Pt        12.4857114448        2.4024020401        2.2187142484
 Pt        12.4941205439        2.4087992734        9.1729353249
 Pt        13.8714268707        3.2017154052       -0.1032492256
 Pt        13.8769278546        3.2068392070        6.8519237683
 Pt        12.4872124286        4.0054432861        4.5343494631
 Pt        -2.7748048273        4.8061647795        2.2199927958
 Pt        -2.7648523679        4.8123088348        9.1718910615
 Pt        -1.3886437179        5.6049236017       -0.1084115982
 Pt        -1.3810616813        5.6111614472        6.8478601384
 Pt        -2.7723766527        6.4088253958        4.5310797489
 Pt         0.0001973447        4.8058332296        2.2132232251
 Pt         0.0123355314        4.8130626518        9.1706085347
 Pt         1.3857021940        5.6048758886       -0.1260050782
 Pt         1.3963186551        5.6101596939        6.8401592497
 Pt         0.0033879291        6.4075033890        4.5284297545
 Pt         2.7742297308        4.8049441157        2.1942749438
 Pt         2.7880766505        4.8112171970        9.1582387333
 Pt         4.1590604068        5.6034032680       -0.1403325840
 Pt         4.1700711308        5.6087294103        6.8251207291
 Pt         2.7772126878        6.4093601331        4.5140509112
 Pt         5.5497084613        4.8035020574        2.1800202462
 Pt         5.5669070574        4.8038638589        9.1326235889
 Pt         6.9343238662        5.6040159318       -0.1496242716
 Pt         6.9426149666        5.6056468478        6.8013190041
 Pt         5.5501422418        6.4087581968        4.4919455438
 Pt         8.3253295142        4.8034902814        2.1821367388
 Pt         8.3366669200        4.8091626012        9.1436157015
 Pt         9.7099339175        5.6035198293       -0.1378289950
 Pt         9.7155272037        5.6099758126        6.8226506156
 Pt         8.3265442223        6.4088428585        4.4906407541
 Pt        11.0989633982        4.8055427320        2.2050055054
 Pt        11.1084761872        4.8109736472        9.1653446339
 Pt        12.4845372007        5.6042156499       -0.1139142933
 Pt        12.4889878783        5.6118738672        6.8435419207
 Pt        11.1004628479        6.4095575432        4.5157320746
 Pt        -4.1606474428        7.2093579670        2.2065138482
 Pt        -4.1509742201        7.2151249198        9.1693947820
 Pt        -2.7766834214        8.0079797619       -0.1178566486
 Pt        -2.7697517191        8.0142938439        6.8424334954
 Pt        -4.1590155644        8.8115579229        4.5204187665
 Pt        -1.3872650806        7.2092901988        2.2132828212
 Pt        -1.3779700934        7.2156496493        9.1703082139
 Pt        -0.0029374524        8.0075678240       -0.1194711666
 Pt         0.0074328887        8.0130992170        6.8429771813
 Pt        -1.3818962860        8.8104924902        4.5251053653
 Pt         1.3866200555        7.2082110885        2.2017160001
 Pt         1.3977122782        7.2149906070        9.1671678416
 Pt         2.7715421447        8.0072769337       -0.1329861104
 Pt         2.7873619765        8.0091626929        6.8424441566
 Pt         1.3948389615        8.8081561156        4.5224490486
 Pt         4.1606065522        7.2080595318        2.1844306114
 Pt         4.1848303677        7.2169645759        9.1661771917
 Pt         5.5475594499        8.0074494134       -0.1472711467
 Pt         5.5568767757        8.0121886138        6.8057478164
 Pt         4.1624547013        8.8111019845        4.5020335884
 Pt         6.9376915451        7.2075050052        2.1723303179
 Pt         6.9643182098        7.2131726544        9.1094749271
 Pt         8.3233269553        8.0065506838       -0.1468241937
 Pt         8.3321567360        8.0135069736        6.8030327137
 Pt         6.9366621591        8.8112366824        4.4859100546
 Pt         9.7134198420        7.2082597270        2.1848190828
 Pt         9.7271571942        7.2146317053        9.1482260925
 Pt        11.0982578201        8.0071749420       -0.1316536124
 Pt        11.1049177960        8.0145131922        6.8314067686
 Pt         9.7135464057        8.8129372966        4.5022205429
 Pt        -5.5469392775        9.6124610585        2.1954473421
 Pt        -5.5384763680        9.6185098019        9.1620201434
 Pt        -4.1634777443       10.4091704096       -0.1284156198
 Pt        -4.1558951743       10.4169408581        6.8361806904
 Pt        -5.5470801863       11.2145479807        4.5145817093
 Pt        -2.7727033092        9.6126073331        2.2048293866
 Pt        -2.7653986692        9.6181949662        9.1687348419
 Pt        -1.3895305099       10.4103618480       -0.1292538397
 Pt        -1.3821801217       10.4157059853        6.8401687259
 Pt        -2.7712040066       11.2134314067        4.5201349850
 Pt        -0.0006896442        9.6120167498        2.2046968686
 Pt         0.0093727902        9.6180175437        9.1695211062
 Pt         1.3839053158       10.4104871272       -0.1270598470
 Pt         1.3915679667       10.4150629010        6.8364943663
 Pt         0.0043149661       11.2117002278        4.5205270181
 Pt         2.7731790489        9.6117685383        2.1936493149
 Pt         2.7850749488        9.6211065711        9.1577957068
 Pt         4.1591880262       10.4097191435       -0.1366268349
 Pt         4.1666360670       10.4140004444        6.8236664751
 Pt         2.7781274137       11.2139690212        4.5159521056
 Pt         5.5485749054        9.6116654225        2.1803016637
 Pt         5.5648604808        9.6222509447        9.1302674762
 Pt         6.9356480460       10.4115578203       -0.1410166855
 Pt         6.9452069340       10.4154515773        6.8130790460
 Pt         5.5507388711       11.2140232926        4.5062417432
 Pt         8.3259444916        9.6117246995        2.1803217741
 Pt         8.3374835822        9.6180045072        9.1406124699
 Pt         9.7115392275       10.4104249007       -0.1389169859
 Pt         9.7203980216       10.4176191673        6.8259071357
 Pt         8.3256183669       11.2141913568        4.5066844665
 Pt        -6.9341798054       12.0137103405        2.1965430746
 Pt        -6.9273610059       12.0218025800        9.1614129225
 Pt        -5.5504600742       12.8127791214       -0.1279072383
 Pt        -5.5423399786       12.8189079774        6.8353155357
 Pt        -6.9347671317       13.6171434804        4.5197469115
 Pt        -4.1599221970       12.0137800475        2.2002575320
 Pt        -4.1533595596       12.0210698196        9.1662768947
 Pt        -2.7754111980       12.8133146423       -0.1284467250
 Pt        -2.7703492437       12.8181496587        6.8358673859
 Pt        -4.1599870236       13.6169964150        4.5168461622
 Pt        -1.3868970465       12.0130719134        2.2015211520
 Pt        -1.3799037322       12.0205757755        9.1679878922
 Pt        -0.0026382410       12.8128722663       -0.1287134749
 Pt         0.0024746407       12.8183656892        6.8376294233
 Pt        -1.3848792746       13.6160109127        4.5179625189
 Pt         1.3859222026       12.0141819447        2.2021264415
 Pt         1.3942037647       12.0211999090        9.1655258878
 Pt         2.7720240703       12.8130779518       -0.1232305725
 Pt         2.7771154925       12.8176241881        6.8380757278
 Pt         1.3896314888       13.6162049464        4.5207466701
 Pt         4.1608652665       12.0147711411        2.1974214164
 Pt         4.1710938816       12.0212745005        9.1577280982
 Pt         5.5467905043       12.8130480661       -0.1237627384
 Pt         5.5541292200       12.8170797230        6.8358420164
 Pt         4.1642099899       13.6166482003        4.5245945043
 Pt         6.9374706625       12.0142203980        2.1944027300
 Pt         6.9472789763       12.0223372263        9.1543077018
 Pt         8.3229590703       12.8142975237       -0.1259925756
 Pt         8.3312071711       12.8185909752        6.8350446154
 Pt         6.9389452685       13.6162996188        4.5229062476
  O         5.3222116010        7.0046726124       11.9555228691
  H         6.2816019855        7.0232435968       11.7892132914
  H         5.0940511000        6.0612561109       11.8896884563
     183
 i =       18, E =    -21650.0072816285
 Pt         0.0020110332       -0.0004861197        2.2040874633
 Pt         0.0114903956        0.0073389686        9.1647014458
 Pt         1.3849934469        0.7972363471       -0.1245470217
 Pt         1.3945688856        0.8034342641        6.8365023498
 Pt         0.0043492093        1.6023190046        4.5257630538
 Pt         2.7770284671       -0.0011297606        2.1974350205
 Pt         2.7852030039        0.0070843274        9.1620592970
 Pt         4.1600172058        0.7975055216       -0.1356076664
 Pt         4.1685546863        0.8026214754        6.8323300967
 Pt         2.7779100764        1.6030145765        4.5154064767
 Pt         5.5497998771       -0.0013781733        2.1974989980
 Pt         5.5592531354        0.0051990047        9.1627802949
 Pt         6.9342455867        0.7977774543       -0.1329541552
 Pt         6.9418764401        0.8015184973        6.8311703442
 Pt         5.5506228983        1.6005277555        4.5107677077
 Pt         8.3239428734       -0.0021181513        2.1975325226
 Pt         8.3331296283        0.0049055978        9.1658015623
 Pt         9.7086155536        0.7976881721       -0.1272151587
 Pt         9.7141045552        0.8027850734        6.8348448919
 Pt         8.3259464090        1.6011153995        4.5119665181
 Pt        11.0968813133       -0.0007273366        2.2055844514
 Pt        11.1073002018        0.0060143077        9.1641838516
 Pt        12.4832320156        0.7979589405       -0.1117534215
 Pt        12.4903534721        0.8030205829        6.8422395050
 Pt        11.1006140292        1.6031002601        4.5252283599
 Pt        13.8733613100       -0.0003613227        2.2120029349
 Pt        13.8833826064        0.0066192138        9.1665893676
 Pt        15.2573066504        0.7984236275       -0.1102736770
 Pt        15.2673243283        0.8026909791        6.8414865785
 Pt        13.8753346180        1.6033437270        4.5338291896
 Pt        -1.3870159031        2.4027063264        2.2196197520
 Pt        -1.3761956388        2.4098381068        9.1668804990
 Pt        -0.0033413113        3.2017528863       -0.1114777918
 Pt         0.0085312569        3.2072310828        6.8432855465
 Pt        -1.3837094810        4.0066702224        4.5332100374
 Pt         1.3889993562        2.4019408692        2.2042818349
 Pt         1.3995693507        2.4098404371        9.1653716110
 Pt         2.7706838149        3.1998856272       -0.1281891452
 Pt         2.7832816279        3.2053975628        6.8323544688
 Pt         1.3913175240        4.0065892192        4.5225450506
 Pt         4.1625646436        2.4008190026        2.1938200116
 Pt         4.1751799597        2.4098759355        9.1584861655
 Pt         5.5468873017        3.2008722933       -0.1344693779
 Pt         5.5560610276        3.2028674032        6.8188171761
 Pt         4.1641199949        4.0085298247        4.5086014671
 Pt         6.9374178597        2.4001059632        2.1914455632
 Pt         6.9483443698        2.4067279468        9.1553010762
 Pt         8.3224364939        3.2006140526       -0.1357900618
 Pt         8.3285645180        3.2042088569        6.8243582847
 Pt         6.9389364102        4.0041330313        4.5000778488
 Pt         9.7109408670        2.4010318626        2.1998369392
 Pt         9.7214995333        2.4072642467        9.1629825823
 Pt        11.0970332631        3.2003958307       -0.1197632756
 Pt        11.1012159652        3.2071880188        6.8402085411
 Pt         9.7128399750        4.0056875861        4.5129686009
 Pt        12.4856111203        2.4026054040        2.2159937225
 Pt        12.4959516782        2.4089207218        9.1672785186
 Pt        13.8706201349        3.2011998147       -0.1049153839
 Pt        13.8783094325        3.2069857537        6.8441878731
 Pt        12.4873794292        4.0064956056        4.5300070018
 Pt        -2.7743303908        4.8067624507        2.2170921625
 Pt        -2.7628966975        4.8121925116        9.1661529731
 Pt        -1.3896237307        5.6043662996       -0.1113465044
 Pt        -1.3793977713        5.6109838029        6.8437469695
 Pt        -2.7718015741        6.4099184720        4.5270663962
 Pt         0.0009003241        4.8060154444        2.2116792466
 Pt         0.0141831902        4.8128200297        9.1693727230
 Pt         1.3845088076        5.6039428979       -0.1247089158
 Pt         1.3973326648        5.6102122824        6.8404391678
 Pt         0.0042994304        6.4085265971        4.5269282893
 Pt         2.7747050792        4.8049719429        2.1967305712
 Pt         2.7897913069        4.8109047581        9.1596860431
 Pt         4.1580542133        5.6027709042       -0.1359643455
 Pt         4.1710747760        5.6094454126        6.8298551377
 Pt         2.7780108967        6.4098417907        4.5178955297
 Pt         5.5495576715        4.8040702005        2.1861504358
 Pt         5.5689774453        4.8043101011        9.1370027011
 Pt         6.9336052298        5.6037208448       -0.1438473708
 Pt         6.9437642052        5.6066079734        6.8060249780
 Pt         5.5507052984        6.4088689728        4.4990232460
 Pt         8.3248200432        4.8034925697        2.1854779964
 Pt         8.3386417049        4.8097079021        9.1445395469
 Pt         9.7097892423        5.6026291532       -0.1347549757
 Pt         9.7171319305        5.6101170699        6.8230811170
 Pt         8.3269913373        6.4090332065        4.4952726734
 Pt        11.0991332004        4.8054202333        2.2042219936
 Pt        11.1102340169        4.8112045897        9.1642418410
 Pt        12.4840251427        5.6032844944       -0.1172557784
 Pt        12.4900922454        5.6117295883        6.8402253819
 Pt        11.1009728741        6.4105680394        4.5151219594
 Pt        -4.1605280217        7.2090817355        2.2033219899
 Pt        -4.1493305201        7.2148387989        9.1666333907
 Pt        -2.7772805754        8.0070642850       -0.1225187663
 Pt        -2.7684072288        8.0138290034        6.8388410853
 Pt        -4.1581079052        8.8121468324        4.5178351581
 Pt        -1.3869019396        7.2093989240        2.2099631443
 Pt        -1.3756433723        7.2149396889        9.1672716085
 Pt        -0.0031245387        8.0065552291       -0.1199178023
 Pt         0.0085542821        8.0132424909        6.8417536594
 Pt        -1.3816568354        8.8111054391        4.5215731940
 Pt         1.3872177215        7.2079114179        2.2043983205
 Pt         1.4002313254        7.2146240992        9.1674352475
 Pt         2.7710703172        8.0062519239       -0.1282711350
 Pt         2.7888061255        8.0092448458        6.8457448199
 Pt         1.3947816900        8.8091642456        4.5238019968
 Pt         4.1609202529        7.2079379272        2.1908836573
 Pt         4.1865344995        7.2161835256        9.1733676394
 Pt         5.5469412657        8.0065787820       -0.1403164254
 Pt         5.5579029780        8.0124206286        6.8123547433
 Pt         4.1625857613        8.8116475459        4.5077532617
 Pt         6.9373763122        7.2073023017        2.1791552925
 Pt         6.9650418436        7.2134826800        9.1153958541
 Pt         8.3219918297        8.0056660884       -0.1414163886
 Pt         8.3328947108        8.0135523341        6.8060974036
 Pt         6.9374094248        8.8114522220        4.4915091297
 Pt         9.7128231680        7.2080105824        2.1873401513
 Pt         9.7280716635        7.2149395446        9.1478823503
 Pt        11.0973425671        8.0062215477       -0.1303846096
 Pt        11.1063692975        8.0147024855        6.8304688002
 Pt         9.7147992340        8.8136030922        4.5035982725
 Pt        -5.5476114844        9.6119164684        2.1955765178
 Pt        -5.5369555490        9.6183545966        9.1597863571
 Pt        -4.1644857306       10.4081395100       -0.1286799448
 Pt        -4.1547676570       10.4169615101        6.8326239203
 Pt        -5.5458810705       11.2150433286        4.5120744692
 Pt        -2.7728131367        9.6119814386        2.2018363254
 Pt        -2.7631598101        9.6175037195        9.1636606313
 Pt        -1.3896735193       10.4095850648       -0.1289618613
 Pt        -1.3806291335       10.4154610270        6.8368231279
 Pt        -2.7705490827       11.2137575992        4.5165854744
 Pt         0.0002652243        9.6116906683        2.2043580582
 Pt         0.0120634553        9.6174610551        9.1680113529
 Pt         1.3842667099       10.4098032774       -0.1249636673
 Pt         1.3931937200       10.4151717262        6.8365662278
 Pt         0.0045331265       11.2121164091        4.5188679154
 Pt         2.7741347622        9.6116301846        2.1970511223
 Pt         2.7879136378        9.6205702675        9.1594694255
 Pt         4.1589984758       10.4091308341       -0.1337881233
 Pt         4.1682462669       10.4141697257        6.8259761778
 Pt         2.7780487806       11.2144148787        4.5166529562
 Pt         5.5485519903        9.6116955386        2.1854959071
 Pt         5.5666758036        9.6215520976        9.1355161471
 Pt         6.9343856485       10.4111309172       -0.1387832817
 Pt         6.9459009650       10.4156091722        6.8146599699
 Pt         5.5510783023       11.2142371527        4.5080745412
 Pt         8.3246718167        9.6112994345        2.1840839764
 Pt         8.3386201135        9.6176096258        9.1409470402
 Pt         9.7100546520       10.4096925789       -0.1363757556
 Pt         9.7213865641       10.4178648157        6.8249521577
 Pt         8.3267394891       11.2142839385        4.5068819614
 Pt        -6.9351092445       12.0138224089        2.1954762161
 Pt        -6.9255318044       12.0217198188        9.1585450907
 Pt        -5.5516034047       12.8126270306       -0.1295872877
 Pt        -5.5417065657       12.8190755080        6.8319409171
 Pt        -6.9339261917       13.6171639068        4.5157320171
 Pt        -4.1603720779       12.0136803988        2.1974343804
 Pt        -4.1515822956       12.0207028870        9.1620422972
 Pt        -2.7761308011       12.8133848841       -0.1271328791
 Pt        -2.7690574197       12.8180757337        6.8328525127
 Pt        -4.1592363550       13.6166723185        4.5148821461
 Pt        -1.3863673869       12.0131260906        2.1994630089
 Pt        -1.3777657054       12.0201236313        9.1636317879
 Pt        -0.0027365177       12.8125991675       -0.1295133259
 Pt         0.0045413211       12.8185670479        6.8350084393
 Pt        -1.3839473437       13.6156075235        4.5163475228
 Pt         1.3868371669       12.0141229549        2.2012894097
 Pt         1.3965355293       12.0210753714        9.1636421926
 Pt         2.7717719917       12.8124903663       -0.1251614353
 Pt         2.7787548619       12.8180089412        6.8356807148
 Pt         1.3902298312       13.6163831195        4.5176306087
 Pt         4.1611705636       12.0149262607        2.1976993868
 Pt         4.1734770765       12.0209306893        9.1562496227
 Pt         5.5460991109       12.8128558162       -0.1247364802
 Pt         5.5553387492       12.8179401863        6.8335930070
 Pt         4.1645087201       13.6168575727        4.5213664259
 Pt         6.9371479444       12.0143998305        2.1945836111
 Pt         6.9493494716       12.0220174640        9.1518449691
 Pt         8.3215975038       12.8138656993       -0.1282812886
 Pt         8.3322702961       12.8190682181        6.8318447579
 Pt         6.9399164385       13.6164315240        4.5197190653
  O         5.2897697422        6.9896350762       11.9556647645
  H         6.2431790926        7.0287646793       11.7806634632
  H         5.0801217838        6.0455730438       11.9114188105
     183
 i =       19, E =    -21650.0077362287
 Pt         0.0041948911        0.0009998309        2.1739276919
 Pt         0.0221657310        0.0074454643        9.1428220436
 Pt         1.3798323003        0.7953809686       -0.1560712050
 Pt         1.3998968302        0.8050467506        6.8163500343
 Pt         0.0148306524        1.6022199127        4.4979029291
 Pt         2.7764629416        0.0003512512        2.1792273388
 Pt         2.7958478506        0.0077379206        9.1433334748
 Pt         4.1550984114        0.7982655898       -0.1333249226
 Pt         4.1752919234        0.8023198065        6.8276847811
 Pt         2.7845957606        1.6003409058        4.5072257802
 Pt         5.5503704154        0.0009659691        2.2025273927
 Pt         5.5713776557        0.0062887465        9.1504358129
 Pt         6.9310955771        0.7985719742       -0.1201639535
 Pt         6.9524749301        0.8012219233        6.8275610436
 Pt         5.5549500566        1.5960914644        4.5261417376
 Pt         8.3281249835       -0.0013560088        2.1847647712
 Pt         8.3458195470        0.0043981890        9.1526888558
 Pt         9.7061905176        0.7960482963       -0.1529073480
 Pt         9.7240174538        0.8051350102        6.8158552320
 Pt         8.3296247310        1.5978976327        4.5041992273
 Pt        11.0968726241       -0.0006391746        2.1797061002
 Pt        11.1200968408        0.0064821175        9.1427925958
 Pt        12.4794191873        0.7958607615       -0.1311197903
 Pt        12.4986845148        0.8054279795        6.8135472541
 Pt        11.1020535267        1.6051600855        4.4987822891
 Pt        13.8737473979        0.0008576120        2.1966714361
 Pt        13.8950885215        0.0069233101        9.1479954823
 Pt        15.2513360574        0.7968289936       -0.1276501384
 Pt        15.2748855559        0.8047764994        6.8122959300
 Pt        13.8806743551        1.6050081195        4.5059422505
 Pt        -1.3839030699        2.4048712768        2.2049904649
 Pt        -1.3654482864        2.4096142579        9.1351568568
 Pt        -0.0102652926        3.1981890948       -0.1256444979
 Pt         0.0180444473        3.2070586414        6.8233978535
 Pt        -1.3731749786        4.0128194592        4.5070377584
 Pt         1.3932569564        2.4020367285        2.1873095314
 Pt         1.4094972922        2.4098997786        9.1595819760
 Pt         2.7644970457        3.1978811596       -0.1248291713
 Pt         2.7901020726        3.2051677255        6.8357402328
 Pt         1.4016633960        4.0078451878        4.5198733239
 Pt         4.1638793289        2.4044480432        2.2075544385
 Pt         4.1875247656        2.4133310687        9.1585973071
 Pt         5.5429776475        3.2015267041       -0.1044319775
 Pt         5.5640744895        3.2081248216        6.8386677586
 Pt         4.1700684378        4.0071192821        4.5338162009
 Pt         6.9377399300        2.4035979080        2.2082731382
 Pt         6.9640424662        2.4100095814        9.1553004613
 Pt         8.3205628770        3.1988951463       -0.1269859407
 Pt         8.3376404655        3.2053457917        6.8259736578
 Pt         6.9410662098        4.0011513113        4.5265680351
 Pt         9.7117952268        2.4014459316        2.1849073730
 Pt         9.7346872158        2.4078220271        9.1550172953
 Pt        11.0955793438        3.1962279775       -0.1429552760
 Pt        11.1080149304        3.2084802368        6.8217456634
 Pt         9.7131983973        4.0063807335        4.5114191303
 Pt        12.4849988648        2.4038866242        2.1978422608
 Pt        12.5077620473        2.4097563969        9.1340723729
 Pt        13.8655919164        3.1979945251       -0.1168082406
 Pt        13.8868943601        3.2079184305        6.8011848261
 Pt        12.4889488389        4.0126191309        4.5038729140
 Pt        -2.7717503200        4.8100739920        2.1982343336
 Pt        -2.7507330598        4.8113607893        9.1323318753
 Pt        -1.3955481872        5.6008588183       -0.1296882134
 Pt        -1.3694081524        5.6100073100        6.8190647109
 Pt        -2.7678331858        6.4166117571        4.5014893748
 Pt         0.0052685926        4.8070392847        2.2012260956
 Pt         0.0255023699        4.8111808375        9.1620527706
 Pt         1.3777085146        5.5985693159       -0.1180686182
 Pt         1.4037422167        5.6104755523        6.8430025852
 Pt         0.0100078757        6.4144957333        4.5175452262
 Pt         2.7776472487        4.8053745667        2.2108989814
 Pt         2.8004638107        4.8088312456        9.1700501167
 Pt         4.1520901466        5.5989877391       -0.1102072022
 Pt         4.1773629060        5.6134941547        6.8603304160
 Pt         2.7831392878        6.4126648781        4.5416346915
 Pt         5.5487442747        4.8075754775        2.2223492156
 Pt         5.5823596858        4.8061594851        9.1641936304
 Pt         6.9289370198        5.6017648301       -0.1098158933
 Pt         6.9511296193        5.6118248500        6.8355493804
 Pt         5.5541131019        6.4097451104        4.5430228019
 Pt         8.3221190814        4.8034760302        2.2047576512
 Pt         8.3512792263        4.8126280942        9.1522004784
 Pt         9.7081731764        5.5972436229       -0.1185728045
 Pt         9.7269912785        5.6108852705        6.8264608238
 Pt         8.3298527096        6.4099535331        4.5235636195
 Pt        11.1000233379        4.8045876477        2.1975320538
 Pt        11.1217715847        4.8124689601        9.1573498992
 Pt        12.4805821762        5.5978804334       -0.1391773393
 Pt        12.4974947665        5.6109338402        6.8195259200
 Pt        11.1042391529        6.4162378814        4.5107777179
 Pt        -4.1599683975        7.2073876244        2.1832086029
 Pt        -4.1384844193        7.2131491855        9.1499862532
 Pt        -2.7811335604        8.0015613711       -0.1503763824
 Pt        -2.7600347883        8.0111334707        6.8168532719
 Pt        -4.1524667720        8.8157534298        4.5013192644
 Pt        -1.3845977141        7.2102737866        2.1887070175
 Pt        -1.3616292700        7.2108926688        9.1490515792
 Pt        -0.0044021576        8.0005188406       -0.1235978732
 Pt         0.0156276148        8.0139435762        6.8348382527
 Pt        -1.3796661379        8.8150100710        4.5005486036
 Pt         1.3910602390        7.2062606972        2.2191865111
 Pt         1.4152071636        7.2124427954        9.1708732641
 Pt         2.7680971744        8.0000395029       -0.1014356094
 Pt         2.7981765409        8.0094684789        6.8683484519
 Pt         1.3954733480        8.8146857180        4.5318219801
 Pt         4.1627107690        7.2072553832        2.2291873004
 Pt         4.1985317101        7.2115607672        9.2201117701
 Pt         5.5428765423        8.0012754708       -0.0995519295
 Pt         5.5643866251        8.0136934631        6.8541927151
 Pt         4.1639257323        8.8147412981        4.5429163366
 Pt         6.9353605234        7.2060982944        2.2202338283
 Pt         6.9716635201        7.2152416557        9.1507064909
 Pt         8.3138791956        8.0003322796       -0.1100857567
 Pt         8.3381393517        8.0140281534        6.8255631794
 Pt         6.9413677699        8.8127641356        4.5256956806
 Pt         9.7094339680        7.2062854389        2.2015763138
 Pt         9.7350911415        7.2169072932        9.1477158219
 Pt        11.0915850303        8.0005057513       -0.1251978717
 Pt        11.1154765877        8.0155695656        6.8250492090
 Pt         9.7220780705        8.8173695846        4.5114400136
 Pt        -5.5518417414        9.6090086482        2.1945876845
 Pt        -5.5265488144        9.6177514240        9.1464528530
 Pt        -4.1706613271       10.4020924863       -0.1319259818
 Pt        -4.1475663957       10.4171916284        6.8111024007
 Pt        -5.5387848327       11.2180230347        4.4964943686
 Pt        -2.7731843670        9.6085988322        2.1821042196
 Pt        -2.7492115777        9.6136980358        9.1335212439
 Pt        -1.3908844361       10.4049136986       -0.1293041185
 Pt        -1.3710076607       10.4143111045        6.8168191642
 Pt        -2.7663667946       11.2157570103        4.4950892208
 Pt         0.0057809213        9.6097610921        2.2012129856
 Pt         0.0281519491        9.6143773389        9.1591870574
 Pt         1.3859970827       10.4054138258       -0.1136400298
 Pt         1.4032178094       10.4159199157        6.8371136963
 Pt         0.0063380033       11.2144091855        4.5082877713
 Pt         2.7800203973        9.6104257523        2.2163076299
 Pt         2.8046900036        9.6180669682        9.1711598990
 Pt         4.1574892325       10.4050772449       -0.1179959000
 Pt         4.1780920507       10.4153913443        6.8408847149
 Pt         2.7783298693       11.2170995260        4.5203533001
 Pt         5.5484598936        9.6118355797        2.2161071464
 Pt         5.5784070162        9.6183401859        9.1674400294
 Pt         6.9267039721       10.4081940522       -0.1259667520
 Pt         6.9506531999       10.4169428931        6.8250398822
 Pt         5.5534674929       11.2158350143        4.5187349248
 Pt         8.3174122088        9.6090971059        2.2053141003
 Pt         8.3467714987        9.6158206109        9.1448113111
 Pt         9.7011146760       10.4052078013       -0.1237000369
 Pt         9.7277297759       10.4195477347        6.8194208909
 Pt         8.3331885169       11.2151056982        4.5072957997
 Pt        -6.9404811180       12.0139877132        2.1871875995
 Pt        -6.9139442536       12.0217408427        9.1412491177
 Pt        -5.5585703197       12.8113487034       -0.1406576921
 Pt        -5.5373074911       12.8201493333        6.8113561409
 Pt        -6.9284157781       13.6173632886        4.4907901475
 Pt        -4.1631643821       12.0130161195        2.1804651204
 Pt        -4.1401047935       12.0187606102        9.1366109653
 Pt        -2.7806240606       12.8134430736       -0.1209419011
 Pt        -2.7608650095       12.8176998547        6.8149017037
 Pt        -4.1544485619       13.6148463269        4.5024468367
 Pt        -1.3832526107       12.0130688342        2.1864339652
 Pt        -1.3641897707       12.0176213795        9.1380997882
 Pt        -0.0037626343       12.8107538394       -0.1353065515
 Pt         0.0172278931       12.8197549884        6.8192565432
 Pt        -1.3783342424       13.6133414056        4.5063176268
 Pt         1.3922772009       12.0134997320        2.1948643348
 Pt         1.4110124207       12.0207532061        9.1525594328
 Pt         2.7700575913       12.8086821194       -0.1387887198
 Pt         2.7889385271       12.8205263042        6.8215916339
 Pt         1.3938158752       13.6173524273        4.4982684729
 Pt         4.1631913519       12.0156089296        2.1979849887
 Pt         4.1881117323       12.0195481934        9.1487215577
 Pt         5.5416829152       12.8111762095       -0.1324477656
 Pt         5.5629335193       12.8231401951        6.8203897561
 Pt         4.1664367490       13.6183828700        4.5021400080
 Pt         6.9353080167       12.0152179347        2.1943456401
 Pt         6.9623546757       12.0208379313        9.1384547117
 Pt         8.3135144248       12.8109628300       -0.1433854734
 Pt         8.3388458717       12.8221676059        6.8126605494
 Pt         6.9460794029       13.6174114084        4.5000644746
  O         5.0717853632        6.9049541699       11.9571088710
  H         5.9931790926        7.0744421653       11.7344256074
  H         4.9935986829        5.9466862942       12.0610399132
     183
 i =       20, E =    -21650.0082402096
 Pt         0.0040630168        0.0008371000        2.1710163837
 Pt         0.0243048954        0.0077174425        9.1405204027
 Pt         1.3784916556        0.7952923217       -0.1597885559
 Pt         1.4010894589        0.8052855996        6.8140830379
 Pt         0.0156989913        1.6030444937        4.4954414175
 Pt         2.7761792616        0.0007126519        2.1758853494
 Pt         2.7975716951        0.0075970443        9.1418687766
 Pt         4.1544658250        0.7977661291       -0.1350358318
 Pt         4.1766184794        0.8022420602        6.8284729712
 Pt         2.7861497087        1.6007288263        4.5062949486
 Pt         5.5505120874        0.0014319775        2.1997990646
 Pt         5.5738057707        0.0053513727        9.1500162400
 Pt         6.9301394345        0.7981599017       -0.1217675458
 Pt         6.9543494610        0.8013320244        6.8286384112
 Pt         5.5558288948        1.5970763818        4.5252123461
 Pt         8.3284509434       -0.0006610088        2.1822684661
 Pt         8.3492682027        0.0045379012        9.1511717751
 Pt         9.7053561108        0.7955709453       -0.1563526004
 Pt         9.7263682673        0.8054229037        6.8141192042
 Pt         8.3302386886        1.5984788824        4.5043323935
 Pt        11.0974462040       -0.0004944917        2.1764950951
 Pt        11.1229892928        0.0071395543        9.1408936116
 Pt        12.4786445171        0.7949424470       -0.1396913669
 Pt        12.5004849139        0.8063129120        6.8096664945
 Pt        11.1030057071        1.6055260750        4.4957467124
 Pt        13.8739787021        0.0007990598        2.1902687539
 Pt        13.8976070653        0.0070316476        9.1444730153
 Pt        15.2507166839        0.7961303282       -0.1363193927
 Pt        15.2763362097        0.8056357908        6.8081404774
 Pt        13.8814233412        1.6060428921        4.5010297732
 Pt        -1.3831947726        2.4045390334        2.1973337513
 Pt        -1.3633652338        2.4092084321        9.1329077987
 Pt        -0.0105639338        3.1977725966       -0.1327053321
 Pt         0.0187583626        3.2072843418        6.8211774899
 Pt        -1.3725446271        4.0130721217        4.5034782175
 Pt         1.3934918702        2.4021228835        2.1847290781
 Pt         1.4112638745        2.4092749328        9.1590872501
 Pt         2.7640793570        3.1977463818       -0.1276477929
 Pt         2.7905787732        3.2045638054        6.8382343472
 Pt         1.4022068075        4.0080346613        4.5193637234
 Pt         4.1637578091        2.4047744884        2.2072149910
 Pt         4.1887707492        2.4113865593        9.1631010973
 Pt         5.5421779667        3.2011663816       -0.1034665019
 Pt         5.5650337732        3.2058379061        6.8424050602
 Pt         4.1706953816        4.0078549881        4.5367333465
 Pt         6.9381317154        2.4043752627        2.2086380453
 Pt         6.9661875867        2.4081995370        9.1595223504
 Pt         8.3191800843        3.1989551220       -0.1293767152
 Pt         8.3400603602        3.2047560391        6.8295853948
 Pt         6.9419157847        4.0018504576        4.5296844752
 Pt         9.7117524195        2.4016051275        2.1827783799
 Pt         9.7376844101        2.4078485715        9.1546458024
 Pt        11.0939096498        3.1958531839       -0.1470272855
 Pt        11.1107792494        3.2086020605        6.8188319118
 Pt         9.7147000318        4.0063902581        4.5111038722
 Pt        12.4851500307        2.4038112521        2.1898210854
 Pt        12.5100782553        2.4095492547        9.1317972778
 Pt        13.8649241668        3.1974580989       -0.1247831297
 Pt        13.8886615375        3.2081950236        6.7996011063
 Pt        12.4904259991        4.0127606267        4.5000533126
 Pt        -2.7717087436        4.8097605630        2.1910067359
 Pt        -2.7490438565        4.8106394068        9.1300818171
 Pt        -1.3959641052        5.6001084682       -0.1364960843
 Pt        -1.3683513001        5.6098165589        6.8169869994
 Pt        -2.7664557193        6.4170111592        4.4980689856
 Pt         0.0057256573        4.8070491965        2.1974468118
 Pt         0.0272212661        4.8105441183        9.1610740000
 Pt         1.3779355538        5.5983046078       -0.1200603483
 Pt         1.4043465402        5.6099736877        6.8460031357
 Pt         0.0109036669        6.4145993481        4.5172686227
 Pt         2.7779808616        4.8053202723        2.2137289826
 Pt         2.8012956192        4.8075205118        9.1756126870
 Pt         4.1516880762        5.5984564489       -0.1056087549
 Pt         4.1776030046        5.6118210369        6.8678690621
 Pt         2.7837108505        6.4128980253        4.5472478914
 Pt         5.5487302792        4.8077897307        2.2264754898
 Pt         5.5852570143        4.8042641764        9.1700427429
 Pt         6.9278966846        5.6010779851       -0.1053686228
 Pt         6.9530499262        5.6104775954        6.8425220372
 Pt         5.5542412366        6.4102844988        4.5503875604
 Pt         8.3225883418        4.8036264464        2.2076977671
 Pt         8.3541365279        4.8118092665        9.1589567516
 Pt         9.7063165932        5.5970249642       -0.1207465277
 Pt         9.7292416839        5.6103326169        6.8299502888
 Pt         8.3307293747        6.4097196017        4.5273226572
 Pt        11.0997061577        4.8048425559        2.1929298837
 Pt        11.1245313007        4.8120917587        9.1563410624
 Pt        12.4792246937        5.5978787952       -0.1435417986
 Pt        12.4997217569        5.6108809576        6.8162964201
 Pt        11.1052190783        6.4159151287        4.5094886590
 Pt        -4.1602779816        7.2072168384        2.1803383935
 Pt        -4.1355876541        7.2127290878        9.1483305996
 Pt        -2.7820460888        8.0010869954       -0.1538698458
 Pt        -2.7586473495        8.0109293074        6.8138266565
 Pt        -4.1519756580        8.8160597558        4.4979947746
 Pt        -1.3841970123        7.2096719302        2.1848251150
 Pt        -1.3601948611        7.2106274922        9.1468809113
 Pt        -0.0049794591        8.0001575496       -0.1265618472
 Pt         0.0169005497        8.0135669496        6.8350041403
 Pt        -1.3781323816        8.8155490799        4.4985532259
 Pt         1.3920115160        7.2063518748        2.2173310623
 Pt         1.4153020645        7.2118271490        9.1760821011
 Pt         2.7678636579        7.9995429745       -0.0994137522
 Pt         2.7979514158        8.0096603094        6.8764497001
 Pt         1.3974534331        8.8138462856        4.5340051074
 Pt         4.1630718090        7.2071710272        2.2342083494
 Pt         4.2005771328        7.2098713510        9.2318590835
 Pt         5.5416263354        8.0010007002       -0.0959904770
 Pt         5.5652297666        8.0143562786        6.8627468771
 Pt         4.1650997146        8.8145002622        4.5488218877
 Pt         6.9349421328        7.2061770258        2.2251958983
 Pt         6.9769265748        7.2151558196        9.1579376261
 Pt         8.3131473441        7.9998118846       -0.1069905350
 Pt         8.3422446707        8.0151033744        6.8295948856
 Pt         6.9411507286        8.8128619560        4.5306263911
 Pt         9.7094735493        7.2057533420        2.2033938772
 Pt         9.7390915878        7.2167848692        9.1534298765
 Pt        11.0900381673        7.9999177215       -0.1290815751
 Pt        11.1172610619        8.0151234538        6.8252436805
 Pt         9.7221350784        8.8173105469        4.5129706063
 Pt        -5.5527492795        9.6083575810        2.1911729865
 Pt        -5.5231728514        9.6181145366        9.1457222279
 Pt        -4.1713731253       10.4019471018       -0.1357190555
 Pt        -4.1459484752       10.4171033628        6.8094744898
 Pt        -5.5387495145       11.2176128479        4.4949606462
 Pt        -2.7733831232        9.6083511180        2.1781354952
 Pt        -2.7471211633        9.6134707547        9.1310750580
 Pt        -1.3918826409       10.4047348769       -0.1347614616
 Pt        -1.3693718971       10.4144070282        6.8153638893
 Pt        -2.7654219622       11.2157411288        4.4921852364
 Pt         0.0060864156        9.6093492710        2.1978305487
 Pt         0.0292964759        9.6143160097        9.1586386920
 Pt         1.3853235941       10.4047098667       -0.1151454804
 Pt         1.4045243491       10.4162643790        6.8382653725
 Pt         0.0079443358       11.2141249444        4.5064476082
 Pt         2.7807212252        9.6098583863        2.2191094159
 Pt         2.8053781452        9.6196455238        9.1765724550
 Pt         4.1566815914       10.4039108753       -0.1173545460
 Pt         4.1786576917       10.4169451825        6.8452532512
 Pt         2.7797618800       11.2172060409        4.5204415563
 Pt         5.5486822457        9.6115460079        2.2194048497
 Pt         5.5809074992        9.6203029481        9.1730512954
 Pt         6.9255717514       10.4071995879       -0.1243864919
 Pt         6.9526480840       10.4187710762        6.8294988868
 Pt         5.5541696170       11.2167947181        4.5201724709
 Pt         8.3178468607        9.6090261261        2.2062578109
 Pt         8.3503838447        9.6174774571        9.1504539788
 Pt         9.6999808150       10.4043237954       -0.1269471599
 Pt         9.7289846917       10.4198231289        6.8208090520
 Pt         8.3334347075       11.2151870175        4.5068775301
 Pt        -6.9406917754       12.0137237461        2.1826727901
 Pt        -6.9117262255       12.0225653701        9.1401568384
 Pt        -5.5595447988       12.8106727909       -0.1442791704
 Pt        -5.5359167356       12.8205254694        6.8095775274
 Pt        -6.9268927359       13.6175908822        4.4871655386
 Pt        -4.1636507375       12.0129998427        2.1789936464
 Pt        -4.1376583928       12.0190338276        9.1337496536
 Pt        -2.7811422085       12.8128117389       -0.1246363749
 Pt        -2.7589906002       12.8178505289        6.8141383724
 Pt        -4.1533557985       13.6154542902        4.5001353575
 Pt        -1.3829479815       12.0129388482        2.1847972811
 Pt        -1.3615751359       12.0175803431        9.1365277226
 Pt        -0.0047869017       12.8102598997       -0.1380537502
 Pt         0.0189791505       12.8201233419        6.8185098599
 Pt        -1.3776696885       13.6140755064        4.5048055583
 Pt         1.3930678858       12.0133633602        2.1917439266
 Pt         1.4131886197       12.0212208386        9.1523392938
 Pt         2.7695176633       12.8080234081       -0.1425343879
 Pt         2.7906171891       12.8213196315        6.8210304312
 Pt         1.3942622929       13.6172945703        4.4951620275
 Pt         4.1633997714       12.0152648957        2.1958433772
 Pt         4.1897780203       12.0208191973        9.1523853638
 Pt         5.5406460705       12.8101689097       -0.1362341707
 Pt         5.5642378387       12.8241014513        6.8200557760
 Pt         4.1672840983       13.6191603477        4.4996592444
 Pt         6.9353803772       12.0151231443        2.1919135529
 Pt         6.9642351412       12.0222087350        9.1419704481
 Pt         8.3127734521       12.8102219616       -0.1479891888
 Pt         8.3398640891       12.8231916329        6.8112749571
 Pt         6.9470379034       13.6181514690        4.4964858780
  O         5.0289822123        6.8861188123       11.9544311184
  H         5.9479583611        7.0862126941       11.7173193460
  H         4.9817411993        5.9285855329       12.0847958475
     183
 i =       21, E =    -21650.0076845962
 Pt         0.0003345600       -0.0006712979        2.1928944574
 Pt         0.0203376602        0.0079669944        9.1553790914
 Pt         1.3795330024        0.7967520409       -0.1378155723
 Pt         1.3997507348        0.8043091012        6.8277060819
 Pt         0.0071983466        1.6058356003        4.5139451761
 Pt         2.7759774939        0.0001587058        2.1848857813
 Pt         2.7928103913        0.0065205072        9.1556880447
 Pt         4.1572785764        0.7952728246       -0.1420142791
 Pt         4.1744351337        0.8027260250        6.8344194345
 Pt         2.7836832200        1.6047990574        4.5119808200
 Pt         5.5500233684        0.0002336234        2.1844645372
 Pt         5.5692843165        0.0017281937        9.1594601819
 Pt         6.9301223799        0.7958253441       -0.1396295595
 Pt         6.9491221302        0.8025344387        6.8348808048
 Pt         5.5542423423        1.6047805116        4.5065343035
 Pt         8.3250211057        0.0004030215        2.1892060247
 Pt         8.3468907244        0.0054492994        9.1591574050
 Pt         9.7049135349        0.7958782377       -0.1394551418
 Pt         9.7236291898        0.8038987728        6.8281031806
 Pt         8.3287098917        1.6038125295        4.5136653930
 Pt        11.1002954987        0.0006268840        2.1929440269
 Pt        11.1192670091        0.0080594603        9.1560260850
 Pt        12.4799590954        0.7944088653       -0.1461996245
 Pt        12.4979631155        0.8062788145        6.8266175692
 Pt        11.1055016457        1.6045713033        4.5115904321
 Pt        13.8745715587        0.0004471444        2.1862260854
 Pt        13.8937097117        0.0068319003        9.1506395476
 Pt        15.2547174861        0.7957011415       -0.1448333023
 Pt        15.2730820311        0.8059864614        6.8246969702
 Pt        13.8785726626        1.6075877532        4.5103457581
 Pt        -1.3847521878        2.4012818707        2.1860882390
 Pt        -1.3675235966        2.4080575348        9.1584868918
 Pt        -0.0043985967        3.2002006836       -0.1388068448
 Pt         0.0111174142        3.2078169751        6.8343030226
 Pt        -1.3819030487        4.0072741010        4.5163261286
 Pt         1.3886960628        2.4026790725        2.1957896258
 Pt         1.4071871407        2.4073223399        9.1618239988
 Pt         2.7691004292        3.1991092157       -0.1372339884
 Pt         2.7856405215        3.2035803437        6.8413263092
 Pt         1.3924726315        4.0077149078        4.5204971103
 Pt         4.1619756621        2.4009463618        2.1921170478
 Pt         4.1809141092        2.4022209887        9.1744289551
 Pt         5.5435249282        3.1990259196       -0.1305473032
 Pt         5.5605887359        3.1948240900        6.8328387545
 Pt         4.1666191438        4.0118113119        4.5211540090
 Pt         6.9390802276        2.4024916774        2.1933808695
 Pt         6.9571511940        2.3997811609        9.1704762485
 Pt         8.3165297676        3.2005541787       -0.1429766673
 Pt         8.3380898360        3.2030308272        6.8386378221
 Pt         6.9430418049        4.0073113035        4.5143703618
 Pt         9.7111988509        2.4017855652        2.1925855253
 Pt         9.7335348950        2.4075586904        9.1602995592
 Pt        11.0899471509        3.1988863009       -0.1352612960
 Pt        11.1129184056        3.2075029857        6.8279623506
 Pt         9.7195210565        4.0060293044        4.5122155875
 Pt        12.4872014741        2.4020997727        2.1845164494
 Pt        12.5057104692        2.4078590500        9.1590234258
 Pt        13.8679013341        3.1986791202       -0.1414194244
 Pt        13.8855736749        3.2077975639        6.8377140358
 Pt        12.4941563370        4.0065044061        4.5129729671
 Pt        -2.7739405981        4.8038987567        2.1891079106
 Pt        -2.7558468969        4.8094043665        9.1586510270
 Pt        -1.3911047535        5.6012723637       -0.1377497238
 Pt        -1.3754996248        5.6101437977        6.8357317901
 Pt        -2.7658190880        6.4105754716        4.5119692053
 Pt         0.0017284254        4.8050821216        2.1970052167
 Pt         0.0213365603        4.8103158231        9.1642009880
 Pt         1.3856782819        5.6032842775       -0.1311450863
 Pt         1.4004890747        5.6084405962        6.8514463412
 Pt         0.0076952864        6.4081587058        4.5242425459
 Pt         2.7755309137        4.8046718596        2.2087039878
 Pt         2.7939025233        4.8053117148        9.1814042406
 Pt         4.1565365671        5.6009008543       -0.1161839734
 Pt         4.1728373205        5.6036473124        6.8605728110
 Pt         2.7803846042        6.4108345408        4.5399305243
 Pt         5.5494986323        4.8040511878        2.2034809467
 Pt         5.5819127283        4.7963567990        9.1610860364
 Pt         6.9290868725        5.6008533892       -0.1255305091
 Pt         6.9516704729        5.6021170513        6.8339339395
 Pt         5.5518532599        6.4113912855        4.5293259867
 Pt         8.3272655182        4.8037367506        2.1983243041
 Pt         8.3503758381        4.8066075992        9.1712912127
 Pt         9.7017230394        5.6017416624       -0.1432155846
 Pt         9.7255807312        5.6081402217        6.8363536941
 Pt         8.3305668864        6.4083547182        4.5109729460
 Pt        11.0984807107        4.8056191099        2.1875422815
 Pt        11.1215717478        4.8097029566        9.1587135730
 Pt        12.4783338380        5.6029601690       -0.1346078716
 Pt        12.4994509943        5.6114861894        6.8265377654
 Pt        11.1058495338        6.4088010054        4.5096423727
 Pt        -4.1613452577        7.2078712512        2.1931179575
 Pt        -4.1380207539        7.2134910410        9.1589096948
 Pt        -2.7809981699        8.0053620268       -0.1346831844
 Pt        -2.7628068394        8.0133843460        6.8266737285
 Pt        -4.1554471925        8.8130286476        4.5055856941
 Pt        -1.3851881336        7.2061351657        2.1957816199
 Pt        -1.3694406445        7.2143826721        9.1578438668
 Pt        -0.0058756264        8.0055251459       -0.1307889821
 Pt         0.0144458582        8.0116666450        6.8409017520
 Pt        -1.3752583272        8.8127504792        4.5136584651
 Pt         1.3899453989        7.2081168423        2.1998704965
 Pt         1.4016964286        7.2120977463        9.1876089307
 Pt         2.7699637423        8.0047074990       -0.1199930523
 Pt         2.7897913745        8.0096248293        6.8786346326
 Pt         1.4028996765        8.8053510477        4.5323003873
 Pt         4.1619203568        7.2075878165        2.2121227301
 Pt         4.1961788257        7.2085304555        9.2242345927
 Pt         5.5416887072        8.0057289909       -0.1251094126
 Pt         5.5618323367        8.0144337861        6.8501287524
 Pt         4.1679259798        8.8103675516        4.5325761792
 Pt         6.9359190325        7.2076503412        2.1998879019
 Pt         6.9865690386        7.2122859796        9.1478193667
 Pt         8.3190085349        8.0041565791       -0.1292591938
 Pt         8.3482486015        8.0176208753        6.8223998616
 Pt         6.9362189848        8.8115481071        4.5132696605
 Pt         9.7135430180        7.2056015781        2.1958699550
 Pt         9.7435117414        7.2142768647        9.1694493924
 Pt        11.0912246287        8.0044460356       -0.1449980612
 Pt        11.1131387565        8.0128057906        6.8295707730
 Pt         9.7155845985        8.8132959867        4.5093598556
 Pt        -5.5506064569        9.6099753773        2.1822627336
 Pt        -5.5237798036        9.6196628274        9.1550174118
 Pt        -4.1674858290       10.4079150893       -0.1431304813
 Pt        -4.1481046607       10.4169253521        6.8259016475
 Pt        -5.5452618172       11.2135370746        4.5061472930
 Pt        -2.7726910149        9.6113341798        2.1859487674
 Pt        -2.7546728789        9.6171250021        9.1543945509
 Pt        -1.3940610942       10.4090204454       -0.1504816273
 Pt        -1.3736933272       10.4162486591        6.8307994828
 Pt        -2.7664910528       11.2136860654        4.5057828736
 Pt         0.0003796997        9.6098136547        2.1910755813
 Pt         0.0175328022        9.6174160272        9.1639941865
 Pt         1.3805938302       10.4070834972       -0.1302215397
 Pt         1.3995214325       10.4163179200        6.8403377728
 Pt         0.0107989430       11.2109035869        4.5112652194
 Pt         2.7760122993        9.6092293438        2.2078818701
 Pt         2.7922258179        9.6262612643        9.1810749104
 Pt         4.1552996327       10.4044626342       -0.1293798149
 Pt         4.1715977690       10.4198698096        6.8434880526
 Pt         2.7842442843       11.2147773025        4.5175128515
 Pt         5.5496516339        9.6103661730        2.1991720722
 Pt         5.5775266615        9.6285602358        9.1584607265
 Pt         6.9301044459       10.4071890808       -0.1307771281
 Pt         6.9535758249       10.4224255591        6.8323972236
 Pt         5.5545147338       11.2174060063        4.5137638201
 Pt         8.3273288308        9.6118719708        2.1876920353
 Pt         8.3526320476        9.6235243380        9.1632360561
 Pt         9.7056552209       10.4065154866       -0.1498132680
 Pt         9.7258324580       10.4184594860        6.8295232038
 Pt         8.3279830025       11.2149671579        4.5052418250
 Pt        -6.9351829879       12.0129994972        2.1783322469
 Pt        -6.9165428115       12.0245642302        9.1530137276
 Pt        -5.5555630371       12.8097596805       -0.1430893475
 Pt        -5.5355366815       12.8204227950        6.8247562716
 Pt        -6.9281197340       13.6182478826        4.5035501755
 Pt        -4.1617636524       12.0137325454        2.1912795463
 Pt        -4.1413654683       12.0219308537        9.1497987254
 Pt        -2.7785554226       12.8104750109       -0.1435883120
 Pt        -2.7612969097       12.8189801115        6.8296502387
 Pt        -4.1547071631       13.6188644118        4.5055417725
 Pt        -1.3855032369       12.0121346512        2.1915683278
 Pt        -1.3671686196       12.0201751713        9.1568945033
 Pt        -0.0074817191       12.8103808700       -0.1398088454
 Pt         0.0115455327       12.8198437138        6.8315081654
 Pt        -1.3811390310       13.6182622988        4.5103223285
 Pt         1.3892207574       12.0139100119        2.1902484924
 Pt         1.4056941244       12.0224874797        9.1612543588
 Pt         2.7690836871       12.8100007714       -0.1390137193
 Pt         2.7860254123       12.8207965309        6.8326828441
 Pt         1.3925520261       13.6163616476        4.5071192198
 Pt         4.1622541012       12.0138363826        2.1910563371
 Pt         4.1806819663       12.0253788703        9.1700603680
 Pt         5.5418194012       12.8088380596       -0.1395084465
 Pt         5.5609368545       12.8210598284        6.8312250843
 Pt         4.1685243265       13.6202096854        4.5108102248
 Pt         6.9376035911       12.0141936082        2.1862751665
 Pt         6.9568589152       12.0270267029        9.1656070476
 Pt         8.3187280477       12.8109364362       -0.1450610293
 Pt         8.3362551899       12.8226842946        6.8257382857
 Pt         6.9436621197       13.6196274617        4.5054142818
  O         5.1126859626        6.9187957463       11.9415404196
  H         6.0526412125        7.0692915114       11.7092096181
  H         5.0386750285        5.9715263908       12.0055052744
     183
 i =       22, E =    -21650.0089602156
 Pt         0.0012082703        0.0004914965        2.1806082584
 Pt         0.0239274107        0.0075152105        9.1456714522
 Pt         1.3783086817        0.7954844507       -0.1469204614
 Pt         1.4015550131        0.8047781557        6.8192330124
 Pt         0.0115119512        1.6048212427        4.5017401465
 Pt         2.7762816842        0.0002119942        2.1808978134
 Pt         2.7972469516        0.0070017837        9.1468958137
 Pt         4.1548610363        0.7958646433       -0.1394333762
 Pt         4.1769429647        0.8030874455        6.8290579622
 Pt         2.7852026502        1.6035128588        4.5085600337
 Pt         5.5501169209        0.0004555211        2.1895521440
 Pt         5.5735720145        0.0037484940        9.1526432574
 Pt         6.9294893657        0.7963181843       -0.1319200520
 Pt         6.9526836856        0.8028800053        6.8300281777
 Pt         5.5557261723        1.6018448700        4.5143663202
 Pt         8.3266357031       -0.0003244736        2.1867640511
 Pt         8.3500520077        0.0050456208        9.1533329376
 Pt         9.7041735508        0.7955075918       -0.1458019260
 Pt         9.7264365199        0.8048585690        6.8194798753
 Pt         8.3302200021        1.6019671583        4.5093694783
 Pt        11.1000247710        0.0006756443        2.1834717778
 Pt        11.1235328550        0.0073061435        9.1460561609
 Pt        12.4784208869        0.7943017272       -0.1475097492
 Pt        12.5010696916        0.8065192965        6.8151878490
 Pt        11.1058049469        1.6051121195        4.5013753175
 Pt        13.8745911784        0.0015256111        2.1840728921
 Pt        13.8975319800        0.0073030178        9.1438061690
 Pt        15.2521880579        0.7954268020       -0.1452644480
 Pt        15.2756742445        0.8060583013        6.8133450301
 Pt        13.8807336416        1.6069575982        4.4997636487
 Pt        -1.3844916018        2.4026949940        2.1860957495
 Pt        -1.3635775320        2.4085685667        9.1445605072
 Pt        -0.0075939427        3.1988981818       -0.1388763308
 Pt         0.0154181947        3.2074534736        6.8258470757
 Pt        -1.3774315780        4.0099059298        4.5058438271
 Pt         1.3899616486        2.4028145151        2.1902249244
 Pt         1.4110888908        2.4082259146        9.1573457929
 Pt         2.7663084964        3.1978916865       -0.1300439829
 Pt         2.7895544490        3.2048340657        6.8386883946
 Pt         1.3968400069        4.0084836104        4.5195283351
 Pt         4.1629184553        2.4021155593        2.1990339493
 Pt         4.1870344180        2.4065253068        9.1676108906
 Pt         5.5421675627        3.1992371792       -0.1173039727
 Pt         5.5643300859        3.2021715353        6.8379607076
 Pt         4.1691220726        4.0106117209        4.5303996221
 Pt         6.9387594986        2.4030555871        2.2007273173
 Pt         6.9634568272        2.4037202456        9.1643694856
 Pt         8.3166339483        3.1991935744       -0.1344168204
 Pt         8.3399922827        3.2054681405        6.8339919046
 Pt         6.9436911446        4.0053083457        4.5242929813
 Pt         9.7119482751        2.4018707910        2.1885351291
 Pt         9.7376399811        2.4079697848        9.1548254341
 Pt        11.0905268498        3.1971208177       -0.1418777746
 Pt        11.1138500978        3.2080603523        6.8211584893
 Pt         9.7183917817        4.0068306659        4.5115387287
 Pt        12.4872240180        2.4025571462        2.1832958154
 Pt        12.5102315497        2.4085930666        9.1443469227
 Pt        13.8658298585        3.1974958191       -0.1409746780
 Pt        13.8884317588        3.2079162285        6.8164616945
 Pt        12.4939582797        4.0090649040        4.5027099179
 Pt        -2.7724266928        4.8051741320        2.1868721665
 Pt        -2.7506271074        4.8102497256        9.1441683868
 Pt        -1.3937545131        5.6003003811       -0.1394064120
 Pt        -1.3713438480        5.6098976913        6.8245941757
 Pt        -2.7649758783        6.4131618485        4.5024174114
 Pt         0.0028943790        4.8049764560        2.1951490815
 Pt         0.0257558698        4.8103347444        9.1603563190
 Pt         1.3820399937        5.6009617831       -0.1243604245
 Pt         1.4042237744        5.6094653348        6.8488994405
 Pt         0.0098833079        6.4107083603        4.5189890333
 Pt         2.7763172287        4.8051183030        2.2132800729
 Pt         2.7999601342        4.8057566780        9.1796322324
 Pt         4.1538013921        5.5996345343       -0.1071119266
 Pt         4.1773607889        5.6088753103        6.8689842909
 Pt         2.7827947966        6.4121128887        4.5468908386
 Pt         5.5494461807        4.8051724657        2.2174946136
 Pt         5.5865035039        4.7990225124        9.1688328079
 Pt         6.9274180780        5.6007029490       -0.1136542034
 Pt         6.9534613761        5.6076143696        6.8420409393
 Pt         5.5540663855        6.4111984420        4.5444635395
 Pt         8.3255637059        4.8034685102        2.2038944480
 Pt         8.3542981559        4.8091530644        9.1670355364
 Pt         9.7023188906        5.5992249114       -0.1323475167
 Pt         9.7278647734        5.6096522615        6.8325966568
 Pt         8.3311027598        6.4094282275        4.5216001997
 Pt        11.0996375788        4.8042825528        2.1897978971
 Pt        11.1253027627        4.8108534057        9.1545126810
 Pt        12.4777301794        5.6000478551       -0.1401769163
 Pt        12.5012205457        5.6110949295        6.8187945254
 Pt        11.1069248976        6.4119790971        4.5080926944
 Pt        -4.1604610048        7.2068281767        2.1861236008
 Pt        -4.1354215032        7.2135486971        9.1505074055
 Pt        -2.7823269144        8.0030744523       -0.1427682148
 Pt        -2.7596284934        8.0127340556        6.8180942985
 Pt        -4.1525236466        8.8143241183        4.5008906297
 Pt        -1.3843470409        7.2068811199        2.1897412644
 Pt        -1.3629409873        7.2131645828        9.1495721498
 Pt        -0.0065063337        8.0029387482       -0.1287564267
 Pt         0.0177636383        8.0123033823        6.8362533541
 Pt        -1.3753543566        8.8139285815        4.5043356009
 Pt         1.3902470160        7.2068846506        2.2106420158
 Pt         1.4109922679        7.2117966361        9.1831893890
 Pt         2.7684157997        8.0025098512       -0.1078221308
 Pt         2.7979238012        8.0087912446        6.8832459420
 Pt         1.4015568532        8.8089176841        4.5336915584
 Pt         4.1622826595        7.2073514857        2.2271140206
 Pt         4.2019947260        7.2072215396        9.2399638262
 Pt         5.5409597537        8.0031678303       -0.1084379701
 Pt         5.5652790820        8.0133945627        6.8641844992
 Pt         4.1676295634        8.8120074979        4.5451849592
 Pt         6.9357122364        7.2068789317        2.2152277340
 Pt         6.9849724098        7.2129192973        9.1606128878
 Pt         8.3153311405        8.0021092102       -0.1177621000
 Pt         8.3444639422        8.0160687195        6.8288840630
 Pt         6.9388042981        8.8118610889        4.5252579158
 Pt         9.7120321248        7.2053269640        2.1996633028
 Pt         9.7428427767        7.2156923384        9.1612529735
 Pt        11.0899226051        8.0023461475       -0.1373785159
 Pt        11.1156153079        8.0136118939        6.8249154272
 Pt         9.7195814020        8.8152648222        4.5102916635
 Pt        -5.5510246107        9.6097404983        2.1854373887
 Pt        -5.5219687633        9.6189412227        9.1470315319
 Pt        -4.1702106287       10.4050180151       -0.1398866330
 Pt        -4.1460356322       10.4172702821        6.8152094023
 Pt        -5.5411378718       11.2157542463        4.4989163412
 Pt        -2.7720858661        9.6102182718        2.1812115581
 Pt        -2.7492916439        9.6159974931        9.1410367316
 Pt        -1.3940373682       10.4067340091       -0.1445498714
 Pt        -1.3699534679       10.4157172490        6.8210751357
 Pt        -2.7649845141       11.2147904760        4.4982256021
 Pt         0.0025075342        9.6093921147        2.1934457450
 Pt         0.0257318918        9.6160744312        9.1583976614
 Pt         1.3814232079       10.4056582326       -0.1228428014
 Pt         1.4046081505       10.4158595950        6.8379744818
 Pt         0.0101456791       11.2123301580        4.5071135055
 Pt         2.7775415593        9.6093216415        2.2146410718
 Pt         2.8016047834        9.6224129102        9.1808031684
 Pt         4.1547896660       10.4035404949       -0.1211314924
 Pt         4.1774683053       10.4177246650        6.8461723611
 Pt         2.7832612045       11.2159355168        4.5192298986
 Pt         5.5493837605        9.6105144620        2.2111832121
 Pt         5.5814484013        9.6234586823        9.1692755513
 Pt         6.9275929999       10.4066776809       -0.1260837292
 Pt         6.9536675535       10.4201636749        6.8319599470
 Pt         5.5554579527       11.2166370119        4.5171342093
 Pt         8.3236574587        9.6110295186        2.1968493426
 Pt         8.3528269388        9.6199473784        9.1582755159
 Pt         9.7024192475       10.4053157016       -0.1414006869
 Pt         9.7274964932       10.4188137746        6.8233205194
 Pt         8.3313239509       11.2154654733        4.5053186216
 Pt        -6.9372262716       12.0131993990        2.1797392896
 Pt        -6.9126273790       12.0234588460        9.1435817301
 Pt        -5.5581247406       12.8097130712       -0.1436704623
 Pt        -5.5343450349       12.8204612760        6.8149825992
 Pt        -6.9269312527       13.6181762017        4.4955503701
 Pt        -4.1621042129       12.0134117700        2.1834542780
 Pt        -4.1374646175       12.0207175813        9.1390570062
 Pt        -2.7806542292       12.8109516050       -0.1362479726
 Pt        -2.7588544003       12.8189488375        6.8196521151
 Pt        -4.1530431726       13.6171871260        4.5012266660
 Pt        -1.3844450695       12.0121020615        2.1858431713
 Pt        -1.3624598359       12.0192283106        9.1446807326
 Pt        -0.0073527133       12.8097974518       -0.1390354868
 Pt         0.0165646860       12.8199979871        6.8227165937
 Pt        -1.3787472588       13.6162174138        4.5063028469
 Pt         1.3906156493       12.0136851549        2.1911635997
 Pt         1.4115305663       12.0216775428        9.1539653903
 Pt         2.7682105074       12.8088019591       -0.1398427723
 Pt         2.7902735077       12.8209588624        6.8250191376
 Pt         1.3942901218       13.6169367284        4.5012649549
 Pt         4.1632669224       12.0145892823        2.1945312375
 Pt         4.1872446280       12.0226855164        9.1607211296
 Pt         5.5404039773       12.8088533762       -0.1388679605
 Pt         5.5639126501       12.8221191350        6.8238861664
 Pt         4.1691570908       13.6199272385        4.5027819701
 Pt         6.9367263033       12.0146467383        2.1892791762
 Pt         6.9620838268       12.0244243563        9.1537383865
 Pt         8.3154517254       12.8102777955       -0.1460733306
 Pt         8.3385796183       12.8228406225        6.8165633883
 Pt         6.9458131039       13.6192519880        4.4988048184
  O         5.0320329419        6.8905341825       11.9482439648
  H         5.9568383502        7.0817646197       11.7103586559
  H         5.0130487620        5.9252618437       12.0765310196
     183
 i =       23, E =    -21650.0090616050
 Pt         0.0011474599        0.0006096320        2.1806535709
 Pt         0.0241436126        0.0069582594        9.1456549049
 Pt         1.3784684647        0.7952099752       -0.1448665262
 Pt         1.4012612882        0.8047925020        6.8192918902
 Pt         0.0113199442        1.6045028754        4.5001663206
 Pt         2.7758549568        0.0001050664        2.1829984059
 Pt         2.7978991717        0.0068192987        9.1464070582
 Pt         4.1543578729        0.7957451114       -0.1386140783
 Pt         4.1769377998        0.8035102671        6.8272151221
 Pt         2.7847132581        1.6036289540        4.5088976514
 Pt         5.5502793133       -0.0001451172        2.1910286543
 Pt         5.5738531023        0.0043587747        9.1515266188
 Pt         6.9295182205        0.7960240662       -0.1311945827
 Pt         6.9529743549        0.8032192270        6.8284465655
 Pt         5.5556595509        1.6012270595        4.5154802021
 Pt         8.3268545362       -0.0006818163        2.1884990059
 Pt         8.3496617037        0.0047239733        9.1533098024
 Pt         9.7038361329        0.7953686524       -0.1434947255
 Pt         9.7265566903        0.8050614185        6.8195541155
 Pt         8.3306393023        1.6017784694        4.5097323575
 Pt        11.1000420207        0.0004914621        2.1839216935
 Pt        11.1235125220        0.0066332494        9.1454369550
 Pt        12.4780549717        0.7945637816       -0.1462709901
 Pt        12.5015169839        0.8063731477        6.8145364826
 Pt        11.1061874129        1.6049403936        4.5009444383
 Pt        13.8746181117        0.0011958802        2.1843161041
 Pt        13.8975904213        0.0072044938        9.1438527517
 Pt        15.2518833639        0.7954274304       -0.1447199397
 Pt        15.2758548427        0.8057984615        6.8128143050
 Pt        13.8811479900        1.6062401547        4.4979463951
 Pt        -1.3849825251        2.4027585683        2.1863299415
 Pt        -1.3634984188        2.4086624670        9.1441957865
 Pt        -0.0077905574        3.1990215222       -0.1376634476
 Pt         0.0154847453        3.2072604662        6.8249326297
 Pt        -1.3772678708        4.0094129415        4.5040459239
 Pt         1.3897087446        2.4027617668        2.1909700316
 Pt         1.4115252302        2.4082113854        9.1562393401
 Pt         2.7658922311        3.1978644980       -0.1260982529
 Pt         2.7901858598        3.2056697194        6.8370288212
 Pt         1.3969135004        4.0084751363        4.5199272966
 Pt         4.1628716268        2.4021468593        2.1998894500
 Pt         4.1880248866        2.4074195014        9.1646067640
 Pt         5.5420168360        3.1991775558       -0.1156317235
 Pt         5.5646767660        3.2045751575        6.8374143140
 Pt         4.1692625003        4.0103292072        4.5306461452
 Pt         6.9386007753        2.4024346770        2.2013367218
 Pt         6.9641287029        2.4044705463        9.1622932297
 Pt         8.3165893535        3.1990154050       -0.1305650307
 Pt         8.3400144065        3.2063251750        6.8325243704
 Pt         6.9438202129        4.0048049994        4.5248644570
 Pt         9.7123061921        2.4017210785        2.1899169785
 Pt         9.7377705933        2.4076156205        9.1540371110
 Pt        11.0907387764        3.1971976047       -0.1416479900
 Pt        11.1138104899        3.2078808341        6.8212429593
 Pt         9.7183792037        4.0070081588        4.5121898936
 Pt        12.4874850671        2.4025981758        2.1833159658
 Pt        12.5106288120        2.4086134597        9.1441241302
 Pt        13.8655082018        3.1977100219       -0.1421976124
 Pt        13.8885705090        3.2075111565        6.8144998334
 Pt        12.4940397148        4.0086455969        4.5022328713
 Pt        -2.7724727581        4.8048438783        2.1869446463
 Pt        -2.7501191440        4.8106091441        9.1442492829
 Pt        -1.3941538270        5.6004790060       -0.1375612527
 Pt        -1.3710313464        5.6094922777        6.8239422296
 Pt        -2.7648880689        6.4127340636        4.5021913434
 Pt         0.0026907542        4.8045937965        2.1955149762
 Pt         0.0260622446        4.8105572196        9.1598728892
 Pt         1.3815033366        5.6011222131       -0.1218029740
 Pt         1.4048556531        5.6097895771        6.8479443713
 Pt         0.0097828112        6.4104776780        4.5185503675
 Pt         2.7761059000        4.8050373481        2.2141608848
 Pt         2.8012115453        4.8058670066        9.1778496143
 Pt         4.1535776640        5.5998697613       -0.1051004846
 Pt         4.1783971402        5.6103179129        6.8695833125
 Pt         2.7832910750        6.4120512800        4.5471869449
 Pt         5.5497777944        4.8049718489        2.2195581798
 Pt         5.5870024308        4.7990745136        9.1693023557
 Pt         6.9271713214        5.6011502637       -0.1113871750
 Pt         6.9533700712        5.6093017766        6.8425362180
 Pt         5.5544450635        6.4107991453        4.5463637446
 Pt         8.3251724477        4.8036550449        2.2049896349
 Pt         8.3546433000        4.8094368259        9.1652266230
 Pt         9.7025386969        5.5993262452       -0.1294714830
 Pt         9.7280125162        5.6101538050        6.8309207048
 Pt         8.3314834136        6.4099197265        4.5228514054
 Pt        11.1000745240        4.8039972274        2.1915488420
 Pt        11.1256753829        4.8107881787        9.1538676334
 Pt        12.4778220994        5.5998885862       -0.1398856754
 Pt        12.5012654629        5.6107179926        6.8189555243
 Pt        11.1070555033        6.4123776553        4.5083664460
 Pt        -4.1601914804        7.2064621920        2.1868372953
 Pt        -4.1356854766        7.2137768554        9.1496097661
 Pt        -2.7826383537        8.0028573272       -0.1409603716
 Pt        -2.7592665976        8.0126606415        6.8184262359
 Pt        -4.1517479157        8.8141236217        4.5018791674
 Pt        -1.3847273091        7.2065187115        2.1899880926
 Pt        -1.3620233492        7.2134707559        9.1490242791
 Pt        -0.0067357526        8.0027115821       -0.1264735038
 Pt         0.0185170455        8.0120265438        6.8354023700
 Pt        -1.3755032391        8.8135438031        4.5045764191
 Pt         1.3897727115        7.2064883447        2.2140371018
 Pt         1.4130968964        7.2117413272        9.1806873976
 Pt         2.7677671485        8.0027565477       -0.1056724918
 Pt         2.8002160366        8.0080521447        6.8831379080
 Pt         1.4013590903        8.8095802390        4.5334371664
 Pt         4.1623156221        7.2073385340        2.2287241820
 Pt         4.2036115639        7.2069418536        9.2427513348
 Pt         5.5413177762        8.0031464335       -0.1054091065
 Pt         5.5662077661        8.0126414985        6.8660502068
 Pt         4.1672488980        8.8119043188        4.5467142546
 Pt         6.9362801665        7.2066870280        2.2177241531
 Pt         6.9841000870        7.2123279529        9.1624703247
 Pt         8.3149126067        8.0019782155       -0.1165705839
 Pt         8.3424131697        8.0154726465        6.8293988672
 Pt         6.9399552326        8.8117935042        4.5255220639
 Pt         9.7120448838        7.2057279549        2.1991003403
 Pt         9.7420046991        7.2158047562        9.1581747035
 Pt        11.0901148017        8.0023054285       -0.1341100577
 Pt        11.1153437447        8.0135764841        6.8239666277
 Pt         9.7203888836        8.8157239309        4.5098199892
 Pt        -5.5501602063        9.6098108935        2.1874712554
 Pt        -5.5226698751        9.6186140541        9.1456621122
 Pt        -4.1706276871       10.4047106102       -0.1378880067
 Pt        -4.1460778028       10.4170824303        6.8145151561
 Pt        -5.5402610079       11.2160596462        4.4988198952
 Pt        -2.7720173095        9.6098078242        2.1824676156
 Pt        -2.7488561584        9.6162327556        9.1406118961
 Pt        -1.3943701104       10.4065724877       -0.1425653956
 Pt        -1.3695337080       10.4152596824        6.8204952125
 Pt        -2.7646094405       11.2147248320        4.4987724495
 Pt         0.0024736364        9.6094834302        2.1954358478
 Pt         0.0270665230        9.6158337809        9.1569896445
 Pt         1.3809761955       10.4060680877       -0.1214228036
 Pt         1.4057070246       10.4151483680        6.8368230669
 Pt         0.0099221519       11.2124602777        4.5073051907
 Pt         2.7771367376        9.6097687506        2.2156409985
 Pt         2.8031968611        9.6206687096        9.1798605772
 Pt         4.1545289941       10.4040768273       -0.1187661093
 Pt         4.1788950398       10.4162260964        6.8460987724
 Pt         2.7830040293       11.2158073815        4.5200243085
 Pt         5.5493396055        9.6103399735        2.2139614192
 Pt         5.5816732144        9.6215050694        9.1707826146
 Pt         6.9275375100       10.4070840515       -0.1248345090
 Pt         6.9532611757       10.4187630057        6.8312286624
 Pt         5.5556237545       11.2160166832        4.5178545921
 Pt         8.3236078689        9.6106443595        2.1979077968
 Pt         8.3519918589        9.6183955467        9.1567134070
 Pt         9.7026548185       10.4057140024       -0.1394688285
 Pt         9.7272511505       10.4185499922        6.8219561167
 Pt         8.3320765200       11.2152218118        4.5060287852
 Pt        -6.9371998043       12.0136560533        2.1826997881
 Pt        -6.9125880045       12.0226375542        9.1427646098
 Pt        -5.5583162459       12.8099935846       -0.1415164096
 Pt        -5.5344647693       12.8202576550        6.8145231507
 Pt        -6.9271623050       13.6183761458        4.4972493165
 Pt        -4.1614370030       12.0134777769        2.1832959288
 Pt        -4.1373956818       12.0204288982        9.1388854179
 Pt        -2.7810736052       12.8110371089       -0.1353781334
 Pt        -2.7588233809       12.8189913577        6.8180095020
 Pt        -4.1528797793       13.6170942197        4.5012365882
 Pt        -1.3846252626       12.0123474594        2.1853130560
 Pt        -1.3622187314       12.0192290352        9.1438352981
 Pt        -0.0074320398       12.8100215758       -0.1373242077
 Pt         0.0170202955       12.8199412788        6.8218840746
 Pt        -1.3785629799       13.6159151510        4.5060919426
 Pt         1.3905604238       12.0139830923        2.1930092345
 Pt         1.4120838370       12.0210671051        9.1526030942
 Pt         2.7677218951       12.8089276295       -0.1374843136
 Pt         2.7910575532       12.8205252905        6.8244323891
 Pt         1.3947428701       13.6171355086        4.5027571219
 Pt         4.1633051115       12.0148047318        2.1962334717
 Pt         4.1881901115       12.0214315003        9.1582031192
 Pt         5.5401218688       12.8091187622       -0.1377229756
 Pt         5.5642901996       12.8215714657        6.8228736228
 Pt         4.1695433046       13.6194738405        4.5025794633
 Pt         6.9366724623       12.0148232678        2.1910669643
 Pt         6.9626815025       12.0232546711        9.1515236055
 Pt         8.3152148055       12.8105928972       -0.1434685561
 Pt         8.3385334742       12.8223069174        6.8166914638
 Pt         6.9459014225       13.6189535563        4.4993072488
  O         5.0230697286        6.8870889745       11.9448150171
  H         5.9494951807        7.0866709419       11.6968321730
  H         5.0079974204        5.9228155103       12.0642813672
     183
 i =       24, E =    -21650.0091740021
 Pt         0.0006547448        0.0002733091        2.1829264347
 Pt         0.0244373174        0.0065439358        9.1468608507
 Pt         1.3785485259        0.7949365088       -0.1407670890
 Pt         1.4012063856        0.8049050784        6.8204699272
 Pt         0.0106012324        1.6044065596        4.5005930107
 Pt         2.7759430079        0.0000411548        2.1857310126
 Pt         2.7987204814        0.0065156797        9.1463582070
 Pt         4.1541853078        0.7951860480       -0.1385899636
 Pt         4.1770157258        0.8041588200        6.8259667270
 Pt         2.7842426801        1.6041869296        4.5093930261
 Pt         5.5502733213       -0.0003638766        2.1906329884
 Pt         5.5742340490        0.0045493262        9.1501883217
 Pt         6.9290668301        0.7953785183       -0.1321310707
 Pt         6.9530729467        0.8039758895        6.8274118897
 Pt         5.5556236175        1.6016718685        4.5142614874
 Pt         8.3265725498       -0.0008531996        2.1903702088
 Pt         8.3496198867        0.0043082779        9.1534799151
 Pt         9.7032029585        0.7953687721       -0.1394926621
 Pt         9.7267863628        0.8051818786        6.8206805078
 Pt         8.3310514313        1.6020729708        4.5103831065
 Pt        11.1003654489        0.0003012435        2.1864265476
 Pt        11.1238118248        0.0059792108        9.1458183336
 Pt        12.4776258129        0.7949048250       -0.1460351340
 Pt        12.5020669205        0.8061650741        6.8152233159
 Pt        11.1070606274        1.6048115390        4.5022349721
 Pt        13.8747547286        0.0005371368        2.1838876009
 Pt        13.8978388859        0.0070168653        9.1442727136
 Pt        15.2515457481        0.7954987755       -0.1454079507
 Pt        15.2760236126        0.8055512687        6.8134292192
 Pt        13.8813062170        1.6054451411        4.4971594316
 Pt        -1.3857257223        2.4022918340        2.1845908558
 Pt        -1.3632236698        2.4088402729        9.1455001069
 Pt        -0.0078844103        3.1991877025       -0.1373617443
 Pt         0.0152511154        3.2071960800        6.8247402963
 Pt        -1.3776836602        4.0083911778        4.5035826021
 Pt         1.3891220477        2.4027721597        2.1927296186
 Pt         1.4121039843        2.4080699559        9.1547729899
 Pt         2.7658181461        3.1979200962       -0.1236536976
 Pt         2.7904038284        3.2065261932        6.8355574537
 Pt         1.3963127792        4.0086899759        4.5199640532
 Pt         4.1630542786        2.4017204699        2.1993094295
 Pt         4.1888676943        2.4072069012        9.1617879500
 Pt         5.5417405619        3.1988700474       -0.1164654409
 Pt         5.5650929646        3.2057990436        6.8354298594
 Pt         4.1693151480        4.0106660524        4.5292853322
 Pt         6.9383830744        2.4016999830        2.2006910750
 Pt         6.9647644910        2.4042095011        9.1605478719
 Pt         8.3160171984        3.1989150323       -0.1287176294
 Pt         8.3403415360        3.2071011979        6.8316884762
 Pt         6.9442042464        4.0050820811        4.5234862198
 Pt         9.7126625409        2.4017870278        2.1921623513
 Pt         9.7381624129        2.4070993274        9.1536634117
 Pt        11.0904808120        3.1975673727       -0.1406655898
 Pt        11.1143820978        3.2076439043        6.8217554777
 Pt         9.7191196015        4.0071156141        4.5126363017
 Pt        12.4877635469        2.4023654559        2.1823472163
 Pt        12.5111572773        2.4085233592        9.1456936425
 Pt        13.8651627710        3.1979834765       -0.1452578914
 Pt        13.8888016130        3.2071289902        6.8152998743
 Pt        12.4944331032        4.0077755418        4.5027381331
 Pt        -2.7730324539        4.8039036187        2.1865280045
 Pt        -2.7494748351        4.8110852129        9.1462811863
 Pt        -1.3943997306        5.6006065501       -0.1364789881
 Pt        -1.3709065898        5.6089917506        6.8246511214
 Pt        -2.7647301657        6.4114859113        4.5034945547
 Pt         0.0022360270        4.8042184982        2.1959098002
 Pt         0.0265351573        4.8108300467        9.1593448490
 Pt         1.3815781924        5.6020063589       -0.1196872509
 Pt         1.4053173200        5.6096842521        6.8475349821
 Pt         0.0096042528        6.4096086727        4.5191933656
 Pt         2.7761457093        4.8052122029        2.2149958384
 Pt         2.8022714237        4.8053493822        9.1766490429
 Pt         4.1537049236        5.6004716633       -0.1041828232
 Pt         4.1793831260        5.6108482396        6.8706962657
 Pt         2.7837401594        6.4119053348        4.5475870397
 Pt         5.5500192103        4.8046857999        2.2193361074
 Pt         5.5883101490        4.7980349268        9.1701996912
 Pt         6.9265435738        5.6016356703       -0.1108444470
 Pt         6.9538861014        5.6100101099        6.8429358475
 Pt         5.5547779317        6.4107162862        4.5471347949
 Pt         8.3253915235        4.8037765822        2.2054861363
 Pt         8.3555534031        4.8088897228        9.1643365292
 Pt         9.7022504906        5.5996027208       -0.1290960298
 Pt         9.7284370175        5.6102274354        6.8299467178
 Pt         8.3321676639        6.4102077955        4.5221360239
 Pt        11.1001390402        4.8039737088        2.1921796524
 Pt        11.1263366231        4.8106154947        9.1532501000
 Pt        12.4775512606        5.5998779409       -0.1391512270
 Pt        12.5016630148        5.6103863590        6.8195984309
 Pt        11.1075268352        6.4121698813        4.5082408213
 Pt        -4.1601545731        7.2060351501        2.1885586526
 Pt        -4.1354769377        7.2141902164        9.1494641382
 Pt        -2.7830404739        8.0030108315       -0.1376998439
 Pt        -2.7588520492        8.0123754129        6.8196799049
 Pt        -4.1510694283        8.8135180845        4.5035616222
 Pt        -1.3850043708        7.2059356067        2.1920031448
 Pt        -1.3612406902        7.2141716655        9.1491707272
 Pt        -0.0071018392        8.0031000943       -0.1243366571
 Pt         0.0197223127        8.0114493964        6.8349923968
 Pt        -1.3749390351        8.8126402409        4.5062351008
 Pt         1.3896486326        7.2065227774        2.2155170790
 Pt         1.4145361211        7.2115442685        9.1796232391
 Pt         2.7671650489        8.0034321039       -0.1049869429
 Pt         2.8020811567        8.0071781716        6.8842608082
 Pt         1.4020974150        8.8091143857        4.5334779827
 Pt         4.1623497348        7.2074078349        2.2295540713
 Pt         4.2057684587        7.2058375645        9.2486247606
 Pt         5.5413322998        8.0036837971       -0.1042226083
 Pt         5.5669930484        8.0120009605        6.8680977322
 Pt         4.1677150337        8.8110732694        4.5472325093
 Pt         6.9367499845        7.2067030265        2.2177851484
 Pt         6.9849750594        7.2111845303        9.1657246056
 Pt         8.3145558139        8.0023471289       -0.1176533944
 Pt         8.3421518017        8.0153438992        6.8286646767
 Pt         6.9404401793        8.8113890705        4.5247149261
 Pt         9.7123593492        7.2060180778        2.1981171006
 Pt         9.7421615201        7.2155268029        9.1561494367
 Pt        11.0901581950        8.0027492042       -0.1329396126
 Pt        11.1149282038        8.0135070966        6.8229325223
 Pt         9.7208685917        8.8157026307        4.5083133577
 Pt        -5.5494347894        9.6101198922        2.1881639825
 Pt        -5.5228950976        9.6185741751        9.1445971621
 Pt        -4.1708799871       10.4048327123       -0.1367237261
 Pt        -4.1460302166       10.4169365528        6.8152445614
 Pt        -5.5395064540       11.2160576598        4.4997006298
 Pt        -2.7716889042        9.6097262102        2.1848874367
 Pt        -2.7485543462        9.6170349216        9.1415712576
 Pt        -1.3951654539       10.4066530171       -0.1420014155
 Pt        -1.3689220089       10.4148949597        6.8210265128
 Pt        -2.7639531772       11.2143856745        4.4997610179
 Pt         0.0022223403        9.6096109874        2.1963738593
 Pt         0.0280112762        9.6159560277        9.1557342776
 Pt         1.3798738595       10.4065521169       -0.1212184427
 Pt         1.4071468838       10.4141389484        6.8361609412
 Pt         0.0101901505       11.2122793774        4.5079970451
 Pt         2.7766770433        9.6098905429        2.2159559401
 Pt         2.8043495233        9.6195988756        9.1799009355
 Pt         4.1540571570       10.4042852036       -0.1173277759
 Pt         4.1801494355       10.4148574838        6.8461551218
 Pt         2.7835390022       11.2153022252        4.5204424521
 Pt         5.5494122944        9.6100783710        2.2150953444
 Pt         5.5825231882        9.6203351531        9.1725587472
 Pt         6.9276286626       10.4074192794       -0.1243589131
 Pt         6.9533314193       10.4177069694        6.8310354064
 Pt         5.5559450096       11.2152073844        4.5181502742
 Pt         8.3243234209        9.6107292604        2.1968000258
 Pt         8.3520979595        9.6174447359        9.1562872080
 Pt         9.7030246914       10.4062844235       -0.1395755303
 Pt         9.7268037001       10.4178899396        6.8212221247
 Pt         8.3325321819       11.2148424838        4.5062467977
 Pt        -6.9366555079       12.0135737214        2.1851408127
 Pt        -6.9123832037       12.0218528290        9.1429709057
 Pt        -5.5584926361       12.8101858903       -0.1390467498
 Pt        -5.5343727715       12.8200949261        6.8153796766
 Pt        -6.9274848047       13.6186622850        4.5003967565
 Pt        -4.1606959876       12.0136333140        2.1843131876
 Pt        -4.1371994657       12.0205210789        9.1394701605
 Pt        -2.7815193870       12.8110250924       -0.1365233019
 Pt        -2.7587166173       12.8191430650        6.8177622532
 Pt        -4.1527117839       13.6173463985        4.5016443405
 Pt        -1.3847775980       12.0123404399        2.1856794952
 Pt        -1.3619292581       12.0195578848        9.1440508135
 Pt        -0.0080064535       12.8102012851       -0.1360376067
 Pt         0.0172818346       12.8198301442        6.8221982531
 Pt        -1.3783243944       13.6160741417        4.5061107949
 Pt         1.3902285473       12.0140293952        2.1949288575
 Pt         1.4125410906       12.0202630655        9.1514587296
 Pt         2.7669724111       12.8089569269       -0.1346828093
 Pt         2.7918968507       12.8199305520        6.8247694330
 Pt         1.3954424580       13.6172803863        4.5052713551
 Pt         4.1634148816       12.0144026645        2.1971312079
 Pt         4.1888755417       12.0204342596        9.1568611099
 Pt         5.5398087291       12.8090854734       -0.1368571091
 Pt         5.5648257569       12.8209785980        6.8226099577
 Pt         4.1701832714       13.6189482072        4.5031519293
 Pt         6.9366973007       12.0141508035        2.1922254464
 Pt         6.9630573519       12.0223790906        9.1508111175
 Pt         8.3153005230       12.8106406340       -0.1404758719
 Pt         8.3385301266       12.8216514160        6.8179877797
 Pt         6.9459603322       13.6183533921        4.5001251171
  O         5.0110521966        6.8868332831       11.9407446286
  H         5.9363659267        7.0879497105       11.6854486064
  H         5.0068649628        5.9203761596       12.0525672653
     183
 i =       25, E =    -21650.0067838978
 Pt        -0.0046867666       -0.0033283997        2.1987026527
 Pt         0.0313095261        0.0025380324        9.1548840789
 Pt         1.3768869984        0.7916888882       -0.1053015179
 Pt         1.4028840071        0.8063254844        6.8278099748
 Pt         0.0057211919        1.6034654359        4.4970671856
 Pt         2.7769217091       -0.0002634930        2.2093431334
 Pt         2.8111014154        0.0030494261        9.1413581921
 Pt         4.1503880266        0.7891297914       -0.1393981592
 Pt         4.1807326052        0.8107740476        6.8113127408
 Pt         2.7817623133        1.6101222250        4.5119850498
 Pt         5.5505481145       -0.0022336400        2.1839428637
 Pt         5.5832612336        0.0056945816        9.1326271364
 Pt         6.9226094830        0.7886888231       -0.1412018416
 Pt         6.9577802847        0.8117531427        6.8154173151
 Pt         5.5571408991        1.6064338002        4.5025388786
 Pt         8.3246922451       -0.0023299381        2.2060983944
 Pt         8.3551266186       -0.0007106422        9.1519711266
 Pt         9.6950626584        0.7949873058       -0.1040748363
 Pt         9.7332144308        0.8068501906        6.8280370467
 Pt         8.3368807260        1.6052735635        4.5152233669
 Pt        11.1045930183       -0.0015609261        2.2055577178
 Pt        11.1328886476       -0.0008101592        9.1452310707
 Pt        12.4710426588        0.7973198223       -0.1511319671
 Pt        12.5114762864        0.8045346124        6.8153451933
 Pt        11.1178846848        1.6038068978        4.5084954751
 Pt        13.8763947487       -0.0062474047        2.1731518755
 Pt        13.9053991148        0.0054180571        9.1436075099
 Pt        15.2460230782        0.7954590032       -0.1601645219
 Pt        15.2808149075        0.8035426887        6.8124684148
 Pt        13.8850251787        1.5974450537        4.4793430546
 Pt        -1.3928866327        2.3972938886        2.1580299360
 Pt        -1.3560581886        2.4104531972        9.1516866317
 Pt        -0.0106904279        3.2000733984       -0.1405523888
 Pt         0.0155002004        3.2061853918        6.8176354929
 Pt        -1.3798141960        3.9984131394        4.4900895779
 Pt         1.3833277276        2.4035788170        2.2059743382
 Pt         1.4219157783        2.4059579120        9.1376489124
 Pt         2.7632001184        3.1981030708       -0.0987457716
 Pt         2.7955639568        3.2151116457        6.8215304834
 Pt         1.3924644834        4.0113900315        4.5189603090
 Pt         4.1650981823        2.3985168068        2.1946790411
 Pt         4.2024830201        2.4040724914        9.1340693301
 Pt         5.5371011439        3.1958247970       -0.1212435160
 Pt         5.5729183202        3.2192676800        6.8203601649
 Pt         4.1720424557        4.0154110181        4.5224298053
 Pt         6.9368947992        2.3958342761        2.1960187990
 Pt         6.9771791596        2.4002559293        9.1441172329
 Pt         8.3080643927        3.1976907965       -0.1098039360
 Pt         8.3475515875        3.2153105845        6.8249604023
 Pt         6.9499413999        4.0083642701        4.5177551592
 Pt         9.7167073572        2.4029853550        2.2106217130
 Pt         9.7482262305        2.4011817372        9.1486625746
 Pt        11.0854022083        3.2003223455       -0.1384269203
 Pt        11.1241955840        3.2052536485        6.8224078367
 Pt         9.7282559176        4.0084984042        4.5165953766
 Pt        12.4908457278        2.3995953831        2.1652717806
 Pt        12.5220449716        2.4075391060        9.1547807144
 Pt        13.8595873013        3.1996999261       -0.1869008859
 Pt        13.8945366306        3.2030370466        6.8140857713
 Pt        12.5004328493        3.9993818313        4.4992047108
 Pt        -2.7781431973        4.7940061721        2.1750525974
 Pt        -2.7378535673        4.8154910973        9.1601385612
 Pt        -1.3987409854        5.6011268286       -0.1316228174
 Pt        -1.3666855504        5.6031243192        6.8263989163
 Pt        -2.7610103497        6.3993246608        4.5097205315
 Pt        -0.0020853389        4.8001977709        2.1957696026
 Pt         0.0358988828        4.8126944728        9.1523290965
 Pt         1.3809308412        5.6101479389       -0.0974529968
 Pt         1.4132611463        5.6080210268        6.8463083496
 Pt         0.0104225102        6.4011498030        4.5235902998
 Pt         2.7772880491        4.8074805056        2.2272626540
 Pt         2.8178676872        4.7978629346        9.1705894535
 Pt         4.1531184362        5.6061176358       -0.0871899727
 Pt         4.1930727156        5.6164514459        6.8957061422
 Pt         2.7906028270        6.4108628935        4.5614023754
 Pt         5.5527570641        4.8026109492        2.2262539110
 Pt         5.6093009870        4.7852168596        9.1899328968
 Pt         6.9177756334        5.6061447807       -0.0969256588
 Pt         6.9630446636        5.6180314930        6.8579367160
 Pt         5.5603118380        6.4102247594        4.5707490389
 Pt         8.3277317522        4.8050256062        2.2147408708
 Pt         8.3709102822        4.8025329126        9.1610566723
 Pt         9.6966309857        5.6013463443       -0.1243614467
 Pt         9.7365599851        5.6108210514        6.8222092690
 Pt         8.3403216817        6.4128133280        4.5233476857
 Pt        11.1009831020        4.8032816973        2.1948029213
 Pt        11.1390595661        4.8086215960        9.1455259326
 Pt        12.4726232463        5.5989306901       -0.1396181884
 Pt        12.5093956425        5.6065417044        6.8204926267
 Pt        11.1142230055        6.4104232059        4.5049130305
 Pt        -4.1598424677        7.2011441545        2.2005178561
 Pt        -4.1278846456        7.2180223621        9.1444598974
 Pt        -2.7890032602        8.0036054005       -0.1102892781
 Pt        -2.7512200036        8.0085811351        6.8275248673
 Pt        -4.1416884233        8.8078526787        4.5163998592
 Pt        -1.3867431765        7.1994402429        2.2079420142
 Pt        -1.3481998770        7.2206750276        9.1466599140
 Pt        -0.0124825566        8.0061082990       -0.1033831945
 Pt         0.0354844775        8.0047556272        6.8304278736
 Pt        -1.3667339890        8.8039032429        4.5185072910
 Pt         1.3895824686        7.2066476899        2.2343605839
 Pt         1.4342063998        7.2082707380        9.1747621738
 Pt         2.7598225236        8.0092361319       -0.0914707459
 Pt         2.8256776041        7.9969977276        6.9089036976
 Pt         1.4122500611        8.8041379928        4.5375975716
 Pt         4.1635111098        7.2080135177        2.2506531802
 Pt         4.2327646319        7.1906847491        9.3321016536
 Pt         5.5392636013        8.0081396751       -0.0807110845
 Pt         5.5784729991        8.0042650488        6.9092775566
 Pt         4.1745980223        8.8023456721        4.5662008750
 Pt         6.9411426523        7.2067195209        2.2302345056
 Pt         7.0003141476        7.1989279577        9.2138066576
 Pt         8.3084266177        8.0050930165       -0.1233927450
 Pt         8.3426988100        8.0136411886        6.8277611149
 Pt         6.9460164283        8.8067363670        4.5288919401
 Pt         9.7147385891        7.2084018544        2.1914148941
 Pt         9.7489599925        7.2126313460        9.1380665334
 Pt        11.0879735964        8.0061332760       -0.1234536698
 Pt        11.1149700057        8.0123972556        6.8110167939
 Pt         9.7280691402        8.8163142356        4.4939331061
 Pt        -5.5427127427        9.6127227586        2.1927485413
 Pt        -5.5197904510        9.6181293129        9.1309169670
 Pt        -4.1755659105       10.4048554337       -0.1266768328
 Pt        -4.1419874026       10.4154228566        6.8174705884
 Pt        -5.5293637257       11.2164409115        4.5054851425
 Pt        -2.7676348625        9.6082277466        2.2041825720
 Pt        -2.7403496806        9.6248004107        9.1442157334
 Pt        -1.4052760818       10.4066143168       -0.1380591528
 Pt        -1.3586813619       10.4108440843        6.8216792169
 Pt        -2.7549014090       11.2113608076        4.5048757896
 Pt         0.0008845070        9.6102802271        2.2040251873
 Pt         0.0429652106        9.6164442418        9.1412207056
 Pt         1.3675326045       10.4103476973       -0.1178827210
 Pt         1.4263879145       10.4035175541        6.8305948659
 Pt         0.0152687666       11.2101217107        4.5123930129
 Pt         2.7734670506        9.6102683511        2.2241285325
 Pt         2.8226912219        9.6081785698        9.1882115851
 Pt         4.1475895851       10.4044009359       -0.0985332932
 Pt         4.1972724781       10.4007032046        6.8540084418
 Pt         2.7910454070       11.2102305676        4.5262658806
 Pt         5.5505089670        9.6067713269        2.2342542264
 Pt         5.5981378274        9.6076227385        9.2039458648
 Pt         6.9259117700       10.4096622166       -0.1163572460
 Pt         6.9566310422       10.4069843927        6.8342457244
 Pt         5.5608808247       11.2066175241        4.5245156691
 Pt         8.3305374952        9.6109854617        2.1896367391
 Pt         8.3584462756        9.6072996363        9.1564740085
 Pt         9.7038254849       10.4108267770       -0.1412091176
 Pt         9.7250145179       10.4115697081        6.8134062162
 Pt         8.3389542716       11.2108397740        4.5087429662
 Pt        -6.9318476818       12.0121427240        2.2070684451
 Pt        -6.9056451450       12.0140666433        9.1423629249
 Pt        -5.5628224292       12.8113225312       -0.1161092985
 Pt        -5.5309747906       12.8185028290        6.8200750356
 Pt        -6.9284023376       13.6213140789        4.5274619773
 Pt        -4.1531774465       12.0148197941        2.1906701078
 Pt        -4.1303335193       12.0212231361        9.1389083446
 Pt        -2.7880728439       12.8100700502       -0.1495901298
 Pt        -2.7541800117       12.8204531424        6.8105478595
 Pt        -4.1487044332       13.6197849533        4.5026182099
 Pt        -1.3855068205       12.0117093411        2.1855040734
 Pt        -1.3537544562       12.0222606426        9.1397861224
 Pt        -0.0156207223       12.8110098755       -0.1250592243
 Pt         0.0242597877       12.8187888493        6.8218630988
 Pt        -1.3735807774       13.6175633764        4.5034831357
 Pt         1.3880698393       12.0139498623        2.2122902000
 Pt         1.4226808500       12.0114379756        9.1373248320
 Pt         2.7576582576       12.8080540476       -0.1099587706
 Pt         2.8046012360       12.8143761311        6.8254070708
 Pt         1.4040246401       13.6186597708        4.5266547982
 Pt         4.1652711912       12.0098210083        2.2060995424
 Pt         4.2012727955       12.0099408934        9.1439251715
 Pt         5.5345438706       12.8078724875       -0.1322965783
 Pt         5.5737180053       12.8159015683        6.8175636323
 Pt         4.1785555434       13.6136341350        4.5039751519
 Pt         6.9367306578       12.0065794237        2.2030868444
 Pt         6.9716849488       12.0137006266        9.1433122633
 Pt         8.3135920162       12.8100968347       -0.1143273020
 Pt         8.3412047222       12.8158698748        6.8275422583
 Pt         6.9486546013       13.6120865078        4.5028644833
  O         4.7876052955        6.8517873794       11.8944070013
  H         5.6863659267        7.1187521120       11.5411205435
  H         4.9543277264        5.8608763199       11.9670621471
     183
 i =       26, E =    -21650.0095101270
 Pt        -0.0005986709       -0.0009420418        2.1880824580
 Pt         0.0254396480        0.0057763811        9.1514540336
 Pt         1.3781056576        0.7945616460       -0.1309454668
 Pt         1.4012668742        0.8050460224        6.8241062448
 Pt         0.0090735302        1.6036613048        4.5021358007
 Pt         2.7763569580       -0.0001018489        2.1924146291
 Pt         2.8010180253        0.0054036115        9.1470994130
 Pt         4.1533389957        0.7939849244       -0.1391906651
 Pt         4.1774870088        0.8054019826        6.8230150905
 Pt         2.7834469881        1.6056100752        4.5104482181
 Pt         5.5504225711       -0.0010663374        2.1887686524
 Pt         5.5760375266        0.0042422222        9.1469466772
 Pt         6.9275469864        0.7941546550       -0.1348871285
 Pt         6.9538692828        0.8053252798        6.8248368283
 Pt         5.5559250969        1.6028739595        4.5102447342
 Pt         8.3260350138       -0.0012803574        2.1945395766
 Pt         8.3508267560        0.0026417786        9.1547598310
 Pt         9.7013604032        0.7955831714       -0.1301217731
 Pt         9.7280149083        0.8052327385        6.8242823439
 Pt         8.3323232499        1.6028037576        4.5116546474
 Pt        11.1012340113       -0.0003145796        2.1924124189
 Pt        11.1258339804        0.0041121107        9.1483157721
 Pt        12.4759451688        0.7956006311       -0.1453582921
 Pt        12.5039618121        0.8053075314        6.8181890957
 Pt        11.1094792050        1.6041984039        4.5061614005
 Pt        13.8749812423       -0.0015492626        2.1829557769
 Pt        13.8993054839        0.0066005891        9.1467268699
 Pt        15.2503069374        0.7957560729       -0.1474055906
 Pt        15.2769484162        0.8046775570        6.8161364080
 Pt        13.8819990039        1.6029818314        4.4957161327
 Pt        -1.3876834172        2.4007729623        2.1798895831
 Pt        -1.3619796568        2.4091451767        9.1491372719
 Pt        -0.0085079449        3.1996148455       -0.1371531842
 Pt         0.0149712730        3.2067738216        6.8248890313
 Pt        -1.3787490374        4.0054014414        4.5023403490
 Pt         1.3875528668        2.4030835821        2.1962593418
 Pt         1.4139154371        2.4073302091        9.1522618952
 Pt         2.7652875038        3.1983011881       -0.1189849991
 Pt         2.7914093535        3.2081884503        6.8322543965
 Pt         1.3951485108        4.0089781630        4.5196812892
 Pt         4.1634065348        2.4011305928        2.1975051758
 Pt         4.1919073010        2.4059518193        9.1553579926
 Pt         5.5406624526        3.1986058858       -0.1200469649
 Pt         5.5668429344        3.2084680326        6.8307881557
 Pt         4.1699010879        4.0121929030        4.5264750503
 Pt         6.9382140863        2.4006034365        2.1984508679
 Pt         6.9674273120        2.4025651410        9.1567657580
 Pt         8.3141466601        3.1990150636       -0.1255478194
 Pt         8.3419421421        3.2083984057        6.8301760778
 Pt         6.9455764333        4.0060000214        4.5210475128
 Pt         9.7136392581        2.4021015395        2.1967592629
 Pt         9.7406220023        2.4050788013        9.1546560267
 Pt        11.0890965903        3.1984567237       -0.1397307552
 Pt        11.1163566812        3.2068633303        6.8241599656
 Pt         9.7212705765        4.0071075729        4.5136233501
 Pt        12.4882617845        2.4014008458        2.1799792914
 Pt        12.5136099808        2.4080889141        9.1502644249
 Pt        13.8638631720        3.1986782199       -0.1539146574
 Pt        13.8897395262        3.2058708241        6.8176356735
 Pt        12.4956384905        4.0053495231        4.5034919400
 Pt        -2.7744190231        4.8016814924        2.1850595257
 Pt        -2.7467967603        4.8120118858        9.1517265754
 Pt        -1.3953781374        5.6011445004       -0.1340905143
 Pt        -1.3702862167        5.6073958531        6.8272599294
 Pt        -2.7641611801        6.4081342415        4.5073218627
 Pt         0.0008684418        4.8034096628        2.1966388858
 Pt         0.0285377913        4.8110232976        9.1592474699
 Pt         1.3815269075        5.6041409784       -0.1149485184
 Pt         1.4071776294        5.6088953639        6.8477892020
 Pt         0.0098417587        6.4071175298        4.5213587099
 Pt         2.7764310277        4.8058449434        2.2163288819
 Pt         2.8056057842        4.8031354631        9.1754563882
 Pt         4.1535659494        5.6022356056       -0.1023414478
 Pt         4.1829308396        5.6113672019        6.8761966619
 Pt         2.7853820720        6.4112670286        4.5505686770
 Pt         5.5508082559        4.8043478175        2.2184986209
 Pt         5.5931840178        4.7943747637        9.1737381782
 Pt         6.9245539060        5.6030363109       -0.1101894377
 Pt         6.9563009804        5.6111990842        6.8452852759
 Pt         5.5564012178        6.4103488906        4.5513475756
 Pt         8.3260843048        4.8040225441        2.2057614424
 Pt         8.3593012349        4.8066444131        9.1634937716
 Pt         9.7007498088        5.6003496978       -0.1290535040
 Pt         9.7302145171        5.6100740145        6.8282779340
 Pt         8.3339698803        6.4103133109        4.5208722056
 Pt        11.1001965717        4.8039292374        2.1926701602
 Pt        11.1296299832        4.8098304473        9.1534048702
 Pt        12.4764746246        5.6001889550       -0.1388770998
 Pt        12.5031279878        5.6093231710        6.8219723557
 Pt        11.1089628649        6.4113058314        4.5079537160
 Pt        -4.1601868241        7.2051249222        2.1920357487
 Pt        -4.1333814284        7.2149949538        9.1509385211
 Pt        -2.7843453916        8.0035713134       -0.1301480469
 Pt        -2.7571597293        8.0111562764        6.8240202612
 Pt        -4.1489144896        8.8119887000        4.5079121367
 Pt        -1.3854485569        7.2045174550        2.1975487913
 Pt        -1.3584579265        7.2156988672        9.1512016656
 Pt        -0.0085728982        8.0042559650       -0.1188025190
 Pt         0.0230703428        8.0094788559        6.8357490919
 Pt        -1.3728733875        8.8102613814        4.5109205460
 Pt         1.3897284064        7.2068038414        2.2188986661
 Pt         1.4181904754        7.2104522911        9.1799040383
 Pt         2.7655821127        8.0051570348       -0.1033183545
 Pt         2.8072716015        8.0044743543        6.8899955995
 Pt         1.4047145070        8.8073511244        4.5346018715
 Pt         4.1628350347        7.2075714255        2.2332514357
 Pt         4.2104395044        7.2020001053        9.2658607470
 Pt         5.5407185529        8.0051119102       -0.1007078893
 Pt         5.5697709134        8.0095741333        6.8773824215
 Pt         4.1695528847        8.8087593942        4.5510531713
 Pt         6.9378623289        7.2067916862        2.2184017559
 Pt         6.9888899712        7.2080955248        9.1751478689
 Pt         8.3133741658        8.0033240273       -0.1216525597
 Pt         8.3425525162        8.0143890114        6.8272861411
 Pt         6.9415818080        8.8099078788        4.5249201277
 Pt         9.7128164994        7.2068449971        2.1956897085
 Pt         9.7444244066        7.2143536293        9.1523214589
 Pt        11.0896351166        8.0037589919       -0.1320173852
 Pt        11.1155262987        8.0130650541        6.8214510308
 Pt         9.7225523547        8.8157331618        4.5044237609
 Pt        -5.5474806804        9.6108822867        2.1892412097
 Pt        -5.5221085649        9.6182967129        9.1437843794
 Pt        -4.1717692244       10.4050701394       -0.1338279300
 Pt        -4.1449074195       10.4163848101        6.8177242436
 Pt        -5.5371755898       11.2160046790        4.5029379308
 Pt        -2.7706347299        9.6094872618        2.1908865874
 Pt        -2.7469916610        9.6188895538        9.1444507702
 Pt        -1.3977708920       10.4069563628       -0.1402644701
 Pt        -1.3668110399       10.4137119598        6.8229768367
 Pt        -2.7617803758       11.2136637863        4.5027672402
 Pt         0.0018523997        9.6100035685        2.1989902925
 Pt         0.0310540351        9.6159231657        9.1543994538
 Pt         1.3769128286       10.4078075819       -0.1205290853
 Pt         1.4113054770       10.4114633346        6.8358687342
 Pt         0.0117187234       11.2113939401        4.5105519885
 Pt         2.7759908269        9.6099201168        2.2169001037
 Pt         2.8081213503        9.6169400563        9.1821843307
 Pt         4.1525634352       10.4044480036       -0.1145274155
 Pt         4.1839229091       10.4111533214        6.8483039597
 Pt         2.7855360162       11.2138057711        4.5221411457
 Pt         5.5497197269        9.6091837196        2.2174313818
 Pt         5.5863750239        9.6173909250        9.1796736882
 Pt         6.9272766305       10.4082036426       -0.1236610317
 Pt         6.9541736397       10.4147371149        6.8318781980
 Pt         5.5570292596       11.2128284511        4.5196412906
 Pt         8.3258049007        9.6105919949        2.1942798634
 Pt         8.3540338415        9.6148644917        9.1565324354
 Pt         9.7031858230       10.4075684556       -0.1402575251
 Pt         9.7268081673       10.4165172254        6.8207437569
 Pt         8.3337546273       11.2135834708        4.5075872447
 Pt        -6.9352551509       12.0130034872        2.1913062422
 Pt        -6.9111744379       12.0199935576        9.1459598379
 Pt        -5.5594386808       12.8106146491       -0.1322800189
 Pt        -5.5337935036       12.8195168832        6.8190630801
 Pt        -6.9277100777       13.6188490900        4.5084202513
 Pt        -4.1586934773       12.0137630586        2.1871556620
 Pt        -4.1360592260       12.0205892455        9.1417744096
 Pt        -2.7830575332       12.8108442205       -0.1392175416
 Pt        -2.7579683047       12.8190304783        6.8174911021
 Pt        -4.1518775219       13.6179120481        4.5034731610
 Pt        -1.3849632361       12.0121246829        2.1869381886
 Pt        -1.3604537767       12.0199350614        9.1449587235
 Pt        -0.0099018620       12.8105021732       -0.1331565513
 Pt         0.0184956846       12.8193409925        6.8239492167
 Pt        -1.3771848987       13.6164306208        4.5065820308
 Pt         1.3894946060       12.0138393816        2.1996216003
 Pt         1.4146075619       12.0177800225        9.1502177625
 Pt         2.7646738406       12.8090317478       -0.1281456147
 Pt         2.7943385418       12.8183982526        6.8266620331
 Pt         1.3972236143       13.6172855300        4.5114628911
 Pt         4.1636762540       12.0130653539        2.1994724552
 Pt         4.1914670704       12.0178706631        9.1550865826
 Pt         5.5386439026       12.8091545118       -0.1354230054
 Pt         5.5667443131       12.8194137424        6.8231954498
 Pt         4.1720724054       13.6172776155        4.5052520630
 Pt         6.9368192929       12.0119007670        2.1948900391
 Pt         6.9647916965       12.0203873141        9.1505525141
 Pt         8.3149561838       12.8107753451       -0.1332571045
 Pt         8.3392769059       12.8201821034        6.8225028120
 Pt         6.9464770236       13.6163198943        4.5025806303
  O         4.9626607145        6.8861435370       11.9227763158
  H         5.8803080198        7.0956187971       11.6471278925
  H         4.9861161770        5.9174287830       12.0091692956
     183
 i =       27, E =    -21650.0095969928
 Pt        -0.0004019025       -0.0009911101        2.1883972245
 Pt         0.0253905921        0.0059110553        9.1526464882
 Pt         1.3778085305        0.7948576432       -0.1319731371
 Pt         1.4014378041        0.8048702507        6.8247765039
 Pt         0.0093283564        1.6034009214        4.5033353899
 Pt         2.7764691054       -0.0001044356        2.1916695467
 Pt         2.8005216968        0.0054738046        9.1483745278
 Pt         4.1532281830        0.7943936537       -0.1396470115
 Pt         4.1775415995        0.8050866318        6.8236338040
 Pt         2.7836495557        1.6054041674        4.5103166343
 Pt         5.5504177306       -0.0009793055        2.1886024871
 Pt         5.5760349733        0.0038593359        9.1478548505
 Pt         6.9276490750        0.7946427514       -0.1350438547
 Pt         6.9538374056        0.8048315728        6.8252341395
 Pt         5.5559360879        1.6028760731        4.5095931776
 Pt         8.3260571198       -0.0011968054        2.1937789203
 Pt         8.3512362613        0.0025246285        9.1556121497
 Pt         9.7014452189        0.7956929325       -0.1314894846
 Pt         9.7279750920        0.8048891035        6.8249470918
 Pt         8.3322538038        1.6026611410        4.5114565967
 Pt        11.1010466087       -0.0003957293        2.1923037628
 Pt        11.1259146419        0.0040843446        9.1498560398
 Pt        12.4758876556        0.7955324557       -0.1447931494
 Pt        12.5037730925        0.8051422067        6.8195649628
 Pt        11.1091816988        1.6039653022        4.5070617036
 Pt        13.8749275729       -0.0015540852        2.1838910650
 Pt        13.8993811585        0.0065083650        9.1479589322
 Pt        15.2503137468        0.7958380264       -0.1463841005
 Pt        15.2769942384        0.8045168786        6.8174137493
 Pt        13.8818557195        1.6029728805        4.4976783694
 Pt        -1.3876141155        2.4008012066        2.1813942281
 Pt        -1.3618218750        2.4090307351        9.1500358242
 Pt        -0.0085916866        3.1997632238       -0.1370131168
 Pt         0.0151100171        3.2067378998        6.8258841277
 Pt        -1.3787165723        4.0054261074        4.5038563720
 Pt         1.3876131214        2.4030391773        2.1955473283
 Pt         1.4138164685        2.4072542145        9.1535603709
 Pt         2.7654196670        3.1984294626       -0.1205888658
 Pt         2.7914274989        3.2076789345        6.8327752350
 Pt         1.3952767381        4.0086123902        4.5197440167
 Pt         4.1633630694        2.4013595282        2.1966051122
 Pt         4.1916102581        2.4056238960        9.1564590522
 Pt         5.5406410078        3.1989020830       -0.1215701288
 Pt         5.5669443420        3.2075002133        6.8307330934
 Pt         4.1699278384        4.0121996839        4.5259038857
 Pt         6.9383163654        2.4008915887        2.1974286523
 Pt         6.9672420234        2.4021107480        9.1574374666
 Pt         8.3140495429        3.1992676772       -0.1276166735
 Pt         8.3421973271        3.2077233139        6.8305947467
 Pt         6.9456429033        4.0058455056        4.5205265164
 Pt         9.7135636010        2.4019862423        2.1956988894
 Pt         9.7407318813        2.4050068910        9.1558956621
 Pt        11.0889211278        3.1984401168       -0.1396907303
 Pt        11.1162632640        3.2067583207        6.8250682468
 Pt         9.7211803330        4.0068033750        4.5132473267
 Pt        12.4881680843        2.4013828328        2.1810186963
 Pt        12.5136051182        2.4079931604        9.1513442353
 Pt        13.8637612464        3.1987168062       -0.1522772681
 Pt        13.8895840629        3.2058748157        6.8192233272
 Pt        12.4954931881        4.0052517193        4.5042863623
 Pt        -2.7743876112        4.8019521733        2.1858051055
 Pt        -2.7468319155        4.8117221630        9.1523603688
 Pt        -1.3954223750        5.6013211119       -0.1340477370
 Pt        -1.3702537930        5.6074566605        6.8282673181
 Pt        -2.7641442911        6.4083830230        4.5080481049
 Pt         0.0008080217        4.8035317537        2.1967010442
 Pt         0.0286296774        4.8107727057        9.1602585115
 Pt         1.3814236570        5.6039493555       -0.1156729727
 Pt         1.4072490601        5.6086623156        6.8486256123
 Pt         0.0100387675        6.4070560284        4.5219156536
 Pt         2.7763257915        4.8058361512        2.2155289281
 Pt         2.8054287108        4.8027784647        9.1764828988
 Pt         4.1533928472        5.6022171321       -0.1040794762
 Pt         4.1828298362        5.6108198666        6.8756697907
 Pt         2.7853301788        6.4111781132        4.5503806370
 Pt         5.5508190180        4.8044141069        2.2170544878
 Pt         5.5931119331        4.7941133655        9.1729979268
 Pt         6.9246082163        5.6030684866       -0.1124311985
 Pt         6.9564799193        5.6104858281        6.8447878383
 Pt         5.5564033911        6.4104289172        4.5500605317
 Pt         8.3261356758        4.8040097984        2.2043127939
 Pt         8.3592562534        4.8064039806        9.1640566370
 Pt         9.7005921969        5.6005521353       -0.1304522737
 Pt         9.7304003591        5.6097974121        6.8286121224
 Pt         8.3339488781        6.4100768666        4.5200192760
 Pt        11.1002413885        4.8039874073        2.1921481262
 Pt        11.1296608934        4.8097041139        9.1546094811
 Pt        12.4764268412        5.6004870289       -0.1388510465
 Pt        12.5030633721        5.6093164539        6.8228596945
 Pt        11.1089180986        6.4111269944        4.5080127377
 Pt        -4.1602745657        7.2053732595        2.1916654112
 Pt        -4.1331332055        7.2147711089        9.1526314198
 Pt        -2.7844209234        8.0036137082       -0.1309734870
 Pt        -2.7570986987        8.0110707829        6.8248905704
 Pt        -4.1490901546        8.8120742553        4.5078116870
 Pt        -1.3853901273        7.2047794512        2.1973911045
 Pt        -1.3586608925        7.2154219896        9.1528517147
 Pt        -0.0086864698        8.0043802241       -0.1192376256
 Pt         0.0228292443        8.0093240793        6.8370820946
 Pt        -1.3727670678        8.8103438973        4.5114409542
 Pt         1.3898094067        7.2068254209        2.2179254426
 Pt         1.4175238487        7.2103354819        9.1815985095
 Pt         2.7657945800        8.0051291443       -0.1043160395
 Pt         2.8066868421        8.0042701922        6.8907167390
 Pt         1.4049617788        8.8069214974        4.5351990061
 Pt         4.1628627893        7.2074997635        2.2319562017
 Pt         4.2094401739        7.2020248093        9.2646638575
 Pt         5.5404968744        8.0050049134       -0.1031054045
 Pt         5.5698606116        8.0094975923        6.8767675983
 Pt         4.1697408523        8.8087873217        4.5507552334
 Pt         6.9377959998        7.2068032315        2.2166101949
 Pt         6.9895326181        7.2082132517        9.1735946417
 Pt         8.3135446381        8.0034028555       -0.1229921614
 Pt         8.3432674657        8.0142378338        6.8272952379
 Pt         6.9414415040        8.8098192742        4.5244221369
 Pt         9.7129194729        7.2068872776        2.1949454021
 Pt         9.7449514052        7.2141931950        9.1534017928
 Pt        11.0894652267        8.0036557085       -0.1334895812
 Pt        11.1159530127        8.0129227007        6.8223990059
 Pt         9.7224383750        8.8155198165        4.5046946375
 Pt        -5.5476854491        9.6107066787        2.1888444514
 Pt        -5.5217000804        9.6181245010        9.1454266514
 Pt        -4.1718203791       10.4051770191       -0.1340782744
 Pt        -4.1446713126       10.4162030691        6.8186204245
 Pt        -5.5374320931       11.2158689601        4.5034974471
 Pt        -2.7706254647        9.6095292882        2.1906210420
 Pt        -2.7470246270        9.6184871532        9.1456977835
 Pt        -1.3976694398       10.4071899776       -0.1402577713
 Pt        -1.3666943005       10.4135917499        6.8239039005
 Pt        -2.7617619883       11.2136904213        4.5033916528
 Pt         0.0019617851        9.6098957514        2.1988995481
 Pt         0.0306084392        9.6157376455        9.1562261780
 Pt         1.3772767381       10.4077720879       -0.1207551668
 Pt         1.4107566160       10.4116103636        6.8368562244
 Pt         0.0120289229       11.2111648497        4.5108860175
 Pt         2.7761919377        9.6097582426        2.2165812457
 Pt         2.8077998369        9.6173212587        9.1828613165
 Pt         4.1524969481       10.4044741372       -0.1157671193
 Pt         4.1835946346       10.4114509697        6.8487617809
 Pt         2.7855879090       11.2136644047        4.5222412437
 Pt         5.5496950399        9.6091830055        2.2160057956
 Pt         5.5864089037        9.6176839152        9.1789271439
 Pt         6.9271626237       10.4081031022       -0.1247851118
 Pt         6.9544981964       10.4149443353        6.8322669039
 Pt         5.5570730748       11.2128966446        4.5193510582
 Pt         8.3257104820        9.6104545449        2.1938257873
 Pt         8.3544067521        9.6149820417        9.1569474654
 Pt         9.7029130098       10.4074129680       -0.1410327602
 Pt         9.7272980231       10.4165139578        6.8218070867
 Pt         8.3336170777       11.2134446139        4.5077861827
 Pt        -6.9352821688       12.0127016103        2.1905314936
 Pt        -6.9112690544       12.0202256661        9.1475881689
 Pt        -5.5594707856       12.8106132342       -0.1327868923
 Pt        -5.5336391693       12.8194432614        6.8201397968
 Pt        -6.9274228709       13.6184823277        4.5082328488
 Pt        -4.1588387362       12.0136090673        2.1876147517
 Pt        -4.1360700723       12.0204625197        9.1430166123
 Pt        -2.7829929635       12.8109475249       -0.1385154230
 Pt        -2.7579100897       12.8188102564        6.8184433932
 Pt        -4.1517935864       13.6179099586        4.5039181678
 Pt        -1.3848451504       12.0120852573        2.1874897641
 Pt        -1.3604170985       12.0195865048        9.1460294672
 Pt        -0.0099247856       12.8105544639       -0.1335003261
 Pt         0.0184795867       12.8191719438        6.8247099946
 Pt        -1.3772014246       13.6164052948        4.5069081232
 Pt         1.3895400290       12.0137355727        2.1987428240
 Pt         1.4146034138       12.0178215935        9.1519735947
 Pt         2.7647953539       12.8091449219       -0.1292197413
 Pt         2.7940534305       12.8183887096        6.8276802749
 Pt         1.3969356339       13.6169643788        4.5111356051
 Pt         4.1635743455       12.0129920608        2.1989854269
 Pt         4.1912306429       12.0180419834        9.1567422918
 Pt         5.5385320447       12.8092594727       -0.1354152135
 Pt         5.5666949535       12.8192500716        6.8244160806
 Pt         4.1718863730       13.6171946755        4.5061481642
 Pt         6.9369050692       12.0119372301        2.1941675088
 Pt         6.9647097432       12.0205906196        9.1520477777
 Pt         8.3148399963       12.8109853819       -0.1342139073
 Pt         8.3394709302       12.8201763290        6.8233954430
 Pt         6.9465230916       13.6161999809        4.5032703689
  O         4.9636407502        6.8848596948       11.9223709237
  H         5.8806130554        7.1008801297       11.6487238575
  H         4.9838845497        5.9151511713       12.0066352970
     183
 i =       28, E =    -21650.0099440162
 Pt         0.0001493737       -0.0019335622        2.1929458975
 Pt         0.0258783101        0.0055215851        9.1598912629
 Pt         1.3761518889        0.7959754520       -0.1311492342
 Pt         1.4024757017        0.8038459796        6.8294962660
 Pt         0.0100339343        1.6013845220        4.5090432656
 Pt         2.7767554531       -0.0002452338        2.1925724454
 Pt         2.8001297616        0.0049394983        9.1534670080
 Pt         4.1521150510        0.7958313485       -0.1402442219
 Pt         4.1781272673        0.8040194154        6.8246766210
 Pt         2.7841151294        1.6045725284        4.5102019202
 Pt         5.5503616528       -0.0007453000        2.1888285637
 Pt         5.5770469370        0.0019901591        9.1487391348
 Pt         6.9271107229        0.7964422378       -0.1351535341
 Pt         6.9544692048        0.8030071175        6.8254235137
 Pt         5.5562948958        1.6028766692        4.5060241150
 Pt         8.3261894811       -0.0010780573        2.1935962063
 Pt         8.3533873999        0.0007803452        9.1592521907
 Pt         9.7009450977        0.7965467112       -0.1324162302
 Pt         9.7284187362        0.8030943205        6.8294925477
 Pt         8.3327392671        1.6017789785        4.5110511845
 Pt        11.1005656948       -0.0010904292        2.1956079036
 Pt        11.1274034081        0.0024865966        9.1574289310
 Pt        12.4746794708        0.7960276864       -0.1392239341
 Pt        12.5038149368        0.8034174249        6.8275308229
 Pt        11.1089704178        1.6022948872        4.5127258999
 Pt        13.8747459562       -0.0026124679        2.1900962213
 Pt        13.9005297492        0.0052578757        9.1545161171
 Pt        15.2492079507        0.7967716948       -0.1396772762
 Pt        15.2779298199        0.8028537659        6.8246946805
 Pt        13.8817737524        1.6011880781        4.5063098844
 Pt        -1.3881005165        2.4002152214        2.1881732137
 Pt        -1.3603981511        2.4084470044        9.1547030363
 Pt        -0.0100229547        3.2005980332       -0.1337058750
 Pt         0.0160081617        3.2059403715        6.8300083113
 Pt        -1.3787345823        4.0040653645        4.5099080185
 Pt         1.3872043889        2.4028215674        2.1957131379
 Pt         1.4148277619        2.4064712487        9.1573469624
 Pt         2.7650119034        3.1993492724       -0.1238218605
 Pt         2.7924814963        3.2064147745        6.8326551240
 Pt         1.3957512880        4.0070208857        4.5202540270
 Pt         4.1632932911        2.4020882640        2.1932834675
 Pt         4.1925933609        2.4037877315        9.1558639593
 Pt         5.5398099439        3.2005186953       -0.1279028271
 Pt         5.5685451314        3.2051323608        6.8273601342
 Pt         4.1707243772        4.0124978348        4.5221858839
 Pt         6.9388385407        2.4018885664        2.1935322338
 Pt         6.9684843554        2.3996141480        9.1563357277
 Pt         8.3130643763        3.2007685980       -0.1334398902
 Pt         8.3440986466        3.2053700572        6.8306852541
 Pt         6.9466619379        4.0054638882        4.5169026911
 Pt         9.7136190771        2.4015711928        2.1945492063
 Pt         9.7425951838        2.4034075006        9.1611296859
 Pt        11.0877325057        3.1989295062       -0.1379455852
 Pt        11.1166511995        3.2055852477        6.8300302402
 Pt         9.7216920550        4.0052991633        4.5122001124
 Pt        12.4877600725        2.4007499743        2.1867815254
 Pt        12.5149600964        2.4070915567        9.1576143485
 Pt        13.8624698598        3.1993696894       -0.1453631999
 Pt        13.8895412862        3.2049506773        6.8261587337
 Pt        12.4952993567        4.0039212270        4.5089241558
 Pt        -2.7749736522        4.8023584720        2.1903675325
 Pt        -2.7452603009        4.8108197730        9.1569334990
 Pt        -1.3966103029        5.6024212369       -0.1308373107
 Pt        -1.3693951335        5.6067915764        6.8338527344
 Pt        -2.7637859330        6.4077522225        4.5131507329
 Pt        -0.0001736552        4.8036588998        2.1995336123
 Pt         0.0306946619        4.8097740273        9.1642648207
 Pt         1.3803010116        5.6042481134       -0.1147466055
 Pt         1.4089765197        5.6071691206        6.8517144560
 Pt         0.0109624698        6.4055829961        4.5256972675
 Pt         2.7762996504        4.8060132390        2.2137041435
 Pt         2.8068633685        4.8000956540        9.1790112010
 Pt         4.1521661330        5.6030589793       -0.1090732635
 Pt         4.1846547982        5.6085883412        6.8755341203
 Pt         2.7864408725        6.4102504362        4.5513996784
 Pt         5.5512988898        4.8048951434        2.2114297623
 Pt         5.5951722884        4.7913925587        9.1705268047
 Pt         6.9235293994        5.6040660955       -0.1200107788
 Pt         6.9587380051        5.6080927283        6.8424602287
 Pt         5.5576844658        6.4101611181        4.5470986159
 Pt         8.3265850732        4.8040686895        2.1991298892
 Pt         8.3611403460        4.8043100921        9.1638185053
 Pt         9.6995194648        5.6015648373       -0.1342108585
 Pt         9.7322138190        5.6082198714        6.8286106742
 Pt         8.3348414006        6.4089009200        4.5159565017
 Pt        11.1002899076        4.8042114761        2.1918214702
 Pt        11.1315000043        4.8085948911        9.1594774231
 Pt        12.4756550565        5.6016132618       -0.1376113894
 Pt        12.5035367465        5.6087924583        6.8277684178
 Pt        11.1096196646        6.4100997166        4.5085053984
 Pt        -4.1603456220        7.2060401652        2.1928588233
 Pt        -4.1309681996        7.2137776965        9.1603185789
 Pt        -2.7854801046        8.0042578710       -0.1302486675
 Pt        -2.7557996205        8.0097731452        6.8310970022
 Pt        -4.1482665208        8.8116703797        4.5105394762
 Pt        -1.3855582926        7.2051777255        2.2008943153
 Pt        -1.3573675219        7.2144084762        9.1608563221
 Pt        -0.0099090703        8.0054417207       -0.1163057559
 Pt         0.0238512130        8.0075139231        6.8430939642
 Pt        -1.3714308324        8.8092431407        4.5166391446
 Pt         1.3901981197        7.2069874074        2.2183422479
 Pt         1.4172403416        7.2088669668        9.1878884126
 Pt         2.7655076653        8.0057165565       -0.1052560643
 Pt         2.8073348261        8.0021274453        6.8957657609
 Pt         1.4069889644        8.8045899824        4.5393022374
 Pt         4.1635090158        7.2071590354        2.2292618747
 Pt         4.2080071720        7.1998979404        9.2677589174
 Pt         5.5391878996        8.0053871310       -0.1095335504
 Pt         5.5715394422        8.0076332233        6.8778394928
 Pt         4.1714084018        8.8076125522        4.5521606152
 Pt         6.9379864919        7.2067165759        2.2107934718
 Pt         6.9928423370        7.2063737491        9.1717657063
 Pt         8.3130121256        8.0041778020       -0.1295519738
 Pt         8.3464582823        8.0127828999        6.8253801725
 Pt         6.9419177643        8.8085765534        4.5226708278
 Pt         9.7131957914        7.2071845809        2.1920903358
 Pt         9.7480929854        7.2125216571        9.1545614041
 Pt        11.0884444973        8.0038413155       -0.1371024821
 Pt        11.1185716181        8.0120351597        6.8254376435
 Pt         9.7233683910        8.8147322284        4.5045936425
 Pt        -5.5477423106        9.6101177319        2.1892549324
 Pt        -5.5197103750        9.6169053585        9.1513937282
 Pt        -4.1728749451       10.4056870229       -0.1315044357
 Pt        -4.1427407975       10.4150138025        6.8240527632
 Pt        -5.5368631405       11.2151775921        4.5082595307
 Pt        -2.7701058126        9.6092298015        2.1936787120
 Pt        -2.7459384948        9.6170612299        9.1521666892
 Pt        -1.3985539267       10.4082558962       -0.1367072854
 Pt        -1.3650850161       10.4120125248        6.8290022875
 Pt        -2.7605046436       11.2131618788        4.5081584124
 Pt         0.0026199875        9.6095015601        2.2019981099
 Pt         0.0312888262        9.6144325171        9.1631565343
 Pt         1.3773558957       10.4081889705       -0.1190619233
 Pt         1.4112775809       10.4103263529        6.8414992735
 Pt         0.0140075539       11.2096025578        4.5144922555
 Pt         2.7770009336        9.6089656169        2.2177537244
 Pt         2.8087321753        9.6167411718        9.1862412566
 Pt         4.1516367701       10.4047890298       -0.1179396133
 Pt         4.1843296049       10.4103407032        6.8514497739
 Pt         2.7867142235       11.2122179909        4.5245117162
 Pt         5.5497923210        9.6084725184        2.2128136527
 Pt         5.5884951777        9.6164593308        9.1794772420
 Pt         6.9261531379       10.4084089675       -0.1279873588
 Pt         6.9563027514       10.4138263163        6.8337067137
 Pt         5.5578467884       11.2116878715        4.5199968110
 Pt         8.3254991447        9.6096680915        2.1919163545
 Pt         8.3567893438        9.6135531399        9.1576504312
 Pt         9.7013939053       10.4076265932       -0.1415379443
 Pt         9.7296643938       10.4155975369        6.8260462333
 Pt         8.3342198359       11.2120980261        4.5099221402
 Pt        -6.9349465532       12.0114467908        2.1920717683
 Pt        -6.9107577565       12.0196726397        9.1553527521
 Pt        -5.5605446309       12.8111382265       -0.1297161352
 Pt        -5.5324886703       12.8184195698        6.8267507438
 Pt        -6.9262820682       13.6167833289        4.5121489757
 Pt        -4.1587143117       12.0128662984        2.1924579231
 Pt        -4.1354838470       12.0195308037        9.1488834107
 Pt        -2.7838376865       12.8117181953       -0.1339851358
 Pt        -2.7571068461       12.8173566307        6.8224164233
 Pt        -4.1512122532       13.6177011884        4.5073023018
 Pt        -1.3842388786       12.0116921285        2.1917275228
 Pt        -1.3592664773       12.0178513339        9.1499953782
 Pt        -0.0109144707       12.8112178009       -0.1320242256
 Pt         0.0192314937       12.8177821875        6.8287214844
 Pt        -1.3763957099       13.6159745718        4.5089608498
 Pt         1.3897646329       12.0132263770        2.1991707914
 Pt         1.4161321374       12.0161976132        9.1582178087
 Pt         2.7642526768       12.8099397415       -0.1291051092
 Pt         2.7941489281       12.8170354168        6.8329415947
 Pt         1.3970718080       13.6154047788        4.5133457966
 Pt         4.1631945201       12.0121581698        2.1998089366
 Pt         4.1923576538       12.0165536833        9.1618240280
 Pt         5.5373883752       12.8101152284       -0.1326383766
 Pt         5.5675710067       12.8175604587        6.8297632388
 Pt         4.1719566045       13.6156516372        4.5118843421
 Pt         6.9372483796       12.0109327866        2.1945680552
 Pt         6.9657139958       12.0195307111        9.1569247745
 Pt         8.3137378686       12.8121476968       -0.1326438024
 Pt         8.3412013102       12.8189547503        6.8294030235
 Pt         6.9473215609       13.6142791703        4.5087199074
  O         4.9361173926        6.8814746098       11.9069923956
  H         5.8440302030        7.1283009803       11.6294854369
  H         4.9554072410        5.9069235945       11.9559895548
     183
 i =       29, E =    -21650.0094016835
 Pt         0.0014460283       -0.0061374111        2.2129037269
 Pt         0.0290872452        0.0029480769        9.1905567477
 Pt         1.3690176382        0.8003509053       -0.1228429618
 Pt         1.4068439273        0.7996299326        6.8498194498
 Pt         0.0123631196        1.5928739930        4.5317563992
 Pt         2.7779116820       -0.0009206530        2.1999904191
 Pt         2.8005526769        0.0016306376        9.1740014327
 Pt         4.1467908632        0.8010727192       -0.1419693123
 Pt         4.1810612200        0.8000523732        6.8272110842
 Pt         2.7859032800        1.6017067680        4.5107607657
 Pt         5.5502334907       -0.0002855611        2.1901000691
 Pt         5.5827169248       -0.0060717340        9.1505565932
 Pt         6.9239186926        0.8030234400       -0.1355814829
 Pt         6.9581585504        0.7961047605        6.8249637837
 Pt         5.5581693843        1.6028213666        4.4912082815
 Pt         8.3265943889       -0.0009462832        2.1957867087
 Pt         8.3632625255       -0.0074602787        9.1743563658
 Pt         9.6975298899        0.8001598784       -0.1309439381
 Pt         9.7315915570        0.7958248372        6.8490868788
 Pt         8.3357069338        1.5982908147        4.5108500055
 Pt        11.0993113550       -0.0040989892        2.2109727505
 Pt        11.1350331978       -0.0052763092        9.1884861999
 Pt        12.4687670095        0.7985432382       -0.1175990054
 Pt        12.5055564042        0.7960442702        6.8597120431
 Pt        11.1098330645        1.5951837140        4.5364798342
 Pt        13.8742432489       -0.0078281453        2.2139205185
 Pt        13.9064623289       -0.0004392188        9.1814861135
 Pt        15.2437322621        0.8007106888       -0.1146785646
 Pt        15.2825145277        0.7956344721        6.8541414351
 Pt        13.8821215880        1.5928147595        4.5387214144
 Pt        -1.3909695887        2.3971714100        2.2120778672
 Pt        -1.3535884089        2.4055499854        9.1746585787
 Pt        -0.0163771188        3.2043059045       -0.1208481709
 Pt         0.0198259200        3.2022308490        6.8460325052
 Pt        -1.3789855646        3.9969664892        4.5322660167
 Pt         1.3848646270        2.4021428825        2.1981596939
 Pt         1.4203199328        2.4022085072        9.1710873221
 Pt         2.7621455189        3.2031850899       -0.1328959479
 Pt         2.7974007823        3.2017562017        6.8311246888
 Pt         1.3972469226        4.0006462656        4.5230082165
 Pt         4.1630859773        2.4046282842        2.1804678596
 Pt         4.1986416022        2.3953408016        9.1505549574
 Pt         5.5355192925        3.2068342748       -0.1517815534
 Pt         5.5762233626        3.1966540758        6.8126868325
 Pt         4.1742742880        4.0138183693        4.5084969094
 Pt         6.9406684497        2.4050001422        2.1788710023
 Pt         6.9755246779        2.3885336209        9.1504938267
 Pt         8.3079091890        3.2067035089       -0.1519414842
 Pt         8.3530692174        3.1964612404        6.8309956055
 Pt         6.9519730681        4.0037989340        4.5033037290
 Pt         9.7145494753        2.4000024629        2.1928619879
 Pt         9.7520540735        2.3954855535        9.1823441679
 Pt        11.0821557828        3.2014734970       -0.1308453782
 Pt        11.1198676567        3.2001556716        6.8505635616
 Pt         9.7253254994        3.9991296109        4.5096403008
 Pt        12.4864659042        2.3978421524        2.2077673679
 Pt        12.5222576832        2.4026184620        9.1843666630
 Pt        13.8563533164        3.2024798707       -0.1232988598
 Pt        13.8904309315        3.2003177949        6.8532446400
 Pt        12.4955368372        3.9971603873        4.5269246159
 Pt        -2.7779510116        4.8027511724        2.2069224384
 Pt        -2.7370581020        4.8069200003        9.1775234876
 Pt        -1.4022037432        5.6070781252       -0.1174914683
 Pt        -1.3651739964        5.6027895714        6.8566448004
 Pt        -2.7617050033        6.4035580803        4.5345940838
 Pt        -0.0046564028        4.8035948494        2.2108818163
 Pt         0.0401558143        4.8050609759        9.1802985470
 Pt         1.3753679009        5.6066211875       -0.1066794485
 Pt         1.4170222103        5.6005864829        6.8648191024
 Pt         0.0150136840        6.3982510002        4.5421824186
 Pt         2.7760510845        4.8068060194        2.2090692501
 Pt         2.8142876965        4.7877009231        9.1889661120
 Pt         4.1467171397        5.6072537472       -0.1244556479
 Pt         4.1940027631        5.5998698655        6.8798404747
 Pt         2.7919441426        6.4060163102        4.5591837636
 Pt         5.5535996793        4.8064806686        2.1919521039
 Pt         5.6067850378        4.7779507783        9.1634441174
 Pt         6.9179784722        5.6090711565       -0.1473386274
 Pt         6.9692966224        5.5992043352        6.8363442592
 Pt         5.5638180801        6.4086711717        4.5407281946
 Pt         8.3287580882        4.8045329314        2.1803887032
 Pt         8.3715396118        4.7945624326        9.1636221509
 Pt         9.6941900449        5.6060948108       -0.1471864569
 Pt         9.7408495413        5.6017938121        6.8287039802
 Pt         8.3400675909        6.4042885498        4.5018024759
 Pt        11.1008491814        4.8049432476        2.1914424698
 Pt        11.1413970823        4.8030924972        9.1787533008
 Pt        12.4716295900        5.6062530687       -0.1327546117
 Pt        12.5067570243        5.6055687490        6.8478811509
 Pt        11.1135093123        6.4056591347        4.5110131031
 Pt        -4.1607575202        7.2078857049        2.1991225068
 Pt        -4.1205367301        7.2095404031        9.1911850348
 Pt        -2.7907874507        8.0070854624       -0.1235659287
 Pt        -2.7492115046        8.0035435120        6.8575687047
 Pt        -4.1435333986        8.8091056773        4.5238227463
 Pt        -1.3864819244        7.2057492797        2.2173626527
 Pt        -1.3502344538        7.2104858965        9.1933643455
 Pt        -0.0158760678        8.0099437843       -0.1004752235
 Pt         0.0300626505        7.9989396848        6.8675816220
 Pt        -1.3648333115        8.8035959881        4.5393864835
 Pt         1.3916652715        7.2073053910        2.2241641300
 Pt         1.4183179339        7.2017789028        9.2135535475
 Pt         2.7629597468        8.0089637279       -0.1047394972
 Pt         2.8135396494        7.9918829661        6.9207828530
 Pt         1.4165207341        8.7944395196        4.5572495953
 Pt         4.1663383586        7.2058642578        2.2240899749
 Pt         4.2055124527        7.1893660195        9.2903303723
 Pt         5.5334560450        8.0077282764       -0.1291662790
 Pt         5.5804067630        7.9988021602        6.8893202579
 Pt         4.1790957473        8.8017191891        4.5625343332
 Pt         6.9395340480        7.2064377207        2.1913065843
 Pt         7.0089761650        7.1972452353        9.1699950406
 Pt         8.3099122953        8.0077998442       -0.1532511607
 Pt         8.3594172392        8.0063197901        6.8192712805
 Pt         6.9449761322        8.8030610443        4.5184499798
 Pt         9.7145621226        7.2088640271        2.1809545204
 Pt         9.7624220706        7.2049089647        9.1579451973
 Pt        11.0836743951        8.0051048145       -0.1489273664
 Pt        11.1295101194        8.0078208048        6.8373081120
 Pt         9.7284051030        8.8115985168        4.5036625956
 Pt        -5.5469651812        9.6079972941        2.1929292528
 Pt        -5.5108703210        9.6112994508        9.1747689284
 Pt        -4.1780230901       10.4079185629       -0.1188458364
 Pt        -4.1341089525       10.4094889362        6.8468631255
 Pt        -5.5330519344       11.2121586124        4.5290992946
 Pt        -2.7675860639        9.6077867430        2.2090336068
 Pt        -2.7400977278        9.6117040131        9.1792946510
 Pt        -1.4036701916       10.4127045732       -0.1210437797
 Pt        -1.3571019592       10.4045748838        6.8503966817
 Pt        -2.7540742732       11.2104420800        4.5289694056
 Pt         0.0049969115        9.6080193881        2.2172379107
 Pt         0.0362769552        9.6086348500        9.1901781961
 Pt         1.3757672405       10.4106560242       -0.1095767914
 Pt         1.4157641810       10.4035778926        6.8603669617
 Pt         0.0227355622       11.2029300440        4.5306550285
 Pt         2.7799012641        9.6059140937        2.2252534345
 Pt         2.8148815934        9.6126480277        9.2024938231
 Pt         4.1472761142       10.4063726415       -0.1222736106
 Pt         4.1897215326       10.4036641944        6.8649729404
 Pt         2.7924569980       11.2057946158        4.5358956128
 Pt         5.5503612848        9.6053161654        2.2046690506
 Pt         5.5991867660        9.6096895494        9.1868696440
 Pt         6.9215740492       10.4102585209       -0.1369496320
 Pt         6.9643176838       10.4074377187        6.8414913805
 Pt         5.5618358516       11.2058076009        4.5253246169
 Pt         8.3254131362        9.6063350158        2.1853558270
 Pt         8.3676926687        9.6058199377        9.1619609767
 Pt         9.6950779808       10.4092524517       -0.1419723567
 Pt         9.7394603963       10.4109140250        6.8433267212
 Pt         8.3377251506       11.2059795126        4.5204747005
 Pt        -6.9331887536       12.0061815563        2.2025402058
 Pt        -6.9075135229       12.0160112642        9.1876306036
 Pt        -5.5657597989       12.8137258706       -0.1135182708
 Pt        -5.5272155573       12.8138138602        6.8545496622
 Pt        -6.9215689211       13.6100299911        4.5319099576
 Pt        -4.1572557997       12.0099032063        2.2131708901
 Pt        -4.1318801055       12.0151711378        9.1732532610
 Pt        -2.7884129710       12.8149227719       -0.1162164694
 Pt        -2.7529577291       12.8111818186        6.8378067865
 Pt        -4.1480577539       13.6167729325        4.5217976240
 Pt        -1.3818961864       12.0100295854        2.2093309232
 Pt        -1.3531578338       12.0105935504        9.1662040880
 Pt        -0.0160430435       12.8142932909       -0.1236536476
 Pt         0.0235189244       12.8117505165        6.8454378283
 Pt        -1.3723838123       13.6140310119        4.5176867800
 Pt         1.3904981520       12.0111763909        2.2048113021
 Pt         1.4239353058       12.0081782510        9.1825506305
 Pt         2.7605040081       12.8131945236       -0.1243054407
 Pt         2.7964297905       12.8107355470        6.8550854142
 Pt         1.3988136124       13.6091459592        4.5255024470
 Pt         4.1621079069       12.0082549368        2.2060144266
 Pt         4.1989896145       12.0088222881        9.1819506296
 Pt         5.5319001897       12.8136784143       -0.1196563030
 Pt         5.5724677716       12.8097111787        6.8517339988
 Pt         4.1735955957       13.6087227277        4.5354906028
 Pt         6.9385150201       12.0059132639        2.1991677633
 Pt         6.9713380138       12.0136128936        9.1768735388
 Pt         8.3085994179       12.8169674095       -0.1216858987
 Pt         8.3486571666       12.8131060985        6.8557552358
 Pt         6.9511114830       13.6057088405        4.5317401146
  O         4.7863639172        6.8716316075       11.8168650077
  H         5.6519337475        7.2459066429       11.5074733155
  H         4.8230276235        5.8774592948       11.7059895548
     183
 i =       30, E =    -21650.0107034536
 Pt         0.0010211645       -0.0037014688        2.2014207391
 Pt         0.0277459855        0.0039588163        9.1708785203
 Pt         1.3730720561        0.7978070384       -0.1285389821
 Pt         1.4047761627        0.8017030517        6.8367553864
 Pt         0.0116779695        1.5977714435        4.5178038726
 Pt         2.7770305161       -0.0005362229        2.1952915290
 Pt         2.8009163399        0.0031843507        9.1607907190
 Pt         4.1498651383        0.7981850742       -0.1393095437
 Pt         4.1796713982        0.8017922806        6.8260514103
 Pt         2.7852974946        1.6027427848        4.5102868854
 Pt         5.5502112690       -0.0001459538        2.1912597910
 Pt         5.5796939967       -0.0016544617        9.1493975847
 Pt         6.9255819010        0.7993400384       -0.1336479051
 Pt         6.9563541558        0.7996373854        6.8254964405
 Pt         5.5572653433        1.6023295740        4.5014484432
 Pt         8.3264444518       -0.0010288091        2.1947130274
 Pt         8.3577564044       -0.0027933740        9.1644626603
 Pt         9.6995850389        0.7982587412       -0.1326861983
 Pt         9.7299015074        0.7997458919        6.8362661580
 Pt         8.3339321416        1.5998870360        4.5106481386
 Pt        11.0998494247       -0.0023482242        2.2021828114
 Pt        11.1309867497       -0.0008606294        9.1689609803
 Pt        12.4723016648        0.7973098510       -0.1279567697
 Pt        12.5045678397        0.8001345998        6.8403571425
 Pt        11.1091761990        1.5992722421        4.5216367443
 Pt        13.8745298576       -0.0045446026        2.2023696140
 Pt        13.9034431597        0.0023227240        9.1650972616
 Pt        15.2465511048        0.7986248134       -0.1262308020
 Pt        15.2801422217        0.7996350620        6.8362417640
 Pt        13.8821085160        1.5978179484        4.5204447587
 Pt        -1.3886906956        2.3992026347        2.2008887934
 Pt        -1.3571469378        2.4067303153        9.1618350864
 Pt        -0.0131555169        3.2021246140       -0.1262114021
 Pt         0.0181719423        3.2040633403        6.8362285359
 Pt        -1.3782029327        4.0015510363        4.5194359337
 Pt         1.3868491438        2.4024027041        2.1973133382
 Pt         1.4176380447        2.4043354272        9.1624292529
 Pt         2.7630609413        3.2010112585       -0.1269620973
 Pt         2.7948010974        3.2039611082        6.8322552396
 Pt         1.3970286014        4.0042512275        4.5220291820
 Pt         4.1632200222        2.4032678144        2.1891339872
 Pt         4.1955970136        2.4000419434        9.1537442473
 Pt         5.5378533781        3.2033415436       -0.1346984811
 Pt         5.5717189549        3.2010066967        6.8215315114
 Pt         4.1724387936        4.0122624015        4.5175457616
 Pt         6.9395554511        2.4034939248        2.1889992921
 Pt         6.9720856800        2.3952175289        9.1534675365
 Pt         8.3111339324        3.2033781722       -0.1402550727
 Pt         8.3475124458        3.2013764435        6.8303622458
 Pt         6.9488702142        4.0044254124        4.5113114940
 Pt         9.7136114674        2.4009427776        2.1938251196
 Pt         9.7467126622        2.4000316171        9.1683665221
 Pt        11.0856920518        3.2001415306       -0.1341656631
 Pt        11.1180016725        3.2030772625        6.8374262026
 Pt         9.7230165832        4.0026204059        4.5113117560
 Pt        12.4868318076        2.3997595757        2.1977772035
 Pt        12.5182486212        2.4048350826        9.1672997864
 Pt        13.8598794610        3.2007513209       -0.1317080074
 Pt        13.8902911633        3.2029514954        6.8361584593
 Pt        12.4953038964        4.0016052120        4.5168091724
 Pt        -2.7760966327        4.8031242853        2.1992906927
 Pt        -2.7414994200        4.8085906334        9.1640105042
 Pt        -1.3991928150        5.6043681071       -0.1236025800
 Pt        -1.3670473189        5.6051078642        6.8425120316
 Pt        -2.7628228668        6.4065132804        4.5212695184
 Pt        -0.0015018616        4.8038669975        2.2061947984
 Pt         0.0347881107        4.8073547454        9.1705046170
 Pt         1.3777826155        5.6051814882       -0.1108671188
 Pt         1.4123762684        5.6044209015        6.8570834274
 Pt         0.0127210814        6.4029156586        4.5332070125
 Pt         2.7763380121        4.8062028190        2.2125622153
 Pt         2.8094085826        4.7949659525        9.1822087887
 Pt         4.1494918671        5.6045576906       -0.1140900774
 Pt         4.1882824584        5.6044893562        6.8765211348
 Pt         2.7890063218        6.4082335309        4.5551197721
 Pt         5.5520293402        4.8059008728        2.2042044483
 Pt         5.5996305961        4.7862426170        9.1668201880
 Pt         6.9212264948        5.6060749436       -0.1296716255
 Pt         6.9629741471        5.6040623925        6.8388419797
 Pt         5.5602810893        6.4091343932        4.5447830689
 Pt         8.3273419707        4.8043644667        2.1929296747
 Pt         8.3655395831        4.8004576882        9.1626296472
 Pt         9.6975265002        5.6031756093       -0.1384386976
 Pt         9.7355604069        5.6053673920        6.8288855529
 Pt         8.3371077214        6.4068679349        4.5107901225
 Pt        11.1002786982        4.8046122915        2.1927977959
 Pt        11.1355870717        4.8059662195        9.1663925469
 Pt        12.4738615655        5.6033238688       -0.1345180568
 Pt        12.5050900290        5.6074367812        6.8349891204
 Pt        11.1111371681        6.4084967638        4.5100244301
 Pt        -4.1605245182        7.2069550901        2.1956563728
 Pt        -4.1264364173        7.2112244712        9.1715553029
 Pt        -2.7877325845        8.0056839303       -0.1277049295
 Pt        -2.7527615000        8.0070528542        6.8409574766
 Pt        -4.1464100417        8.8106023383        4.5159922722
 Pt        -1.3858488112        7.2057044353        2.2083129304
 Pt        -1.3540564337        7.2118869881        9.1729292961
 Pt        -0.0121564712        8.0070333000       -0.1092092739
 Pt         0.0266864018        8.0040854060        6.8530559424
 Pt        -1.3687712752        8.8070469527        4.5259735255
 Pt         1.3909348685        7.2069036861        2.2227699371
 Pt         1.4171431551        7.2056509426        9.1986295156
 Pt         2.7640600366        8.0066811171       -0.1028313961
 Pt         2.8098133322        7.9982272928        6.9053292884
 Pt         1.4106650395        8.8008501360        4.5474953443
 Pt         4.1647407354        7.2065328281        2.2281821602
 Pt         4.2064667343        7.1968716488        9.2729997213
 Pt         5.5367165535        8.0063052394       -0.1159420893
 Pt         5.5749919638        8.0041859302        6.8807391285
 Pt         4.1744744391        8.8052907498        4.5569331822
 Pt         6.9383360359        7.2064945923        2.2041479515
 Pt         6.9983441933        7.2023976649        9.1692384081
 Pt         8.3113136099        8.0055556314       -0.1359857310
 Pt         8.3519567575        8.0100720179        6.8228170577
 Pt         6.9433226824        8.8065016896        4.5214980384
 Pt         9.7134327457        7.2074332613        2.1892178977
 Pt         9.7535310446        7.2091891913        9.1561487684
 Pt        11.0863028428        8.0045708134       -0.1403526675
 Pt        11.1230783869        8.0101452469        6.8304836559
 Pt         9.7253346980        8.8132911348        4.5055544071
 Pt        -5.5480934758        9.6089587264        2.1919033947
 Pt        -5.5154800383        9.6142181924        9.1604062568
 Pt        -4.1752500187       10.4067318508       -0.1248438972
 Pt        -4.1389868722       10.4125034838        6.8331259802
 Pt        -5.5353410222       11.2135452054        4.5166074737
 Pt        -2.7692789797        9.6085705957        2.2003709817
 Pt        -2.7428241656        9.6139472718        9.1625935493
 Pt        -1.4005217844       10.4100347019       -0.1286746208
 Pt        -1.3617260679       10.4086417800        6.8377599220
 Pt        -2.7579281797       11.2116613367        4.5167484236
 Pt         0.0039525262        9.6086872049        2.2096484883
 Pt         0.0336859692        9.6115998146        9.1738907502
 Pt         1.3767908985       10.4089614251       -0.1132219761
 Pt         1.4133338121       10.4072629969        6.8498694381
 Pt         0.0175701448       11.2067586061        4.5218484611
 Pt         2.7785474818        9.6075619075        2.2225190680
 Pt         2.8108693955        9.6151732276        9.1932501757
 Pt         4.1500487684       10.4054405814       -0.1181336501
 Pt         4.1862390719       10.4076945701        6.8570799068
 Pt         2.7890634153       11.2096845191        4.5303925451
 Pt         5.5499987831        9.6072153071        2.2107889053
 Pt         5.5927151302        9.6137157552        9.1814536510
 Pt         6.9240136658       10.4093226016       -0.1292605514
 Pt         6.9597755151       10.4112065330        6.8367840345
 Pt         5.5595905202       11.2094850086        4.5233779158
 Pt         8.3249933023        9.6082503254        2.1906303037
 Pt         8.3616899008        9.6102801920        9.1592401282
 Pt         9.6985312964       10.4083873728       -0.1393526911
 Pt         9.7338919960       10.4134504999        6.8330362879
 Pt         8.3358828905       11.2096095069        4.5144574756
 Pt        -6.9347431624       12.0093452553        2.1967550224
 Pt        -6.9086799219       12.0179397737        9.1666909554
 Pt        -5.5629728884       12.8123883940       -0.1222269491
 Pt        -5.5298268217       12.8161739476        6.8368747925
 Pt        -6.9241611835       13.6138575778        4.5195212328
 Pt        -4.1586450118       12.0114926359        2.2020640015
 Pt        -4.1335077819       12.0171997971        9.1579677022
 Pt        -2.7859157805       12.8133526908       -0.1239464675
 Pt        -2.7551000465       12.8143948663        6.8287419019
 Pt        -4.1500023170       13.6168014403        4.5131397068
 Pt        -1.3830834408       12.0108354460        2.2001422982
 Pt        -1.3563016484       12.0144096737        9.1561106320
 Pt        -0.0128720229       12.8126942426       -0.1274642733
 Pt         0.0211767190       12.8149143862        6.8350439740
 Pt        -1.3746975745       13.6147272575        4.5128365531
 Pt         1.3905079911       12.0122287345        2.2027744561
 Pt         1.4197635848       12.0128783022        9.1674134841
 Pt         2.7628651337       12.8112874951       -0.1267236434
 Pt         2.7952101710       12.8141624458        6.8417095091
 Pt         1.3980066155       13.6127100814        4.5178511480
 Pt         4.1628254759       12.0106375754        2.2037904139
 Pt         4.1956424813       12.0131323326        9.1700226404
 Pt         5.5351378260       12.8117235966       -0.1254540242
 Pt         5.5696805945       12.8142797625        6.8387625997
 Pt         4.1726363578       13.6128220228        4.5221001338
 Pt         6.9375751368       12.0090413895        2.1979782050
 Pt         6.9686639431       12.0165359911        9.1644803938
 Pt         8.3112353667       12.8140686477       -0.1275673378
 Pt         8.3447170278       12.8162645375        6.8392112682
 Pt         6.9492416995       13.6108283667        4.5187469831
  O         4.8702920386        6.8823231254       11.8645579771
  H         5.7585943315        7.1724392222       11.5778167003
  H         4.8913579076        5.9024697840       11.8460630162
     183
 i =       31, E =    -21650.0108209268
 Pt         0.0006920839       -0.0033059606        2.1997243703
 Pt         0.0280302762        0.0035192259        9.1671358159
 Pt         1.3737199601        0.7972906990       -0.1274311472
 Pt         1.4046280467        0.8016035258        6.8343967488
 Pt         0.0113482381        1.5987694377        4.5159002112
 Pt         2.7769244097       -0.0007447602        2.1958043719
 Pt         2.8019602397        0.0028687334        9.1580155568
 Pt         4.1502102764        0.7974022226       -0.1385228434
 Pt         4.1798444743        0.8018238649        6.8254715460
 Pt         2.7852332371        1.6029306059        4.5106609941
 Pt         5.5502794481       -0.0005663250        2.1915725342
 Pt         5.5795299688       -0.0010292584        9.1495765860
 Pt         6.9257140183        0.7984042340       -0.1334628806
 Pt         6.9561191890        0.8002062926        6.8254188590
 Pt         5.5572988230        1.6019034827        4.5035188812
 Pt         8.3263275286       -0.0013762615        2.1956899105
 Pt         8.3567055524       -0.0021418982        9.1625529838
 Pt         9.6996788711        0.7980530835       -0.1308096079
 Pt         9.7296052997        0.8002821184        6.8337301366
 Pt         8.3337101417        1.6001445465        4.5108598339
 Pt        11.0999963029       -0.0020742988        2.2012736942
 Pt        11.1307297313       -0.0003634578        9.1653346203
 Pt        12.4727384615        0.7972226968       -0.1292845594
 Pt        12.5046463642        0.8007635862        6.8366790084
 Pt        11.1095178292        1.5999441560        4.5188873753
 Pt        13.8745278296       -0.0038561944        2.2007294376
 Pt        13.9032415369        0.0024474590        9.1624044162
 Pt        15.2468930743        0.7982042149       -0.1278257431
 Pt        15.2797977623        0.8001936506        6.8334995603
 Pt        13.8823237067        1.5987419691        4.5171789641
 Pt        -1.3882653131        2.3995033236        2.1986570393
 Pt        -1.3576979424        2.4063634236        9.1602437329
 Pt        -0.0125625639        3.2019481462       -0.1262963696
 Pt         0.0178992112        3.2040730379        6.8349597933
 Pt        -1.3783173998        4.0020044356        4.5176098443
 Pt         1.3870837649        2.4024987292        2.1984663043
 Pt         1.4176451761        2.4042112436        9.1602033410
 Pt         2.7624748807        3.2006025337       -0.1249902493
 Pt         2.7947448336        3.2041747952        6.8320810275
 Pt         1.3969510739        4.0050351579        4.5225947595
 Pt         4.1631675700        2.4026638288        2.1913413445
 Pt         4.1956927700        2.4007936915        9.1538402197
 Pt         5.5381185365        3.2024317023       -0.1310542598
 Pt         5.5710825883        3.2022085811        6.8226711152
 Pt         4.1721999352        4.0116977287        4.5193459456
 Pt         6.9393643543        2.4028308638        2.1912379957
 Pt         6.9718762124        2.3964133137        9.1535125404
 Pt         8.3117129809        3.2027165304       -0.1366652134
 Pt         8.3463024770        3.2025121023        6.8293835976
 Pt         6.9484739728        4.0044802411        4.5125695916
 Pt         9.7133779671        2.4010966885        2.1955290823
 Pt         9.7462757521        2.4005528311        9.1650595146
 Pt        11.0860529952        3.2002137829       -0.1336461773
 Pt        11.1178971281        3.2033347476        6.8351288846
 Pt         9.7229366971        4.0033562381        4.5121743380
 Pt        12.4868172000        2.3999661723        2.1963016435
 Pt        12.5179633503        2.4047269855        9.1650009719
 Pt        13.8605843234        3.2007016391       -0.1326300606
 Pt        13.8905445576        3.2031129863        6.8339935676
 Pt        12.4957479646        4.0021512237        4.5156922769
 Pt        -2.7757178586        4.8030639166        2.1983815041
 Pt        -2.7420825345        4.8084995400        9.1626820896
 Pt        -1.3986626665        5.6040779488       -0.1237110132
 Pt        -1.3677091620        5.6052692999        6.8401467642
 Pt        -2.7629856212        6.4065578141        4.5190248264
 Pt        -0.0009419141        4.8038542603        2.2064782621
 Pt         0.0341188218        4.8072419999        9.1692795422
 Pt         1.3780715325        5.6053822035       -0.1108722649
 Pt         1.4122324534        5.6049504624        6.8560619600
 Pt         0.0126617282        6.4033956843        4.5329016846
 Pt         2.7761663414        4.8060419443        2.2137908451
 Pt         2.8089477646        4.7964318881        9.1799924523
 Pt         4.1496601661        5.6042379207       -0.1107307200
 Pt         4.1878971202        5.6054125865        6.8754687322
 Pt         2.7886599551        6.4083285877        4.5547404885
 Pt         5.5517767293        4.8055218718        2.2062221153
 Pt         5.5989680415        4.7874242769        9.1661415623
 Pt         6.9217673120        5.6056378212       -0.1265570904
 Pt         6.9617130765        5.6052388407        6.8385251016
 Pt         5.5599523595        6.4087521365        4.5447278831
 Pt         8.3272834796        4.8041989772        2.1950347439
 Pt         8.3650950620        4.8013906334        9.1617829452
 Pt         9.6978769023        5.6027051212       -0.1363987988
 Pt         9.7344194144        5.6060632907        6.8285697303
 Pt         8.3365432596        6.4072891667        4.5127065218
 Pt        11.1001443881        4.8043525180        2.1941880808
 Pt        11.1351650999        4.8061094812        9.1635658004
 Pt        12.4739371624        5.6030465709       -0.1334997279
 Pt        12.5050738242        5.6075470235        6.8327222006
 Pt        11.1108531164        6.4087808539        4.5102951388
 Pt        -4.1604613026        7.2066644108        2.1959812493
 Pt        -4.1269292217        7.2111093050        9.1676898550
 Pt        -2.7872568176        8.0058915815       -0.1265493636
 Pt        -2.7535904194        8.0078152179        6.8380345092
 Pt        -4.1467873368        8.8104896105        4.5155169162
 Pt        -1.3855729225        7.2055762504        2.2085234846
 Pt        -1.3541478292        7.2118297558        9.1694239027
 Pt        -0.0118466602        8.0066963868       -0.1096092925
 Pt         0.0267659350        8.0048089126        6.8506845481
 Pt        -1.3690873821        8.8074206419        4.5236669202
 Pt         1.3904797801        7.2066271276        2.2236552118
 Pt         1.4174226872        7.2060639165        9.1957779635
 Pt         2.7636748469        8.0065878797       -0.1016600996
 Pt         2.8102777570        7.9993403066        6.9024566615
 Pt         1.4099405027        8.8017953445        4.5459056404
 Pt         4.1642280245        7.2067449069        2.2295999508
 Pt         4.2073263436        7.1974573949        9.2702579637
 Pt         5.5370327895        8.0063825410       -0.1121862221
 Pt         5.5744151412        8.0045018267        6.8787605026
 Pt         4.1738616878        8.8055924051        4.5555646514
 Pt         6.9381398478        7.2065080071        2.2062213645
 Pt         6.9961165415        7.2029411987        9.1694452590
 Pt         8.3115684427        8.0052484012       -0.1318506273
 Pt         8.3492907357        8.0102589628        6.8236905077
 Pt         6.9430972950        8.8068720011        4.5218202091
 Pt         9.7133432861        7.2070049103        2.1912204719
 Pt         9.7520523976        7.2096529502        9.1555847969
 Pt        11.0867906565        8.0048982793       -0.1372147248
 Pt        11.1216192395        8.0101969984        6.8290285693
 Pt         9.7248214291        8.8135159708        4.5056176167
 Pt        -5.5478633390        9.6093963421        2.1925249349
 Pt        -5.5162411098        9.6142466244        9.1576143266
 Pt        -4.1748362614       10.4069052573       -0.1254159955
 Pt        -4.1398930908       10.4127820180        6.8310496125
 Pt        -5.5356854268       11.2135217507        4.5147214806
 Pt        -2.7694571642        9.6088952559        2.1998131481
 Pt        -2.7431965146        9.6141766258        9.1605385209
 Pt        -1.4002518176       10.4096596019       -0.1298243168
 Pt        -1.3628392103       10.4092435273        6.8359334080
 Pt        -2.7587660785       11.2115496732        4.5154747870
 Pt         0.0034538904        9.6089026841        2.2097242136
 Pt         0.0340115274        9.6119961513        9.1714754195
 Pt         1.3761435986       10.4089459831       -0.1124260618
 Pt         1.4134402720       10.4076276672        6.8478562643
 Pt         0.0164464456       11.2074634576        4.5207787528
 Pt         2.7778267666        9.6079671402        2.2224195401
 Pt         2.8103887563        9.6152598253        9.1918546395
 Pt         4.1502264928       10.4054116911       -0.1157122597
 Pt         4.1865486303       10.4076898975        6.8559222168
 Pt         2.7888935938       11.2103352438        4.5301485846
 Pt         5.5498367204        9.6075507523        2.2124804752
 Pt         5.5918946398        9.6138328438        9.1803832386
 Pt         6.9243869503       10.4095236542       -0.1264052626
 Pt         6.9589314758       10.4113206801        6.8355187738
 Pt         5.5593912973       11.2098804533        4.5236904026
 Pt         8.3253252506        9.6088266351        2.1920033051
 Pt         8.3607055688        9.6103917738        9.1587064052
 Pt         9.6993946096       10.4086590074       -0.1388144434
 Pt         9.7327513809       10.4134792359        6.8306290217
 Pt         8.3355613824       11.2103115148        4.5136832564
 Pt        -6.9348710161       12.0099198112        2.1967521684
 Pt        -6.9083923738       12.0176102067        9.1622166390
 Pt        -5.5626264909       12.8123167302       -0.1230137786
 Pt        -5.5300094382       12.8161452552        6.8334816631
 Pt        -6.9246980367       13.6144948025        4.5177875261
 Pt        -4.1587011017       12.0117254388        2.2001151939
 Pt        -4.1333227878       12.0171424507        9.1555082557
 Pt        -2.7856881328       12.8130226583       -0.1255965948
 Pt        -2.7551895592       12.8147257695        6.8273605815
 Pt        -4.1502580093       13.6163210707        4.5120908000
 Pt        -1.3834218664       12.0107800648        2.1984889952
 Pt        -1.3566992141       12.0150020495        9.1551515298
 Pt        -0.0124776105       12.8124538941       -0.1274031987
 Pt         0.0206254986       12.8151066781        6.8333363543
 Pt        -1.3750124453       13.6145304051        4.5124945519
 Pt         1.3902840579       12.0122905528        2.2044089959
 Pt         1.4191692803       12.0136039973        9.1644546481
 Pt         2.7629009346       12.8110613158       -0.1251004299
 Pt         2.7951194393       12.8145481449        6.8394612192
 Pt         1.3980563939       13.6133346711        4.5174220477
 Pt         4.1629851463       12.0111607635        2.2052391086
 Pt         4.1957000109       12.0134628281        9.1681332515
 Pt         5.5354711475       12.8114805231       -0.1257977601
 Pt         5.5692428719       12.8148102646        6.8370176952
 Pt         4.1728829840       13.6134661831        4.5197169361
 Pt         6.9373349375       12.0096416230        2.1990888095
 Pt         6.9685961748       12.0163631481        9.1622798448
 Pt         8.3116304378       12.8136501514       -0.1271601972
 Pt         8.3438370782       12.8165134668        6.8361846284
 Pt         6.9489020317       13.6117548708        4.5170198820
  O         4.8775849240        6.8846772187       11.8720179369
  H         5.7719034148        7.1619329821       11.5862168632
  H         4.9018109377        5.9077817985       11.8580382669
     183
 i =       32, E =    -21650.0110171277
 Pt         0.0006581120       -0.0032872204        2.2005998720
 Pt         0.0295870242        0.0019227145        9.1664211879
 Pt         1.3733184822        0.7974111760       -0.1253063842
 Pt         1.4054803465        0.8004101912        6.8341574908
 Pt         0.0117037901        1.5987237287        4.5168655451
 Pt         2.7769166510       -0.0012145200        2.1972052541
 Pt         2.8038597976        0.0014616405        9.1574629393
 Pt         4.1496462574        0.7973865107       -0.1372651518
 Pt         4.1809087044        0.8007025644        6.8258655774
 Pt         2.7857078869        1.6022793308        4.5114771641
 Pt         5.5503161908       -0.0010846492        2.1930992091
 Pt         5.5806817176       -0.0018058059        9.1512358332
 Pt         6.9251621478        0.7982058340       -0.1326809591
 Pt         6.9567582822        0.7994461795        6.8258803552
 Pt         5.5577208008        1.6008042420        4.5049059883
 Pt         8.3261247300       -0.0020200739        2.1973398567
 Pt         8.3573633379       -0.0027438108        9.1625011951
 Pt         9.6991470923        0.7983729933       -0.1287229380
 Pt         9.7299507960        0.7996441154        6.8330745564
 Pt         8.3339426817        1.5996147121        4.5112177548
 Pt        11.0998802252       -0.0022064010        2.2023909764
 Pt        11.1318417592       -0.0010991165        9.1650685638
 Pt        12.4724112837        0.7976331189       -0.1272690635
 Pt        12.5051192777        0.8002222885        6.8371041892
 Pt        11.1100488451        1.5996994005        4.5188790990
 Pt        13.8744333593       -0.0035286837        2.2025544951
 Pt        13.9043713731        0.0011752825        9.1634946151
 Pt        15.2462496946        0.7983783588       -0.1254332271
 Pt        15.2803101371        0.7995714911        6.8345077567
 Pt        13.8829168091        1.5987233398        4.5185417655
 Pt        -1.3878232846        2.3996947123        2.2007662148
 Pt        -1.3567963274        2.4046892824        9.1617702986
 Pt        -0.0130308147        3.2024559739       -0.1239554514
 Pt         0.0186056958        3.2033312027        6.8362961043
 Pt        -1.3779199323        4.0017665101        4.5193577945
 Pt         1.3873502814        2.4023662896        2.2003087083
 Pt         1.4189119561        2.4027299739        9.1598820529
 Pt         2.7609931443        3.2007503866       -0.1233340197
 Pt         2.7956716441        3.2030721476        6.8324129753
 Pt         1.3974353536        4.0047154872        4.5245429147
 Pt         4.1629840240        2.4021945529        2.1927052470
 Pt         4.1971875221        2.4000464090        9.1541373673
 Pt         5.5374655305        3.2022399128       -0.1287906554
 Pt         5.5715238604        3.2014633769        6.8224257575
 Pt         4.1726071567        4.0105910149        4.5200150260
 Pt         6.9392136324        2.4022244099        2.1924522239
 Pt         6.9732700527        2.3961337074        9.1533022330
 Pt         8.3115352106        3.2027959432       -0.1345455781
 Pt         8.3462541354        3.2022089382        6.8285270773
 Pt         6.9488716335        4.0038209113        4.5122562481
 Pt         9.7130749895        2.4009261314        2.1972586308
 Pt         9.7472237572        2.3997208482        9.1634333133
 Pt        11.0857534824        3.2008390898       -0.1317606065
 Pt        11.1183711706        3.2026660423        6.8351211925
 Pt         9.7233043454        4.0033084303        4.5131231386
 Pt        12.4866423398        2.3999941202        2.1983144052
 Pt        12.5189931438        2.4033355538        9.1661355096
 Pt        13.8603389207        3.2013150956       -0.1290101977
 Pt        13.8913060885        3.2025229335        6.8354706926
 Pt        12.4963203943        4.0018664926        4.5173913915
 Pt        -2.7754705675        4.8032844648        2.2005804617
 Pt        -2.7411646578        4.8070728004        9.1641671150
 Pt        -1.3989959146        5.6046655823       -0.1210234054
 Pt        -1.3672087159        5.6048527894        6.8412522483
 Pt        -2.7626203656        6.4061829410        4.5195776445
 Pt        -0.0006738200        4.8038542803        2.2092719663
 Pt         0.0345898040        4.8056995263        9.1707124790
 Pt         1.3772946429        5.6059970234       -0.1095079833
 Pt         1.4131221842        5.6046335750        6.8576461458
 Pt         0.0132973810        6.4030671214        4.5357347888
 Pt         2.7758275912        4.8056088677        2.2152230187
 Pt         2.8093657795        4.7959046466        9.1790350104
 Pt         4.1487802049        5.6043373191       -0.1083958558
 Pt         4.1885898693        5.6048020270        6.8745093088
 Pt         2.7892413747        6.4075896168        4.5559348276
 Pt         5.5517381969        4.8052272972        2.2066144306
 Pt         5.5999585752        4.7868631432        9.1639850131
 Pt         6.9212601613        5.6057669179       -0.1261586998
 Pt         6.9617326158        5.6048835042        6.8370588829
 Pt         5.5603830011        6.4077224171        4.5436430481
 Pt         8.3272322387        4.8041600265        2.1956177630
 Pt         8.3663883851        4.8009370933        9.1608477182
 Pt         9.6975006746        5.6029584178       -0.1352342421
 Pt         9.7343129942        5.6057487587        6.8289107953
 Pt         8.3367651599        6.4070145062        4.5134976416
 Pt        11.1001087256        4.8041588318        2.1962504783
 Pt        11.1363071131        4.8049844571        9.1627574517
 Pt        12.4733207678        5.6035129427       -0.1310383906
 Pt        12.5056278607        5.6070922154        6.8328400461
 Pt        11.1109084194        6.4085758948        4.5114990068
 Pt        -4.1602523390        7.2066947135        2.1975319038
 Pt        -4.1259967602        7.2096633962        9.1669523705
 Pt        -2.7876250186        8.0067541037       -0.1242250981
 Pt        -2.7532715379        8.0075989062        6.8382327120
 Pt        -4.1467398498        8.8097979336        4.5169487845
 Pt        -1.3854095065        7.2055846415        2.2110639449
 Pt        -1.3533482662        7.2105142920        9.1695342477
 Pt        -0.0124656484        8.0068976027       -0.1075113905
 Pt         0.0276438353        8.0046795401        6.8519237101
 Pt        -1.3686089541        8.8070371438        4.5249394670
 Pt         1.3900066253        7.2061342503        2.2267627049
 Pt         1.4175798455        7.2052623162        9.1967158464
 Pt         2.7624122285        8.0068599017       -0.0991810640
 Pt         2.8116646348        7.9992706022        6.9028203947
 Pt         1.4105894466        8.8016564362        4.5475345313
 Pt         4.1637426097        7.2066586605        2.2308231649
 Pt         4.2076543598        7.1975633442        9.2683028416
 Pt         5.5364851731        8.0068304137       -0.1095227816
 Pt         5.5750253785        8.0037715559        6.8770648740
 Pt         4.1741583975        8.8052159328        4.5558844517
 Pt         6.9381566960        7.2062852656        2.2068750879
 Pt         6.9957854791        7.2021048757        9.1683040442
 Pt         8.3111593422        8.0054087542       -0.1287264492
 Pt         8.3486850964        8.0094722941        6.8243844833
 Pt         6.9435043199        8.8065338480        4.5219370450
 Pt         9.7134678678        7.2065854525        2.1928639532
 Pt         9.7523414791        7.2087441647        9.1562786615
 Pt        11.0865428706        8.0057335844       -0.1341365002
 Pt        11.1212287492        8.0093802136        6.8297237142
 Pt         9.7246446432        8.8130781748        4.5068208496
 Pt        -5.5476872454        9.6094511497        2.1943737679
 Pt        -5.5152850638        9.6128642691        9.1580076315
 Pt        -4.1752145665       10.4076067353       -0.1242066637
 Pt        -4.1397156628       10.4118209989        6.8321424398
 Pt        -5.5357087724       11.2126697713        4.5152851016
 Pt        -2.7695182131        9.6090303102        2.2014252023
 Pt        -2.7421275070        9.6128761480        9.1623302962
 Pt        -1.4007408557       10.4099641759       -0.1288053669
 Pt        -1.3627492067       10.4084766609        6.8376349670
 Pt        -2.7588529164       11.2105896818        4.5170118156
 Pt         0.0031193195        9.6087694409        2.2127244932
 Pt         0.0350776561        9.6112522695        9.1730745225
 Pt         1.3749231530       10.4093924221       -0.1088144076
 Pt         1.4141613961       10.4068978960        6.8491511261
 Pt         0.0164569317       11.2071096319        4.5227074008
 Pt         2.7773236170        9.6079814486        2.2247537251
 Pt         2.8105311495        9.6149106521        9.1932197178
 Pt         4.1494811377       10.4058489209       -0.1118773929
 Pt         4.1873790788       10.4068433963        6.8572478135
 Pt         2.7895153900       11.2100968910        4.5327806183
 Pt         5.5497624597        9.6076503771        2.2147435782
 Pt         5.5924731663        9.6131027267        9.1799484632
 Pt         6.9238761965       10.4101559967       -0.1231040055
 Pt         6.9593850756       10.4104856250        6.8358646784
 Pt         5.5598719743       11.2097941210        4.5259210355
 Pt         8.3256643207        9.6089397501        2.1939089673
 Pt         8.3615113832        9.6091495680        9.1593177574
 Pt         9.6993812393       10.4093915775       -0.1373760781
 Pt         9.7328756154       10.4123991293        6.8307046495
 Pt         8.3357942138       11.2101773600        4.5146833602
 Pt        -6.9349835854       12.0099933604        2.1981910275
 Pt        -6.9069454647       12.0162028370        9.1607225015
 Pt        -5.5631368672       12.8127890716       -0.1218975474
 Pt        -5.5291108953       12.8150120224        6.8328491549
 Pt        -6.9246089130       13.6142764533        4.5181352907
 Pt        -4.1587159225       12.0115485277        2.2006712090
 Pt        -4.1320054335       12.0157577563        9.1565100750
 Pt        -2.7861358716       12.8133410080       -0.1247700790
 Pt        -2.7544482122       12.8137870148        6.8285389959
 Pt        -4.1500681503       13.6152241269        4.5128522418
 Pt        -1.3835964341       12.0104618790        2.1994974265
 Pt        -1.3558131073       12.0141878770        9.1573612168
 Pt        -0.0128244724       12.8128064293       -0.1257128062
 Pt         0.0208861044       12.8141580929        6.8340858842
 Pt        -1.3748897033       13.6136429249        4.5136859334
 Pt         1.3901740879       12.0121346023        2.2081825480
 Pt         1.4198786059       12.0133126200        9.1649297045
 Pt         2.7621863495       12.8112682301       -0.1217942133
 Pt         2.7956446504       12.8137874534        6.8404597248
 Pt         1.3985753939       13.6131208593        4.5187580168
 Pt         4.1630119316       12.0114227735        2.2088106277
 Pt         4.1969122264       12.0126359111        9.1697486173
 Pt         5.5347998248       12.8117397792       -0.1232156069
 Pt         5.5695255202       12.8141238173        6.8387044708
 Pt         4.1734749611       13.6133731363        4.5209875097
 Pt         6.9371636097       12.0100921315        2.2017800494
 Pt         6.9699750323       12.0149099267        9.1630700234
 Pt         8.3110349054       12.8138019904       -0.1250141097
 Pt         8.3441537297       12.8156297435        6.8362322982
 Pt         6.9491959939       13.6119094542        4.5186821540
  O         4.8594718078        6.8886658694       11.8608262529
  H         5.7546529880        7.1661081977       11.5757784388
  H         4.8900383458        5.9135668416       11.8249263777
     183
 i =       33, E =    -21650.0117231779
 Pt         0.0004784216       -0.0037137842        2.2094495903
 Pt         0.0413279213       -0.0084990434        9.1651084232
 Pt         1.3691357381        0.7981403657       -0.1125056548
 Pt         1.4125697301        0.7931501570        6.8344073477
 Pt         0.0149561647        1.5974635299        4.5235615555
 Pt         2.7774672019       -0.0037572068        2.2051097294
 Pt         2.8173378521       -0.0074267566        9.1548608917
 Pt         4.1449897518        0.7976612193       -0.1304717730
 Pt         4.1890383489        0.7938565887        6.8278966394
 Pt         2.7893490866        1.5981596892        4.5157779274
 Pt         5.5503739551       -0.0037598703        2.2006758788
 Pt         5.5907772376       -0.0074875782        9.1596750346
 Pt         6.9201651629        0.7974990319       -0.1291167919
 Pt         6.9620995597        0.7944839841        6.8279052701
 Pt         5.5606873317        1.5946390446        4.5101077738
 Pt         8.3246797418       -0.0055406857        2.2062495832
 Pt         8.3647228317       -0.0078707719        9.1630515635
 Pt         9.6941912230        0.8003392201       -0.1169743947
 Pt         9.7338759983        0.7949874035        6.8308572996
 Pt         8.3363836830        1.5959852501        4.5126304941
 Pt        11.0991263313       -0.0031431504        2.2130687422
 Pt        11.1411879508       -0.0072858417        9.1657077564
 Pt        12.4684788472        0.8005055994       -0.1144740341
 Pt        12.5099283879        0.7962176935        6.8425646435
 Pt        11.1142689361        1.5977698188        4.5214129929
 Pt        13.8741471105       -0.0024358612        2.2161004845
 Pt        13.9142062338       -0.0074997087        9.1726837689
 Pt        15.2404362402        0.7999636606       -0.1106988414
 Pt        15.2852838547        0.7949672330        6.8419347734
 Pt        13.8870961449        1.5971707224        4.5283380271
 Pt        -1.3861516728        2.4003668216        2.2144492002
 Pt        -1.3476824930        2.3945081414        9.1725436951
 Pt        -0.0178445233        3.2057088780       -0.1092570932
 Pt         0.0247458870        3.1985793389        6.8446573773
 Pt        -1.3740596475        3.9993239169        4.5312742810
 Pt         1.3886165868        2.4012463946        2.2114990983
 Pt         1.4299165421        2.3932356728        9.1581879000
 Pt         2.7524423724        3.2021551154       -0.1130528833
 Pt         2.8030451969        3.1968014993        6.8338877804
 Pt         1.4013645447        4.0024136033        4.5360594065
 Pt         4.1629943790        2.3993151002        2.1979431255
 Pt         4.2100064690        2.3940080541        9.1535929148
 Pt         5.5319400163        3.2016937065       -0.1198506483
 Pt         5.5767062859        3.1960475082        6.8188462753
 Pt         4.1761346984        4.0043554267        4.5217151671
 Pt         6.9379003074        2.3983784383        2.1967803176
 Pt         6.9854583035        2.3925907580        9.1506220491
 Pt         8.3080785221        3.2036721229       -0.1249720001
 Pt         8.3489000373        3.1995835060        6.8234603225
 Pt         6.9523941150        3.9994922397        4.5080080713
 Pt         9.7117753287        2.3998130183        2.2058306806
 Pt         9.7566483168        2.3934283809        9.1550587483
 Pt        11.0825695956        3.2047598295       -0.1211589545
 Pt        11.1234291193        3.1981002645        6.8358425269
 Pt         9.7266511130        4.0020894559        4.5168650181
 Pt        12.4858913760        2.4001132780        2.2098707804
 Pt        12.5283715822        2.3944472362        9.1744258904
 Pt        13.8565608048        3.2052437976       -0.1099854790
 Pt        13.8973662292        3.1984497244        6.8456051925
 Pt        12.5001499074        3.9991241893        4.5278332867
 Pt        -2.7749814727        4.8037761331        2.2152016148
 Pt        -2.7320770471        4.7981958501        9.1743335923
 Pt        -1.4026008248        5.6086522179       -0.1026811584
 Pt        -1.3614315906        5.6014303921        6.8502495503
 Pt        -2.7591625777        6.4029460910        4.5257509744
 Pt         0.0006557236        4.8035749140        2.2264500241
 Pt         0.0418153723        4.7960636415        9.1807627734
 Pt         1.3714314551        5.6102118174       -0.0984246148
 Pt         1.4202583411        5.6016165097        6.8688893198
 Pt         0.0184755965        6.3998158090        4.5543903358
 Pt         2.7744397772        4.8037030724        2.2247022448
 Pt         2.8157991896        4.7888246159        9.1763152705
 Pt         4.1425161658        5.6056926633       -0.0966834598
 Pt         4.1951291414        5.6000146004        6.8735695504
 Pt         2.7945826841        6.4031111933        4.5660743656
 Pt         5.5515121721        4.8035553112        2.2084219116
 Pt         5.6104297020        4.7807711551        9.1558491967
 Pt         6.9159456815        5.6072596457       -0.1245928010
 Pt         6.9651751618        5.6019136503        6.8312823511
 Pt         5.5636088279        6.4022204265        4.5409704651
 Pt         8.3270772716        4.8039048549        2.1980124287
 Pt         8.3772488854        4.7962524174        9.1559184337
 Pt         9.6938075600        5.6052141869       -0.1301044461
 Pt         9.7369497194        5.6026106520        6.8305098338
 Pt         8.3398410588        6.4049969466        4.5159484063
 Pt        11.1001453629        4.8033825759        2.2064703770
 Pt        11.1469852022        4.7973583406        9.1595343959
 Pt        12.4683846589        5.6063446509       -0.1172544987
 Pt        12.5109601196        5.6034625573        6.8348514841
 Pt        11.1126745008        6.4068925973        4.5176516712
 Pt        -4.1590286535        7.2064932228        2.2072987917
 Pt        -4.1176054589        7.2007928016        9.1654224698
 Pt        -2.7917313300        8.0117358212       -0.1097291058
 Pt        -2.7488345651        8.0048369474        6.8420922963
 Pt        -4.1450070017        8.8051203831        4.5258506354
 Pt        -1.3845599344        7.2054693182        2.2281708153
 Pt        -1.3449414311        7.2024529766        9.1734079123
 Pt        -0.0173185732        8.0089011425       -0.0922623780
 Pt         0.0364817690        8.0023490700        6.8626400405
 Pt        -1.3638319291        8.8032406845        4.5363613291
 Pt         1.3880758293        7.2035435713        2.2470004044
 Pt         1.4222043223        7.1990265658        9.2054522953
 Pt         2.7536991058        8.0089085728       -0.0827586896
 Pt         2.8219081510        7.9963244194        6.9128320128
 Pt         1.4169680346        8.7989978558        4.5611288457
 Pt         4.1613409462        7.2057023005        2.2394822844
 Pt         4.2112900662        7.1956501326        9.2707205421
 Pt         5.5318623594        8.0095115190       -0.0946947086
 Pt         5.5812388173        7.9984002662        6.8758759911
 Pt         4.1782225712        8.8012079781        4.5632249774
 Pt         6.9385096581        7.2047775124        2.2112748288
 Pt         6.9989924106        7.1946110426        9.1700646515
 Pt         8.3066679892        8.0069478802       -0.1144743073
 Pt         8.3496464500        8.0044650236        6.8285407276
 Pt         6.9466359058        8.8035998732        4.5238627406
 Pt         9.7146331401        7.2045915637        2.2004072804
 Pt         9.7580797874        7.2018880910        9.1599208390
 Pt        11.0832880787        8.0107819379       -0.1186140900
 Pt        11.1211621812        8.0042428164        6.8337411991
 Pt         9.7250189692        8.8100666098        4.5128631431
 Pt        -5.5469802280        9.6093506913        2.2041764697
 Pt        -5.5063574269        9.6038797964        9.1611769942
 Pt        -4.1790814558       10.4116313532       -0.1162961612
 Pt        -4.1365130174       10.4054540932        6.8398655969
 Pt        -5.5341365770       11.2074983604        4.5193642456
 Pt        -2.7693466931        9.6092903875        2.2131970673
 Pt        -2.7324195569        9.6048823169        9.1742208016
 Pt        -1.4055006952       10.4122745016       -0.1212517506
 Pt        -1.3587600165       10.4029984361        6.8494766538
 Pt        -2.7571850434       11.2043455501        4.5263379875
 Pt         0.0016210026        9.6076170385        2.2314455945
 Pt         0.0446940061        9.6059549892        9.1843872761
 Pt         1.3669608958       10.4120197546       -0.0883809414
 Pt         1.4214764119       10.4007272821        6.8601027361
 Pt         0.0188505983       11.2037149965        4.5362348380
 Pt         2.7749469992        9.6072990822        2.2418818915
 Pt         2.8154487938        9.6117627061        9.2052347225
 Pt         4.1437796102       10.4084834834       -0.0894768772
 Pt         4.1947379912       10.4004225425        6.8682599731
 Pt         2.7946782432       11.2073858957        4.5515303708
 Pt         5.5495309669        9.6075579049        2.2299564814
 Pt         5.5994802634        9.6070659306        9.1831867872
 Pt         6.9195548104       10.4133999529       -0.1037858227
 Pt         6.9643267784       10.4043366738        6.8406612330
 Pt         5.5640144849       11.2079258330        4.5403815152
 Pt         8.3277751308        9.6090791426        2.2024911073
 Pt         8.3693881716        9.6001387857        9.1638653851
 Pt         9.6972665031       10.4135549894       -0.1295161169
 Pt         9.7353895791       10.4045032373        6.8323942241
 Pt         8.3385175098       11.2081250075        4.5209999826
 Pt        -6.9351741543       12.0092148693        2.2067972227
 Pt        -6.8956067219       12.0065089865        9.1543780937
 Pt        -5.5673929355       12.8155931036       -0.1135207105
 Pt        -5.5219010377       12.8073851797        6.8313157195
 Pt        -6.9231878505       13.6122584107        4.5224257768
 Pt        -4.1582608067       12.0102525964        2.2064372538
 Pt        -4.1214044331       12.0069222163        9.1638987795
 Pt        -2.7901921989       12.8158219352       -0.1197963905
 Pt        -2.7483267735       12.8074942556        6.8363155940
 Pt        -4.1477771708       13.6089649739        4.5171272615
 Pt        -1.3842421042       12.0081468724        2.2074508674
 Pt        -1.3473094666       12.0084064619        9.1710270990
 Pt        -0.0170773246       12.8151464703       -0.1146048845
 Pt         0.0248612510       12.8078504735        6.8400846491
 Pt        -1.3728045075       13.6080288473        4.5201796618
 Pt         1.3894564490       12.0104870674        2.2298974900
 Pt         1.4276381067       12.0094538133        9.1694607770
 Pt         2.7564314077       12.8123989101       -0.1002057111
 Pt         2.8014864145       12.8079616301        6.8490198396
 Pt         1.4030841704       13.6110357229        4.5282787856
 Pt         4.1632201182       12.0115815037        2.2296195361
 Pt         4.2078921665       12.0059206634        9.1813575120
 Pt         5.5291842006       12.8131440216       -0.1061163376
 Pt         5.5737811615       12.8089142647        6.8499392869
 Pt         4.1780763115       13.6116910214        4.5311122126
 Pt         6.9363182657       12.0113314038        2.2182958240
 Pt         6.9811295936       12.0047391586        9.1688961028
 Pt         8.3058623843       12.8145525442       -0.1116707569
 Pt         8.3481945199       12.8088762485        6.8389581870
 Pt         6.9522256268       13.6111868601        4.5295499686
  O         4.6871496521        6.9004668931       11.7871262662
  H         5.5780421792        7.2137684576       11.5124243247
  H         4.7837628584        5.9299996638       11.6220085475
     183
 i =       34, E =    -21650.0122615116
 Pt         0.0007388168       -0.0033938043        2.2084839297
 Pt         0.0422903552       -0.0085495421        9.1664413853
 Pt         1.3686118154        0.7986048847       -0.1155307981
 Pt         1.4128320584        0.7931504055        6.8353014223
 Pt         0.0158282731        1.5971602695        4.5242081202
 Pt         2.7773985622       -0.0036572120        2.2032172779
 Pt         2.8180493032       -0.0078731903        9.1565280939
 Pt         4.1446139250        0.7982488169       -0.1316597058
 Pt         4.1891406195        0.7930249154        6.8296095030
 Pt         2.7897961766        1.5975834022        4.5155043753
 Pt         5.5503055730       -0.0039339220        2.1997617114
 Pt         5.5923627866       -0.0085335368        9.1612810252
 Pt         6.9198807666        0.7982655195       -0.1292098782
 Pt         6.9625166069        0.7934293441        6.8293248763
 Pt         5.5607374053        1.5944170861        4.5097718263
 Pt         8.3250507878       -0.0052953435        2.2050856455
 Pt         8.3665290539       -0.0083319195        9.1646206790
 Pt         9.6940516871        0.8004479604       -0.1197905188
 Pt         9.7344881216        0.7946613648        6.8320359072
 Pt         8.3362918943        1.5955450657        4.5122208982
 Pt        11.0989487996       -0.0028778876        2.2120913029
 Pt        11.1421494930       -0.0074377523        9.1677736758
 Pt        12.4682242487        0.8005569316       -0.1141806470
 Pt        12.5104066794        0.7961548005        6.8443130530
 Pt        11.1137352069        1.5976904018        4.5218959712
 Pt        13.8739816568       -0.0021136158        2.2164116663
 Pt        13.9151593115       -0.0078177188        9.1742869460
 Pt        15.2405303928        0.8004161215       -0.1104055783
 Pt        15.2857756987        0.7949712598        6.8431730231
 Pt        13.8871845206        1.5973469799        4.5299507832
 Pt        -1.3861689019        2.4005752501        2.2159650908
 Pt        -1.3464374253        2.3938841663        9.1734527600
 Pt        -0.0183312965        3.2054262370       -0.1097775303
 Pt         0.0255097346        3.1983181485        6.8464220213
 Pt        -1.3732320335        3.9998311434        4.5331061167
 Pt         1.3887474344        2.4010780043        2.2103094529
 Pt         1.4311304220        2.3926759684        9.1609303265
 Pt         2.7531104075        3.2024973572       -0.1147192412
 Pt         2.8033843586        3.1959889794        6.8356321625
 Pt         1.4019543156        4.0020357458        4.5367687225
 Pt         4.1630364494        2.3994083392        2.1971668049
 Pt         4.2099578253        2.3930732791        9.1565739728
 Pt         5.5317831818        3.2025917254       -0.1214517862
 Pt         5.5770679513        3.1945018790        6.8205850792
 Pt         4.1762307587        4.0044964504        4.5218474037
 Pt         6.9380969907        2.3988491802        2.1960390818
 Pt         6.9852234032        2.3915718532        9.1531542824
 Pt         8.3074200642        3.2040391386       -0.1282734832
 Pt         8.3496525161        3.1983909021        6.8252434497
 Pt         6.9522597053        3.9993453861        4.5091972591
 Pt         9.7117493628        2.3997437567        2.2032368860
 Pt         9.7579405460        2.3931211900        9.1574008775
 Pt        11.0821512292        3.2043895635       -0.1229684050
 Pt        11.1236919986        3.1982179891        6.8366603769
 Pt         9.7262302019        4.0014515317        4.5156337256
 Pt        12.4859519456        2.4003460941        2.2105751997
 Pt        12.5291477983        2.3940244643        9.1747124229
 Pt        13.8561761351        3.2049580200       -0.1094177050
 Pt        13.8977941391        3.1984892148        6.8465198732
 Pt        12.5000893995        3.9994695929        4.5276036219
 Pt        -2.7747118060        4.8040014654        2.2158688617
 Pt        -2.7316142745        4.7973154267        9.1743172189
 Pt        -1.4032928619        5.6084671110       -0.1041872392
 Pt        -1.3605773654        5.6013954934        6.8520707003
 Pt        -2.7587287631        6.4035002798        4.5270497391
 Pt         0.0006887068        4.8034968181        2.2244328589
 Pt         0.0422089462        4.7953963673        9.1822652603
 Pt         1.3713644275        5.6096710458       -0.0984550381
 Pt         1.4199054124        5.6010366269        6.8697740387
 Pt         0.0184100371        6.4001464434        4.5521579796
 Pt         2.7747933582        4.8037474258        2.2237553101
 Pt         2.8160787997        4.7872884985        9.1795399480
 Pt         4.1424168238        5.6056516455       -0.0992390475
 Pt         4.1950104235        5.5988121739        6.8750562947
 Pt         2.7945397230        6.4031107451        4.5665124419
 Pt         5.5511714165        4.8037831579        2.2087755414
 Pt         5.6100270887        4.7808481120        9.1583851635
 Pt         6.9154844143        5.6073718698       -0.1244737051
 Pt         6.9657165382        5.6004813627        6.8327178172
 Pt         5.5635253867        6.4025153102        4.5421512327
 Pt         8.3268820468        4.8035286752        2.1968065068
 Pt         8.3764132510        4.7955872256        9.1583273701
 Pt         9.6933400892        5.6053681261       -0.1309133314
 Pt         9.7376651779        5.6019055655        6.8316801007
 Pt         8.3396113377        6.4042085187        4.5159570170
 Pt        11.1001681449        4.8035308340        2.2050470205
 Pt        11.1472379349        4.7969436585        9.1619826269
 Pt        12.4682445214        5.6065572119       -0.1180486457
 Pt        12.5112709857        5.6032665897        6.8361389955
 Pt        11.1127243660        6.4065667981        4.5174691428
 Pt        -4.1589358604        7.2066580085        2.2068491877
 Pt        -4.1163742950        7.2004049902        9.1680861441
 Pt        -2.7919079028        8.0116486825       -0.1124374691
 Pt        -2.7485631800        8.0043234399        6.8437131781
 Pt        -4.1449680567        8.8055262839        4.5250121802
 Pt        -1.3847720045        7.2059528550        2.2250030091
 Pt        -1.3451469637        7.2017703116        9.1760657593
 Pt        -0.0172809828        8.0091058543       -0.0932223435
 Pt         0.0352793841        8.0020564915        6.8642022208
 Pt        -1.3638959712        8.8033917942        4.5371518632
 Pt         1.3884443334        7.2041502822        2.2457002314
 Pt         1.4216097971        7.1983951460        9.2075521818
 Pt         2.7542311714        8.0088687768       -0.0833965686
 Pt         2.8196015793        7.9958846889        6.9143128042
 Pt         1.4166406608        8.7986944128        4.5625661508
 Pt         4.1616616971        7.2055735281        2.2386384451
 Pt         4.2087808218        7.1968830090        9.2682039247
 Pt         5.5313428122        8.0091041738       -0.0968726177
 Pt         5.5812340564        7.9982907357        6.8773938531
 Pt         4.1785042591        8.8012930500        4.5650117580
 Pt         6.9381066413        7.2048093054        2.2121337260
 Pt         7.0003257233        7.1947959812        9.1689517334
 Pt         8.3059910176        8.0068536335       -0.1159672972
 Pt         8.3516839932        8.0041250949        6.8292500132
 Pt         6.9463929602        8.8036747623        4.5255075707
 Pt         9.7144658142        7.2047582284        2.2000879172
 Pt         9.7598112467        7.2012609614        9.1623337134
 Pt        11.0826168153        8.0104012866       -0.1212205921
 Pt        11.1230143712        8.0039848019        6.8353811488
 Pt         9.7251629419        8.8098970679        4.5138672163
 Pt        -5.5472981899        9.6090909780        2.2030386868
 Pt        -5.5045767449        9.6037144067        9.1634743156
 Pt        -4.1791272488       10.4115271096       -0.1172878814
 Pt        -4.1356291596       10.4054507132        6.8401175695
 Pt        -5.5342436198       11.2075952009        4.5191914049
 Pt        -2.7694740444        9.6090958433        2.2118476373
 Pt        -2.7319233156        9.6043214645        9.1744654897
 Pt        -1.4057375962       10.4126826491       -0.1214596961
 Pt        -1.3583524286       10.4033377592        6.8506167504
 Pt        -2.7568884679       11.2045390956        4.5260570048
 Pt         0.0017136991        9.6076275346        2.2286938560
 Pt         0.0432756533        9.6055386303        9.1864737304
 Pt         1.3679168685       10.4116537314       -0.0897662821
 Pt         1.4206459732       10.4013450590        6.8625203482
 Pt         0.0194634498       11.2030981663        4.5370031477
 Pt         2.7753383400        9.6069273987        2.2427086811
 Pt         2.8155746759        9.6125225856        9.2070956300
 Pt         4.1434707726       10.4080090432       -0.0912471844
 Pt         4.1936720850       10.4012016995        6.8693904069
 Pt         2.7943871554       11.2075954176        4.5502819021
 Pt         5.5494575935        9.6074007507        2.2289746905
 Pt         5.6000295127        9.6080430321        9.1844349948
 Pt         6.9189724439       10.4128316912       -0.1055287895
 Pt         6.9652156346       10.4046546582        6.8424904696
 Pt         5.5637212320       11.2083694786        4.5412499863
 Pt         8.3271648416        9.6087231950        2.2025992635
 Pt         8.3702236578        9.6004031167        9.1657564960
 Pt         9.6961941982       10.4129760844       -0.1302342422
 Pt         9.7368077750       10.4049741666        6.8344698102
 Pt         8.3384383157       11.2080245846        4.5210912226
 Pt        -6.9353387765       12.0092445082        2.2050178785
 Pt        -6.8941493115       12.0066991150        9.1568713299
 Pt        -5.5675337794       12.8155181116       -0.1159007779
 Pt        -5.5217225081       12.8072528439        6.8328087884
 Pt        -6.9225330140       13.6115560853        4.5214260229
 Pt        -4.1587196106       12.0100264427        2.2060982665
 Pt        -4.1198510792       12.0066081171        9.1651523921
 Pt        -2.7902617462       12.8159529241       -0.1197067640
 Pt        -2.7480396107       12.8069883946        6.8375135831
 Pt        -4.1476496463       13.6088785810        4.5171991739
 Pt        -1.3841888934       12.0079676355        2.2082769027
 Pt        -1.3462557251       12.0077423372        9.1724572524
 Pt        -0.0175405111       12.8151682464       -0.1151471302
 Pt         0.0254169473       12.8079742114        6.8418403524
 Pt        -1.3725468025       13.6077393621        4.5205167931
 Pt         1.3893831796       12.0101846387        2.2264095654
 Pt         1.4282007804       12.0091734393        9.1730315406
 Pt         2.7564192461       12.8126323120       -0.1032724050
 Pt         2.8016693889       12.8080791318        6.8508745044
 Pt         1.4027447154       13.6103071280        4.5276583312
 Pt         4.1629438506       12.0115288284        2.2272944676
 Pt         4.2074107687       12.0065220881        9.1835853517
 Pt         5.5293184797       12.8133679609       -0.1062444284
 Pt         5.5744992487       12.8090357307        6.8514590852
 Pt         4.1777175491       13.6117348021        4.5325369950
 Pt         6.9365095355       12.0112952954        2.2167065503
 Pt         6.9818373857       12.0053280836        9.1707452263
 Pt         8.3056831368       12.8148447247       -0.1136662231
 Pt         8.3489611756       12.8090949586        6.8398114799
 Pt         6.9525197099       13.6110599130        4.5294164793
  O         4.6804601976        6.8991033978       11.7773920565
  H         5.5717256283        7.2225902508       11.5234354737
  H         4.7707771297        5.9304604033       11.6271929010
     183
 i =       35, E =    -21650.0130816754
 Pt         0.0007459716       -0.0026283438        2.2079504863
 Pt         0.0483964338       -0.0111751591        9.1680443398
 Pt         1.3667833895        0.7996067857       -0.1181189972
 Pt         1.4156405437        0.7916779294        6.8370298361
 Pt         0.0179688639        1.5966426631        4.5269337311
 Pt         2.7775943198       -0.0039171016        2.1999904728
 Pt         2.8243543178       -0.0110745795        9.1589612484
 Pt         4.1427975958        0.7992963673       -0.1341366752
 Pt         4.1917764494        0.7906020004        6.8326977939
 Pt         2.7914334788        1.5960521735        4.5167126729
 Pt         5.5504761776       -0.0053066117        2.1978538936
 Pt         5.5996519699       -0.0113497268        9.1658204940
 Pt         6.9179218821        0.7997310130       -0.1291818560
 Pt         6.9647242597        0.7912610506        6.8326159393
 Pt         5.5613202782        1.5924770422        4.5099458746
 Pt         8.3252071795       -0.0055467503        2.2044044242
 Pt         8.3732778366       -0.0095183548        9.1683353992
 Pt         9.6922957824        0.8008082740       -0.1231278119
 Pt         9.7373684398        0.7933457651        6.8339528695
 Pt         8.3366247837        1.5940149665        4.5130283468
 Pt        11.0985163685       -0.0029903189        2.2131129250
 Pt        11.1470451720       -0.0089108074        9.1712884216
 Pt        12.4664371744        0.8008037498       -0.1129658753
 Pt        12.5131832959        0.7956222486        6.8472931852
 Pt        11.1139670306        1.5970791288        4.5237617118
 Pt        13.8733960400       -0.0014138924        2.2176331042
 Pt        13.9206858835       -0.0101347284        9.1774203200
 Pt        15.2397872068        0.8013146797       -0.1101348992
 Pt        15.2887447945        0.7942341692        6.8454864860
 Pt        13.8885349698        1.5979299750        4.5339126583
 Pt        -1.3862176523        2.4011353293        2.2185858809
 Pt        -1.3407423630        2.3902014677        9.1766798188
 Pt        -0.0197893623        3.2053018754       -0.1093411034
 Pt         0.0289386511        3.1967164251        6.8512572179
 Pt        -1.3703068984        4.0001046332        4.5384512609
 Pt         1.3891644657        2.4007999799        2.2103701136
 Pt         1.4369991436        2.3892560029        9.1662484096
 Pt         2.7529537635        3.2033509416       -0.1138005224
 Pt         2.8062130441        3.1932460275        6.8396941164
 Pt         1.4035737126        4.0010839367        4.5396514641
 Pt         4.1634488944        2.3981335609        2.1966979856
 Pt         4.2141648707        2.3901765882        9.1630658236
 Pt         5.5301097035        3.2039427476       -0.1238170965
 Pt         5.5792808311        3.1910442141        6.8252100366
 Pt         4.1770799835        4.0035703065        4.5235308171
 Pt         6.9380757318        2.3983482689        2.1953040818
 Pt         6.9881628523        2.3893019617        9.1584320797
 Pt         8.3049179609        3.2047209381       -0.1326710608
 Pt         8.3520609300        3.1956756378        6.8284854744
 Pt         6.9522656353        3.9977496666        4.5124039398
 Pt         9.7116286818        2.3992086566        2.1996398118
 Pt         9.7626548011        2.3917871324        9.1598756458
 Pt        11.0796899096        3.2043101059       -0.1259291845
 Pt        11.1260267035        3.1976431320        6.8374055470
 Pt         9.7261243604        3.9999041436        4.5141863905
 Pt        12.4858146632        2.4010767619        2.2118876896
 Pt        12.5339750096        2.3915108673        9.1752380841
 Pt        13.8542261115        3.2050285876       -0.1089276337
 Pt        13.9006725051        3.1979242107        6.8500222556
 Pt        12.5014658300        3.9996348619        4.5281866630
 Pt        -2.7734739224        4.8043455436        2.2180549807
 Pt        -2.7279504117        4.7935370467        9.1761529452
 Pt        -1.4059867131        5.6083224594       -0.1057043755
 Pt        -1.3571903015        5.6003456023        6.8565133196
 Pt        -2.7564948495        6.4041377962        4.5309768334
 Pt         0.0008298896        4.8033631499        2.2237561216
 Pt         0.0456347941        4.7918829564        9.1864584788
 Pt         1.3705674028        5.6092604634       -0.0965869210
 Pt         1.4206064691        5.5990608241        6.8730900704
 Pt         0.0190403369        6.3999261023        4.5510920229
 Pt         2.7752390959        4.8034483105        2.2249449626
 Pt         2.8184268555        4.7826235790        9.1854211001
 Pt         4.1412766118        5.6059124539       -0.1014490839
 Pt         4.1957871820        5.5952155996        6.8791886377
 Pt         2.7949692121        6.4027470087        4.5696342740
 Pt         5.5502053025        4.8029367334        2.2107435270
 Pt         5.6121633765        4.7790984525        9.1649209962
 Pt         6.9131964833        5.6077234302       -0.1216308397
 Pt         6.9675925626        5.5976131895        6.8379194098
 Pt         5.5637282466        6.4022048767        4.5468646604
 Pt         8.3259294669        4.8024786416        2.1967391404
 Pt         8.3776122486        4.7932348507        9.1628014468
 Pt         9.6910068156        5.6061907210       -0.1309268321
 Pt         9.7400013699        5.5997417337        6.8339834236
 Pt         8.3400443160        6.4025401296        4.5175812995
 Pt        11.1003862236        4.8034306177        2.2035135896
 Pt        11.1499606117        4.7944529427        9.1652769194
 Pt        12.4665857305        5.6076022898       -0.1172146104
 Pt        12.5137362954        5.6017144311        6.8392654927
 Pt        11.1137121249        6.4054446502        4.5188517639
 Pt        -4.1587809959        7.2066330290        2.2074721676
 Pt        -4.1129338473        7.1976376511        9.1724437424
 Pt        -2.7939753164        8.0120161507       -0.1144043985
 Pt        -2.7463792135        8.0029598568        6.8473011782
 Pt        -4.1443246757        8.8053000212        4.5244937756
 Pt        -1.3851052725        7.2061465525        2.2224340461
 Pt        -1.3428637369        7.1985776473        9.1812766040
 Pt        -0.0186048386        8.0096439323       -0.0939722219
 Pt         0.0341030706        8.0008747735        6.8673338623
 Pt        -1.3634523687        8.8032781977        4.5390415159
 Pt         1.3884987909        7.2053056957        2.2448765759
 Pt         1.4211769994        7.1958089066        9.2117958579
 Pt         2.7538585459        8.0094095385       -0.0813230386
 Pt         2.8176678921        7.9946473948        6.9195216938
 Pt         1.4170452852        8.7977557238        4.5666794765
 Pt         4.1618812454        7.2050878679        2.2404396736
 Pt         4.2044199044        7.1967602074        9.2678103000
 Pt         5.5292191902        8.0088372917       -0.0973441591
 Pt         5.5821866535        7.9974805602        6.8843115551
 Pt         4.1792132380        8.8011933118        4.5710925893
 Pt         6.9372864289        7.2049779416        2.2156298677
 Pt         7.0040437289        7.1938232431        9.1722052426
 Pt         8.3035728198        8.0070947063       -0.1155249527
 Pt         8.3563074392        8.0023071822        6.8329104929
 Pt         6.9465810419        8.8032921058        4.5303786316
 Pt         9.7143526270        7.2048716228        2.2008166254
 Pt         9.7637933303        7.1986316616        9.1665305033
 Pt        11.0799907749        8.0102891072       -0.1245068443
 Pt        11.1268486380        8.0022575333        6.8384133918
 Pt         9.7257244874        8.8091200714        4.5159046517
 Pt        -5.5475107749        9.6086054367        2.2013259377
 Pt        -5.4990223928        9.6012098490        9.1666651953
 Pt        -4.1805399362       10.4117608824       -0.1190708203
 Pt        -4.1330959764       10.4044578451        6.8405179185
 Pt        -5.5338862000       11.2071071473        4.5184373988
 Pt        -2.7699432662        9.6086150795        2.2106307172
 Pt        -2.7282865429        9.6016967685        9.1761368533
 Pt        -1.4075589398       10.4138303335       -0.1223604561
 Pt        -1.3558276429       10.4033232402        6.8538766300
 Pt        -2.7555220539       11.2040685722        4.5264840280
 Pt         0.0007504870        9.6078881526        2.2269454252
 Pt         0.0437656093        9.6031321872        9.1909617962
 Pt         1.3681966015       10.4118547880       -0.0910757470
 Pt         1.4208671981       10.4016857973        6.8677245757
 Pt         0.0214202010       11.2013528977        4.5395054118
 Pt         2.7751128535        9.6067498615        2.2464144694
 Pt         2.8171714208        9.6135944035        9.2125991178
 Pt         4.1414594601       10.4074667530       -0.0904560364
 Pt         4.1935511793       10.4014713518        6.8746276756
 Pt         2.7946924932       11.2074932476        4.5516271667
 Pt         5.5490638580        9.6073843515        2.2310165912
 Pt         5.6036557383        9.6092084211        9.1895671508
 Pt         6.9164981650       10.4121721985       -0.1048626656
 Pt         6.9680668005       10.4038141632        6.8473458268
 Pt         5.5636563910       11.2087201338        4.5445630856
 Pt         8.3269500036        9.6083163824        2.2038537336
 Pt         8.3747623862        9.5988781732        9.1701696408
 Pt         9.6934031316       10.4121911053       -0.1312855413
 Pt         9.7399957342       10.4037802283        6.8374868388
 Pt         8.3384930483       11.2073294425        4.5222973041
 Pt        -6.9353206748       12.0091992600        2.2018392806
 Pt        -6.8871321570       12.0043038482        9.1601008351
 Pt        -5.5691134597       12.8155893405       -0.1203401510
 Pt        -5.5194335940       12.8057768222        6.8343567995
 Pt        -6.9212042605       13.6104045043        4.5197217250
 Pt        -4.1591200131       12.0096244199        2.2043148198
 Pt        -4.1128868060       12.0043030854        9.1673700001
 Pt        -2.7918755965       12.8163150821       -0.1213235979
 Pt        -2.7456987638       12.8056125272        6.8402562947
 Pt        -4.1463740358       13.6078592839        4.5169254709
 Pt        -1.3846448632       12.0073459068        2.2101725625
 Pt        -1.3409567501       12.0055845246        9.1775658920
 Pt        -0.0200153652       12.8154228238       -0.1144999255
 Pt         0.0282628796       12.8073899623        6.8464555045
 Pt        -1.3715175158       13.6063868684        4.5223597506
 Pt         1.3887426168       12.0097228299        2.2238826751
 Pt         1.4317547004       12.0073514324        9.1810373221
 Pt         2.7550371035       12.8137412880       -0.1057123180
 Pt         2.8040591518       12.8074207469        6.8550808776
 Pt         1.4029733045       13.6083692386        4.5281044364
 Pt         4.1620878881       12.0117450629        2.2266375309
 Pt         4.2096363812       12.0061749853        9.1886934354
 Pt         5.5283759982       12.8138271912       -0.1044556521
 Pt         5.5776403799       12.8083683582        6.8552616162
 Pt         4.1783603007       13.6117741120        4.5369028655
 Pt         6.9364817283       12.0113828395        2.2165957055
 Pt         6.9867152059       12.0041592654        9.1743615858
 Pt         8.3043669881       12.8151870891       -0.1153100050
 Pt         8.3519933857       12.8083657238        6.8411437188
 Pt         6.9534650455       13.6111843132        4.5297269410
  O         4.6177330438        6.8919372445       11.7437550815
  H         5.5151241481        7.2489998291       11.5603438397
  H         4.7226051805        5.9270377545       11.6209167855
     183
 i =       36, E =    -21650.0124580125
 Pt         0.0007107019       -0.0007826212        2.2104836683
 Pt         0.0704969419       -0.0227135565        9.1737334366
 Pt         1.3596121112        0.8029991202       -0.1206409374
 Pt         1.4265916252        0.7844964929        6.8432225810
 Pt         0.0254393088        1.5942722620        4.5381729274
 Pt         2.7783255467       -0.0056625773        2.1940439129
 Pt         2.8472808407       -0.0237165628        9.1660559839
 Pt         4.1355983634        0.8026517908       -0.1387617930
 Pt         4.2024550628        0.7807999959        6.8426309536
 Pt         2.7975156732        1.5898826862        4.5216216924
 Pt         5.5509667391       -0.0102125536        2.1953591683
 Pt         5.6242965355       -0.0220190812        9.1818365690
 Pt         6.9103254010        0.8039835456       -0.1276518492
 Pt         6.9734110145        0.7826678505        6.8429865733
 Pt         5.5642639913        1.5847734146        4.5118736669
 Pt         8.3253480231       -0.0074653777        2.2059755371
 Pt         8.3956925022       -0.0153305348        9.1801127178
 Pt         9.6852750987        0.8028340296       -0.1281368346
 Pt         9.7471743647        0.7874390742        6.8397648232
 Pt         8.3386558499        1.5881189751        4.5157070789
 Pt        11.0968840265       -0.0035269159        2.2203775614
 Pt        11.1650862617       -0.0157239090        9.1832269090
 Pt        12.4595429394        0.8027197121       -0.1037849684
 Pt        12.5231089336        0.7921163976        6.8593189808
 Pt        11.1162354555        1.5943926746        4.5308581895
 Pt        13.8715068606        0.0009519697        2.2274993918
 Pt        13.9405937334       -0.0202878743        9.1908332129
 Pt        15.2351398734        0.8046591995       -0.1026194624
 Pt        15.2993965265        0.7900055294        6.8563581772
 Pt        13.8939720951        1.5986761189        4.5501417195
 Pt        -1.3859755341        2.4027917586        2.2322419820
 Pt        -1.3207603087        2.3756157031        9.1906562257
 Pt        -0.0262240125        3.2063558077       -0.1019556506
 Pt         0.0413823106        3.1900029190        6.8690280936
 Pt        -1.3608402479        3.9996419363        4.5586779626
 Pt         1.3905697444        2.3994971158        2.2150203457
 Pt         1.4580571581        2.3755888140        9.1818045984
 Pt         2.7492291517        3.2066210990       -0.1079372611
 Pt         2.8172496548        3.1826382929        6.8519307526
 Pt         1.4098374546        3.9971567093        4.5523718260
 Pt         4.1645467459        2.3936338464        2.1970719730
 Pt         4.2310447501        2.3791089574        9.1814855401
 Pt         5.5232028598        3.2080772250       -0.1274968524
 Pt         5.5878254921        3.1788259168        6.8366804551
 Pt         4.1809906603        3.9988148937        4.5286301890
 Pt         6.9378146884        2.3958568640        2.1945011089
 Pt         7.0014131629        2.3809155159        9.1726869352
 Pt         8.2962221736        3.2074076783       -0.1423632803
 Pt         8.3603076604        3.1865226184        6.8360278806
 Pt         6.9538172251        3.9917716231        4.5199449962
 Pt         9.7107953434        2.3972065606        2.1925239139
 Pt         9.7803832356        2.3851288446        9.1653438060
 Pt        11.0712512103        3.2056031614       -0.1298757808
 Pt        11.1347096031        3.1939623151        6.8409333824
 Pt         9.7273309685        3.9946126990        4.5114038061
 Pt        12.4851027170        2.4029591155        2.2207713223
 Pt        12.5517009667        2.3807714175        9.1809566164
 Pt        13.8469890740        3.2067280823       -0.0993478708
 Pt        13.9113916673        3.1944433767        6.8647188599
 Pt        12.5068626431        3.9988729961        4.5344684132
 Pt        -2.7700456420        4.8054577100        2.2302281034
 Pt        -2.7138635476        4.7791517056        9.1860905107
 Pt        -1.4152055185        5.6096054507       -0.1026234427
 Pt        -1.3454949190        5.5957797948        6.8734643568
 Pt        -2.7490297276        6.4044544310        4.5454513008
 Pt         0.0015591131        4.8029234587        2.2286529950
 Pt         0.0584515867        4.7777897661        9.2031364968
 Pt         1.3657693724        5.6097833285       -0.0867476554
 Pt         1.4259273535        5.5918550315        6.8872213633
 Pt         0.0230968574        6.3978842425        4.5556669753
 Pt         2.7760521469        4.8020786362        2.2315820527
 Pt         2.8276205196        4.7659482028        9.2016533005
 Pt         4.1353812609        5.6074414699       -0.1035575131
 Pt         4.2010773506        5.5828966611        6.8911855901
 Pt         2.7984256657        6.3998079209        4.5827403547
 Pt         5.5474129976        4.8001546935        2.2166288432
 Pt         5.6224131305        4.7711738330        9.1804825603
 Pt         6.9044033246        5.6095509507       -0.1135517264
 Pt         6.9745802166        5.5879010059        6.8505677367
 Pt         5.5659229774        6.3992209317        4.5593716864
 Pt         8.3233541643        4.7993095055        2.1969183494
 Pt         8.3854808425        4.7843446155        9.1742045689
 Pt         9.6825628526        5.6094668517       -0.1293335363
 Pt         9.7480458866        5.5920043960        6.8412918605
 Pt         8.3423583427        6.3966252126        4.5229793689
 Pt        11.1008992531        4.8027736352        2.2030836392
 Pt        11.1622912006        4.7841561953        9.1746266092
 Pt        12.4596974213        5.6117898958       -0.1096604584
 Pt        12.5229839646        5.5957855648        6.8499076790
 Pt        11.1174159537        6.4012734343        4.5250935335
 Pt        -4.1579442856        7.2064758885        2.2132720114
 Pt        -4.0990820350        7.1860410137        9.1861535136
 Pt        -2.8014929538        8.0150177829       -0.1146239265
 Pt        -2.7384558805        7.9977779692        6.8602145650
 Pt        -4.1416491772        8.8029463985        4.5269009200
 Pt        -1.3857350522        7.2068553767        2.2220794446
 Pt        -1.3329986028        7.1861104220        9.1992854297
 Pt        -0.0244610791        8.0121862934       -0.0897262527
 Pt         0.0345381932        7.9962230419        6.8814395815
 Pt        -1.3600100235        8.8013513306        4.5495828649
 Pt         1.3879827598        7.2076714213        2.2504112958
 Pt         1.4214039070        7.1856354299        9.2284580990
 Pt         2.7495165965        8.0118741504       -0.0692472820
 Pt         2.8157771852        7.9894734172        6.9392468566
 Pt         1.4208844359        8.7935717000        4.5839423508
 Pt         4.1617538183        7.2034010854        2.2489413809
 Pt         4.1932524830        7.1951032710        9.2684566834
 Pt         5.5210141021        8.0091671120       -0.0936223504
 Pt         5.5874974392        7.9924282723        6.9043545837
 Pt         4.1832421383        8.7989900084        4.5919792423
 Pt         6.9349696670        7.2047954685        2.2267955495
 Pt         7.0163365394        7.1879099328        9.1816673478
 Pt         8.2947841907        8.0084616047       -0.1098017965
 Pt         8.3698554346        7.9947520998        6.8447633996
 Pt         6.9481739227        8.8007387319        4.5454470364
 Pt         9.7144444035        7.2043510549        2.2055556164
 Pt         9.7781102720        7.1881374689        9.1804219613
 Pt        11.0709884463        8.0118454296       -0.1283948523
 Pt        11.1386962298        7.9951089282        6.8491876290
 Pt         9.7277760672        8.8055789942        4.5241236452
 Pt        -5.5477925948        9.6070671292        2.2001961030
 Pt        -5.4792079354        9.5904435389        9.1781704412
 Pt        -4.1862948164       10.4140034113       -0.1208335215
 Pt        -4.1240264589       10.3990463969        6.8455628525
 Pt        -5.5321272299       11.2037149642        4.5187708793
 Pt        -2.7711354132        9.6073317065        2.2120290640
 Pt        -2.7140572926        9.5908027819        9.1863855682
 Pt        -1.4147469008       10.4180798421       -0.1211361363
 Pt        -1.3472028072       10.4011223567        6.8683039035
 Pt        -2.7509459815       11.2004127617        4.5320599616
 Pt        -0.0023438342        9.6081239657        2.2289947977
 Pt         0.0489070680        9.5939735070        9.2094656781
 Pt         1.3658694847       10.4134994911       -0.0863686710
 Pt         1.4242763712       10.4001230245        6.8876332596
 Pt         0.0280727067       11.1949433699        4.5524518750
 Pt         2.7737150058        9.6058216063        2.2638180297
 Pt         2.8238164014        9.6151505074        9.2334549610
 Pt         4.1334234931       10.4070486828       -0.0799576890
 Pt         4.1964070133       10.3994822647        6.8943077011
 Pt         2.7977777696       11.2059446111        4.5628055637
 Pt         5.5477837179        9.6070097639        2.2420702338
 Pt         5.6172542498        9.6098741588        9.2061829928
 Pt         6.9075621449       10.4116254569       -0.0960681549
 Pt         6.9784986818       10.3988199862        6.8633820315
 Pt         5.5652162841       11.2087432200        4.5598492235
 Pt         8.3268739442        9.6070682914        2.2109537624
 Pt         8.3912126013        9.5908833237        9.1848155470
 Pt         9.6842547264       10.4116168338       -0.1312508364
 Pt         9.7508159685       10.3975061966        6.8476409239
 Pt         8.3398889713       11.2044270874        4.5286110293
 Pt        -6.9352971650       12.0086416907        2.1965216193
 Pt        -6.8628440744       11.9938674978        9.1685753489
 Pt        -5.5754507173       12.8169599380       -0.1294763147
 Pt        -5.5099487117       12.7984557561        6.8396210504
 Pt        -6.9164987427       13.6058221533        4.5172358128
 Pt        -4.1601688600       12.0077480242        2.2024853075
 Pt        -4.0889276630       11.9941458209        9.1773032649
 Pt        -2.7983228835       12.8183665234       -0.1230957451
 Pt        -2.7363521793       12.7989392438        6.8517287048
 Pt        -4.1419112784       13.6024865164        4.5185690446
 Pt        -1.3860401408       12.0045915863        2.2193140697
 Pt        -1.3222755582       11.9968377585        9.1976504842
 Pt        -0.0288634300       12.8171448152       -0.1082511081
 Pt         0.0379717245       12.8031214662        6.8627501958
 Pt        -1.3675153726       13.6002838846        4.5305427171
 Pt         1.3866566934       12.0075930447        2.2246976208
 Pt         1.4453584290       12.0004593293        9.2066726299
 Pt         2.7487646453       12.8175636013       -0.1044372815
 Pt         2.8130374877       12.8031672930        6.8714648654
 Pt         1.4052824440       13.6018184874        4.5336793933
 Pt         4.1595973941       12.0122354477        2.2329906002
 Pt         4.2205901026       12.0024109324        9.2087505763
 Pt         5.5233201786       12.8159713987       -0.0924312963
 Pt         5.5885398501       12.8041164751        6.8713652110
 Pt         4.1819497829       13.6109407431        4.5537491787
 Pt         6.9361628820       12.0119482621        2.2225288330
 Pt         7.0052586434       11.9968203854        9.1877800330
 Pt         8.2984179294       12.8168313721       -0.1145203875
 Pt         8.3626249021       12.8034730758        6.8471913005
 Pt         6.9575109503       13.6107599752        4.5358292852
  O         4.3677330438        6.8785534393       11.6115800599
  H         5.2792150098        7.3468124954       11.6372529280
  H         4.5379957302        5.9257206034       11.5155696185
     183
 i =       37, E =    -21650.0142105243
 Pt         0.0004393140       -0.0015027463        2.2084439313
 Pt         0.0603639372       -0.0167372000        9.1703313166
 Pt         1.3633931879        0.8012369858       -0.1216594701
 Pt         1.4220228299        0.7883860006        6.8399993490
 Pt         0.0214716192        1.5957808684        4.5311752665
 Pt         2.7779727224       -0.0043764011        2.1950506299
 Pt         2.8356078807       -0.0169079417        9.1618487721
 Pt         4.1393982233        0.8009674753       -0.1372591511
 Pt         4.1977292877        0.7864284829        6.8376525594
 Pt         2.7942982963        1.5931139259        4.5189615673
 Pt         5.5508867875       -0.0073785028        2.1958438981
 Pt         5.6119897934       -0.0162062033        9.1716799074
 Pt         6.9140392426        0.8018648615       -0.1281360157
 Pt         6.9699547334        0.7875255984        6.8382636831
 Pt         5.5626858269        1.5891664253        4.5114806799
 Pt         8.3254034412       -0.0059870201        2.2038501788
 Pt         8.3848698848       -0.0117669951        9.1743803190
 Pt         9.6887366171        0.8015597939       -0.1269741141
 Pt         9.7426308343        0.7907856858        6.8371897246
 Pt         8.3377141167        1.5912272712        4.5148493550
 Pt        11.0975113542       -0.0029071023        2.2155779808
 Pt        11.1562898527       -0.0117809906        9.1761435597
 Pt        12.4629265086        0.8012250524       -0.1116159986
 Pt        12.5185325345        0.7939486068        6.8508783655
 Pt        11.1151410885        1.5962694506        4.5262521990
 Pt        13.8722804615       -0.0000502075        2.2200644562
 Pt        13.9317161224       -0.0147869632        9.1809618231
 Pt        15.2374492501        0.8025167791       -0.1101548721
 Pt        15.2947733824        0.7922490546        6.8485508543
 Pt        13.8911944893        1.5988406717        4.5385772558
 Pt        -1.3866073462        2.4019514784        2.2220075077
 Pt        -1.3300346611        2.3832361821        9.1807763215
 Pt        -0.0230058894        3.2056158250       -0.1076489671
 Pt         0.0356803683        3.1934455364        6.8580599158
 Pt        -1.3660074753        4.0001293774        4.5448106703
 Pt         1.3895392867        2.4001994796        2.2120841400
 Pt         1.4473084977        2.3823010403        9.1747053429
 Pt         2.7520956517        3.2050194331       -0.1105710788
 Pt         2.8117180026        3.1879590083        6.8460552167
 Pt         1.4067139913        3.9991827052        4.5442562518
 Pt         4.1642386185        2.3958571007        2.1973944613
 Pt         4.2226807542        2.3847294723        9.1725993090
 Pt         5.5269471956        3.2059973153       -0.1245415856
 Pt         5.5839124272        3.1854455165        6.8331990786
 Pt         4.1789477974        4.0017656259        4.5273246575
 Pt         6.9380770341        2.3972739492        2.1955390299
 Pt         6.9952688653        2.3856841591        9.1665511435
 Pt         8.3003487336        3.2059082806       -0.1372636431
 Pt         8.3569325573        3.1913891244        6.8336898050
 Pt         6.9525370908        3.9950598328        4.5188443273
 Pt         9.7113918596        2.3981753582        2.1956229967
 Pt         9.7714293493        2.3889753071        9.1634803015
 Pt        11.0753588135        3.2044998548       -0.1289484549
 Pt        11.1306158281        3.1959228719        6.8381432375
 Pt         9.7267861951        3.9971508663        4.5129072153
 Pt        12.4856140446        2.4021630410        2.2124070555
 Pt        12.5431511869        2.3868716151        9.1750847296
 Pt        13.8504247892        3.2053940131       -0.1084659076
 Pt        13.9065747138        3.1963106047        6.8544368966
 Pt        12.5040907188        3.9997030886        4.5295928407
 Pt        -2.7719971415        4.8045752422        2.2206678860
 Pt        -2.7209451281        4.7866995665        9.1788944678
 Pt        -1.4104248143        5.6085236366       -0.1067310045
 Pt        -1.3518530466        5.5979930736        6.8626079524
 Pt        -2.7534378589        6.4044956340        4.5368845635
 Pt         0.0013427468        4.8034852352        2.2251513439
 Pt         0.0527090592        4.7850098988        9.1940043684
 Pt         1.3681090796        5.6090660001       -0.0925962149
 Pt         1.4236813545        5.5954718353        6.8786844572
 Pt         0.0212024414        6.3995165546        4.5522248268
 Pt         2.7759336133        4.8032879694        2.2291809261
 Pt         2.8225300371        4.7734283672        9.1937324165
 Pt         4.1387199884        5.6067179138       -0.1008779782
 Pt         4.1982990985        5.5898081189        6.8870586993
 Pt         2.7961873917        6.4021318784        4.5757887759
 Pt         5.5485895759        4.8015152726        2.2163977195
 Pt         5.6168845346        4.7751056442        9.1765816955
 Pt         6.9089146100        5.6082445223       -0.1148048691
 Pt         6.9709970904        5.5934301750        6.8481461337
 Pt         5.5643437799        6.4016388045        4.5569170959
 Pt         8.3241922323        4.8008091711        2.1993416823
 Pt         8.3818181183        4.7891558669        9.1700446098
 Pt         9.6865276586        5.6075697922       -0.1287945861
 Pt         9.7448643151        5.5956741367        6.8378963360
 Pt         8.3407820314        6.3997930517        4.5222914960
 Pt        11.1005270530        4.8028447822        2.2022411486
 Pt        11.1558498621        4.7896820525        9.1696800411
 Pt        12.4630531542        5.6091829370       -0.1161269462
 Pt        12.5187093415        5.5988466134        6.8439799395
 Pt        11.1158404988        6.4034044257        4.5214688655
 Pt        -4.1587114339        7.2061287004        2.2095817919
 Pt        -4.1066716035        7.1917262268        9.1791913380
 Pt        -2.7977724856        8.0123895343       -0.1166594498
 Pt        -2.7425451358        8.0006378169        6.8521371316
 Pt        -4.1431755743        8.8047331088        4.5239589198
 Pt        -1.3853417787        7.2063527744        2.2209352998
 Pt        -1.3378662354        7.1925523602        9.1889725633
 Pt        -0.0215606867        8.0105722034       -0.0934134003
 Pt         0.0341173222        7.9991957202        6.8719801700
 Pt        -1.3623186175        8.8029735219        4.5419298907
 Pt         1.3883370132        7.2068366261        2.2452956579
 Pt         1.4207917299        7.1909052693        9.2174029723
 Pt         2.7524721792        8.0103363728       -0.0762205073
 Pt         2.8151513481        7.9926625750        6.9277487994
 Pt         1.4183303774        8.7962210880        4.5723487661
 Pt         4.1616412636        7.2044331840        2.2464638418
 Pt         4.1996119860        7.1942801575        9.2702713956
 Pt         5.5250703144        8.0086808986       -0.0930999465
 Pt         5.5840423674        7.9954805493        6.8985467606
 Pt         4.1807914763        8.8003958280        4.5829258899
 Pt         6.9358526163        7.2048045242        2.2237154326
 Pt         7.0100896875        7.1914256572        9.1806119051
 Pt         8.2993964832        8.0077263345       -0.1125409216
 Pt         8.3631190423        7.9988908547        6.8397007879
 Pt         6.9466994090        8.8018974185        4.5399785580
 Pt         9.7140789089        7.2044676828        2.2038815112
 Pt         9.7705285192        7.1936796098        9.1724172135
 Pt        11.0751451374        8.0102054316       -0.1267474601
 Pt        11.1334587848        7.9989337258        6.8424331705
 Pt         9.7269769281        8.8074678409        4.5196260575
 Pt        -5.5480255067        9.6074553406        2.1989781100
 Pt        -5.4893881243        9.5959495235        9.1702901405
 Pt        -4.1839588156       10.4120042476       -0.1229609773
 Pt        -4.1282416017       10.4022736637        6.8410310094
 Pt        -5.5329496123       11.2061798808        4.5170145517
 Pt        -2.7709753241        9.6078023392        2.2087561574
 Pt        -2.7209793092        9.5961526516        9.1780308137
 Pt        -1.4109344248       10.4152319656       -0.1229060973
 Pt        -1.3518451785       10.4031142288        6.8577967644
 Pt        -2.7535992633       11.2032186710        4.5267203429
 Pt        -0.0007177096        9.6080129123        2.2258955727
 Pt         0.0474793355        9.5986493503        9.1985726062
 Pt         1.3672162956       10.4126685737       -0.0908028401
 Pt         1.4219700741       10.4016200390        6.8760819173
 Pt         0.0240675228       11.1991365317        4.5435616061
 Pt         2.7745633130        9.6066567334        2.2536921921
 Pt         2.8207684194        9.6142140868        9.2206421647
 Pt         4.1378405723       10.4076311427       -0.0861333795
 Pt         4.1957426526       10.4010454964        6.8843560555
 Pt         2.7957800071       11.2065945479        4.5566333487
 Pt         5.5481543490        9.6072605812        2.2381294353
 Pt         5.6107589175        9.6096122953        9.2003467102
 Pt         6.9118776164       10.4115453220       -0.1013757527
 Pt         6.9730203112       10.4017679074        6.8552575003
 Pt         5.5642731200       11.2086335702        4.5503951412
 Pt         8.3264404812        9.6077637606        2.2080205957
 Pt         8.3833186882        9.5954165157        9.1765682566
 Pt         9.6883737215       10.4113211480       -0.1314559512
 Pt         9.7456314378       10.4008858114        6.8414656862
 Pt         8.3391345100       11.2059718263        4.5248813177
 Pt        -6.9352907076       12.0091366630        2.1973675703
 Pt        -6.8753260929       11.9994218687        9.1638182956
 Pt        -5.5722659091       12.8157818931       -0.1276787187
 Pt        -5.5145397104       12.8026757152        6.8358310229
 Pt        -6.9189133443       13.6084929698        4.5168222415
 Pt        -4.1596883356       12.0088837016        2.2013365235
 Pt        -4.1009287981       11.9995421755        9.1689837391
 Pt        -2.7955121140       12.8170012158       -0.1245853432
 Pt        -2.7403862024       12.8032133678        6.8443771094
 Pt        -4.1442493654       13.6058501339        4.5162880707
 Pt        -1.3854159412       12.0065102040        2.2122147017
 Pt        -1.3305762268       12.0016135625        9.1842272950
 Pt        -0.0244201193       12.8159024566       -0.1134433232
 Pt         0.0336108538       12.8059796999        6.8536553841
 Pt        -1.3693605540       13.6038119068        4.5255505069
 Pt         1.3876547289       12.0090465337        2.2224025490
 Pt         1.4396786745       12.0042792088        9.1926228629
 Pt         2.7520375488       12.8156815463       -0.1066031402
 Pt         2.8084307459       12.8059670531        6.8613034336
 Pt         1.4038302994       13.6056914955        4.5303965887
 Pt         4.1604816918       12.0119933652        2.2286239813
 Pt         4.2162530064       12.0047881610        9.1971342161
 Pt         5.5257584028       12.8147192765       -0.1010130905
 Pt         5.5832148479       12.8066607193        6.8601515353
 Pt         4.1798088563       13.6118860984        4.5421211533
 Pt         6.9361156954       12.0119632091        2.2175428275
 Pt         6.9966842200       12.0009060375        9.1790132252
 Pt         8.3014493156       12.8157072608       -0.1171331647
 Pt         8.3579854474       12.8061011465        6.8426610127
 Pt         6.9551961886       13.6112844334        4.5309385076
  O         4.4933138722        6.8901959731       11.6806012297
  H         5.3947413311        7.2778988604       11.6153974780
  H         4.6349180494        5.9294841445       11.6098440660
     183
 i =       38, E =    -21650.0144496718
 Pt         0.0001799700       -0.0018290964        2.2077946840
 Pt         0.0583236535       -0.0157889690        9.1704984848
 Pt         1.3643012277        0.8008629091       -0.1208584517
 Pt         1.4214444140        0.7890740820        6.8403170224
 Pt         0.0203525862        1.5957301112        4.5306309140
 Pt         2.7777841275       -0.0044119638        2.1958242218
 Pt         2.8331364845       -0.0155775102        9.1618954513
 Pt         4.1402895540        0.8005513741       -0.1373723770
 Pt         4.1969345898        0.7878644602        6.8358033575
 Pt         2.7932061176        1.5938074340        4.5183533499
 Pt         5.5507228169       -0.0066939866        2.1960484284
 Pt         5.6087982017       -0.0144021332        9.1684928997
 Pt         6.9149718491        0.8012594505       -0.1285562100
 Pt         6.9695844153        0.7892019752        6.8368193836
 Pt         5.5625676795        1.5906809862        4.5114843721
 Pt         8.3254217081       -0.0056391486        2.2040109333
 Pt         8.3818903031       -0.0108443085        9.1743339107
 Pt         9.6895397645        0.8015327627       -0.1253493714
 Pt         9.7416614020        0.7914867863        6.8376190536
 Pt         8.3374713858        1.5920640729        4.5148667566
 Pt        11.0974075218       -0.0024731402        2.2144507033
 Pt        11.1548060180       -0.0108011230        9.1750222852
 Pt        12.4635294990        0.8010436132       -0.1129864069
 Pt        12.5178881457        0.7937436655        6.8493480466
 Pt        11.1148445201        1.5965503214        4.5259554471
 Pt        13.8721476947       -0.0003635094        2.2189935715
 Pt        13.9301097581       -0.0136913014        9.1772194992
 Pt        15.2379146195        0.8019445863       -0.1107343073
 Pt        15.2946285025        0.7921563841        6.8473392250
 Pt        13.8903340283        1.5985768534        4.5363437773
 Pt        -1.3870112553        2.4015673739        2.2200628940
 Pt        -1.3320491161        2.3849458535        9.1782220137
 Pt        -0.0223145376        3.2055636206       -0.1078152489
 Pt         0.0349728957        3.1940859432        6.8554299445
 Pt        -1.3679042872        4.0001570708        4.5411008466
 Pt         1.3890428443        2.4002166244        2.2125197060
 Pt         1.4447398209        2.3839370489        9.1734205907
 Pt         2.7523436804        3.2047336775       -0.1106430980
 Pt         2.8110270146        3.1890925771        6.8441255787
 Pt         1.4057467575        3.9996904416        4.5419678064
 Pt         4.1641428339        2.3962946332        2.1981912049
 Pt         4.2210796687        2.3862346172        9.1700126427
 Pt         5.5280466552        3.2056567628       -0.1235865861
 Pt         5.5830919107        3.1884633446        6.8319811477
 Pt         4.1784347725        4.0024571886        4.5275169883
 Pt         6.9382410385        2.3978181968        2.1967151491
 Pt         6.9941382577        2.3874522008        9.1651166003
 Pt         8.3015891760        3.2056978679       -0.1348292711
 Pt         8.3556157266        3.1930009280        6.8325789904
 Pt         6.9521670986        3.9963329910        4.5186185808
 Pt         9.7110897164        2.3984689478        2.1977207919
 Pt         9.7691283815        2.3899791505        9.1640023291
 Pt        11.0763606388        3.2042443005       -0.1273352538
 Pt        11.1296297119        3.1959183731        6.8383638966
 Pt         9.7265595637        3.9975995029        4.5140803906
 Pt        12.4852960800        2.4015529986        2.2116787416
 Pt        12.5416023571        2.3884496956        9.1735057304
 Pt        13.8511593101        3.2049732001       -0.1105701401
 Pt        13.9060503423        3.1963338818        6.8514814630
 Pt        12.5033248010        3.9999565659        4.5288107541
 Pt        -2.7728669843        4.8044233561        2.2185008231
 Pt        -2.7224751628        4.7886318705        9.1781757555
 Pt        -1.4092422924        5.6082301814       -0.1068191422
 Pt        -1.3534202859        5.5983902215        6.8596968152
 Pt        -2.7549028406        6.4043807340        4.5359914327
 Pt         0.0009364703        4.8038208122        2.2251489504
 Pt         0.0512531910        4.7864204414        9.1911018996
 Pt         1.3685647092        5.6090641658       -0.0942068415
 Pt         1.4229549744        5.5958990145        6.8744939075
 Pt         0.0204308245        6.3998955423        4.5516469455
 Pt         2.7757135410        4.8035039321        2.2279241205
 Pt         2.8209069294        4.7757584587        9.1891179010
 Pt         4.1396520203        5.6068508504       -0.0996322921
 Pt         4.1976609651        5.5921924630        6.8854094236
 Pt         2.7954492194        6.4025840377        4.5727151367
 Pt         5.5489416543        4.8018658202        2.2158435814
 Pt         5.6153495044        4.7751963246        9.1754778953
 Pt         6.9103516722        5.6082778394       -0.1155367219
 Pt         6.9699870754        5.5953487899        6.8474125505
 Pt         5.5642504671        6.4019817150        4.5560385070
 Pt         8.3244578310        4.8008273583        2.2000530812
 Pt         8.3808125512        4.7907034074        9.1683371760
 Pt         9.6872271768        5.6068772849       -0.1277544358
 Pt         9.7433642337        5.5965424639        6.8359663200
 Pt         8.3400275703        6.4002329214        4.5221511089
 Pt        11.0999659235        4.8025936179        2.2029143308
 Pt        11.1540862507        4.7908991816        9.1682322940
 Pt        12.4635625899        5.6081740732       -0.1172524649
 Pt        12.5177952391        5.5994353340        6.8433739505
 Pt        11.1153229352        6.4037163466        4.5207623756
 Pt        -4.1591340082        7.2056799138        2.2086985628
 Pt        -4.1091406512        7.1927043053        9.1783297599
 Pt        -2.7970455311        8.0113625681       -0.1163133450
 Pt        -2.7433225386        8.0012840410        6.8511605988
 Pt        -4.1435535578        8.8054911254        4.5235843248
 Pt        -1.3856141775        7.2062130921        2.2225386979
 Pt        -1.3392527168        7.1935609012        9.1857336718
 Pt        -0.0210747438        8.0100404029       -0.0950426528
 Pt         0.0337444884        7.9999919915        6.8684857055
 Pt        -1.3634590521        8.8036555350        4.5389800632
 Pt         1.3880611155        7.2066470931        2.2432864632
 Pt         1.4206083149        7.1919212418        9.2119204271
 Pt         2.7531859213        8.0102842663       -0.0790293780
 Pt         2.8157083579        7.9934608264        6.9231675226
 Pt         1.4165072634        8.7973969476        4.5666786143
 Pt         4.1617022672        7.2051063635        2.2458703835
 Pt         4.2032928472        7.1910933392        9.2727412123
 Pt         5.5262967286        8.0090607377       -0.0930774422
 Pt         5.5824681252        7.9957746286        6.8973620348
 Pt         4.1798333868        8.8006769113        4.5793996470
 Pt         6.9360114610        7.2047834611        2.2218774485
 Pt         7.0069123962        7.1919210788        9.1813274422
 Pt         8.3002289456        8.0076616441       -0.1137173717
 Pt         8.3601520330        7.9990215926        6.8378713148
 Pt         6.9463980741        8.8018374464        4.5387785010
 Pt         9.7132813272        7.2041469559        2.2039009450
 Pt         9.7676039669        7.1950076332        9.1684493514
 Pt        11.0762209105        8.0096253584       -0.1256285826
 Pt        11.1324296010        7.9994971207        6.8402633846
 Pt         9.7266191112        8.8077126296        4.5172359807
 Pt        -5.5479628334        9.6079526486        2.1983010772
 Pt        -5.4922241395        9.5970643071        9.1671681184
 Pt        -4.1836493002       10.4113274226       -0.1242807936
 Pt        -4.1292244850       10.4032861214        6.8393009797
 Pt        -5.5331506569       11.2069326816        4.5159552239
 Pt        -2.7713061781        9.6082276320        2.2078407908
 Pt        -2.7224132390        9.5970951046        9.1757691797
 Pt        -1.4100628746       10.4141753648       -0.1229071121
 Pt        -1.3536732862       10.4036925266        6.8541607904
 Pt        -2.7549107744       11.2044942660        4.5248313263
 Pt        -0.0005699158        9.6086270982        2.2247500182
 Pt         0.0483471578        9.5994892706        9.1949428729
 Pt         1.3672361139       10.4128267693       -0.0926035748
 Pt         1.4209409793       10.4018492066        6.8713086853
 Pt         0.0224567964       11.2006277020        4.5403724568
 Pt         2.7743414577        9.6073022941        2.2492755386
 Pt         2.8208356755        9.6128623838        9.2149606151
 Pt         4.1392614508       10.4083112743       -0.0883208333
 Pt         4.1955192881       10.4008970913        6.8800979691
 Pt         2.7950432717       11.2068839950        4.5546343172
 Pt         5.5482187335        9.6073785834        2.2357528117
 Pt         5.6093554182        9.6085221008        9.1987040438
 Pt         6.9128809334       10.4118763842       -0.1026596958
 Pt         6.9713999324       10.4017859613        6.8513284167
 Pt         5.5639287195       11.2083860287        4.5469424717
 Pt         8.3258556032        9.6080767554        2.2064026530
 Pt         8.3811338162        9.5961293799        9.1726852894
 Pt         9.6892272550       10.4114980687       -0.1319271723
 Pt         9.7445767113       10.4017533607        6.8383207505
 Pt         8.3390088221       11.2064661254        4.5228796991
 Pt        -6.9353436838       12.0095050378        2.1977931238
 Pt        -6.8785097117       12.0003725045        9.1624535174
 Pt        -5.5714817978       12.8156336540       -0.1274394150
 Pt        -5.5153721742       12.8037665990        6.8347781484
 Pt        -6.9196172151       13.6089379233        4.5174851852
 Pt        -4.1598174939       12.0090082073        2.1998983609
 Pt        -4.1040336284       12.0005666181        9.1661290803
 Pt        -2.7953521078       12.8164685625       -0.1249866153
 Pt        -2.7409695530       12.8043769382        6.8417246809
 Pt        -4.1452482856       13.6067666354        4.5155575838
 Pt        -1.3855796663       12.0071860420        2.2099308047
 Pt        -1.3323721133       12.0023168200        9.1796490995
 Pt        -0.0234437563       12.8158138187       -0.1153118270
 Pt         0.0327787071       12.8067430289        6.8514895997
 Pt        -1.3700043357       13.6050523497        4.5241140236
 Pt         1.3875410741       12.0095802623        2.2225023049
 Pt         1.4393682024       12.0052595957        9.1882780359
 Pt         2.7527346199       12.8156481713       -0.1062930675
 Pt         2.8073425767       12.8064253552        6.8586206614
 Pt         1.4033745982       13.6067278309        4.5301489912
 Pt         4.1604949566       12.0121240576        2.2281981343
 Pt         4.2168652117       12.0049841672        9.1929986437
 Pt         5.5264448884       12.8147571616       -0.1032955586
 Pt         5.5820614469       12.8068543451        6.8561314950
 Pt         4.1789122325       13.6118393327        4.5386228959
 Pt         6.9360307371       12.0118746215        2.2166733110
 Pt         6.9950209098       12.0011333290        9.1747743563
 Pt         8.3020456255       12.8157855191       -0.1171780508
 Pt         8.3574236650       12.8063412887        6.8416855891
 Pt         6.9545686361       13.6109372187        4.5301091238
  O         4.5229227629        6.8955284454       11.6948251480
  H         5.4295941544        7.2660939170       11.6515566217
  H         4.6590001247        5.9296244676       11.6501178096
     183
 i =       39, E =    -21650.0147047047
 Pt        -0.0002855339       -0.0021312206        2.2086108050
 Pt         0.0615100351       -0.0175914306        9.1720054195
 Pt         1.3635593373        0.8009959902       -0.1192146987
 Pt         1.4238607200        0.7880550637        6.8417044263
 Pt         0.0205335257        1.5949485156        4.5309818489
 Pt         2.7777152417       -0.0046191384        2.1965715970
 Pt         2.8361982165       -0.0168459089        9.1625866493
 Pt         4.1394517956        0.8006067328       -0.1373960253
 Pt         4.1990025320        0.7878099229        6.8348415233
 Pt         2.7935628509        1.5934644345        4.5187706813
 Pt         5.5503993731       -0.0062550169        2.1961972704
 Pt         5.6109481948       -0.0147557512        9.1662662836
 Pt         6.9138380609        0.8009114647       -0.1283945360
 Pt         6.9717627255        0.7898254681        6.8367947738
 Pt         5.5633686917        1.5912587824        4.5123132584
 Pt         8.3249889982       -0.0056041352        2.2052226896
 Pt         8.3838026621       -0.0115065942        9.1761100035
 Pt         9.6883004203        0.8018842376       -0.1229663307
 Pt         9.7432827625        0.7911004558        6.8392799888
 Pt         8.3381390950        1.5919780087        4.5159592405
 Pt        11.0970088881       -0.0022800398        2.2153565409
 Pt        11.1581512972       -0.0115697094        9.1752714296
 Pt        12.4624701688        0.8015140915       -0.1126206276
 Pt        12.5198520565        0.7925083583        6.8486128904
 Pt        11.1156274502        1.5961562825        4.5263937254
 Pt        13.8716713976       -0.0007462818        2.2193397029
 Pt        13.9336826451       -0.0147880503        9.1743001281
 Pt        15.2367640795        0.8020082616       -0.1094471233
 Pt        15.2974730572        0.7908082104        6.8469731001
 Pt        13.8907939438        1.5977319621        4.5350135482
 Pt        -1.3876926027        2.4013406340        2.2196222612
 Pt        -1.3293332213        2.3840611847        9.1770264758
 Pt        -0.0233049193        3.2058057407       -0.1055879640
 Pt         0.0370946331        3.1930082707        6.8541961266
 Pt        -1.3679530015        3.9997644091        4.5392815807
 Pt         1.3887074415        2.3999286652        2.2146904197
 Pt         1.4470166679        2.3825823458        9.1737369739
 Pt         2.7510581944        3.2050060562       -0.1082545633
 Pt         2.8131018039        3.1881076608        6.8433815209
 Pt         1.4060595889        3.9993975541        4.5420340381
 Pt         4.1641721527        2.3960180232        2.1995171443
 Pt         4.2237424142        2.3849695955        9.1690244003
 Pt         5.5273449985        3.2057929244       -0.1208457245
 Pt         5.5847411169        3.1895854098        6.8325244550
 Pt         4.1790714665        4.0025278894        4.5291719575
 Pt         6.9378907011        2.3976630295        2.1984908676
 Pt         6.9971079300        2.3872622107        9.1652112069
 Pt         8.3007013960        3.2057899509       -0.1317032242
 Pt         8.3566648408        3.1933312257        6.8328950839
 Pt         6.9527269822        3.9966193687        4.5203050529
 Pt         9.7106409133        2.3985998703        2.2006443961
 Pt         9.7712457146        2.3893190075        9.1651012332
 Pt        11.0755236481        3.2044855910       -0.1255095392
 Pt        11.1312157211        3.1945733671        6.8387897606
 Pt         9.7272935337        3.9972026484        4.5160930773
 Pt        12.4848704123        2.4012093217        2.2121446080
 Pt        12.5445239500        2.3878695369        9.1726010983
 Pt        13.8500418716        3.2049854624       -0.1115260361
 Pt        13.9083330250        3.1951000659        6.8498868321
 Pt        12.5037285340        3.9996013068        4.5290631975
 Pt        -2.7739195335        4.8040412582        2.2183877605
 Pt        -2.7203335672        4.7876117504        9.1789841622
 Pt        -1.4102117507        5.6083123149       -0.1050933471
 Pt        -1.3522200726        5.5973204755        6.8588714951
 Pt        -2.7551507113        6.4039914716        4.5366248400
 Pt         0.0006379293        4.8040018402        2.2268181629
 Pt         0.0526353313        4.7848354795        9.1896965595
 Pt         1.3674917435        5.6097742217       -0.0929144687
 Pt         1.4241898663        5.5948842926        6.8719821040
 Pt         0.0203441837        6.3998040125        4.5520226360
 Pt         2.7755129324        4.8034372874        2.2294214098
 Pt         2.8216855756        4.7740392446        9.1860062997
 Pt         4.1390310321        5.6076433199       -0.0954858471
 Pt         4.1987753837        5.5927619576        6.8878847025
 Pt         2.7959728945        6.4026382130        4.5726607580
 Pt         5.5489272531        4.8019601243        2.2182467797
 Pt         5.6174939902        4.7722525529        9.1783692207
 Pt         6.9096656675        5.6089401664       -0.1133353474
 Pt         6.9707089758        5.5959054241        6.8504507130
 Pt         5.5646903505        6.4018516695        4.5599248738
 Pt         8.3241089207        4.8005916371        2.2028743748
 Pt         8.3831225481        4.7902533390        9.1683948263
 Pt         9.6860562517        5.6067860961       -0.1253127702
 Pt         9.7442670012        5.5957776303        6.8354041562
 Pt         8.3403454356        6.3998968665        4.5244445493
 Pt        11.0992990926        4.8021743572        2.2050395451
 Pt        11.1557043889        4.7900415331        9.1673797365
 Pt        12.4621717091        5.6074937766       -0.1173235489
 Pt        12.5192484879        5.5984686668        6.8438424396
 Pt        11.1157567542        6.4035022643        4.5212228898
 Pt        -4.1598406136        7.2048981189        2.2095259939
 Pt        -4.1084610085        7.1911431398        9.1790713557
 Pt        -2.7982253712        8.0105248982       -0.1145174431
 Pt        -2.7421623648        8.0004723995        6.8516309010
 Pt        -4.1431341551        8.8053940119        4.5237676124
 Pt        -1.3861952974        7.2061840731        2.2248986262
 Pt        -1.3374575852        7.1921510223        9.1844640200
 Pt        -0.0221112177        8.0098607019       -0.0944894581
 Pt         0.0347522945        7.9999044752        6.8656749557
 Pt        -1.3638988427        8.8039931054        4.5379390969
 Pt         1.3877455288        7.2066620559        2.2439808946
 Pt         1.4223944135        7.1903125442        9.2075888487
 Pt         2.7521457010        8.0109266622       -0.0785826568
 Pt         2.8177758913        7.9926354171        6.9230604463
 Pt         1.4161686740        8.7978775373        4.5632152291
 Pt         4.1613806969        7.2056893543        2.2490911886
 Pt         4.2098939683        7.1855980610        9.2824613493
 Pt         5.5256335395        8.0099612266       -0.0888362758
 Pt         5.5822463913        7.9950208963        6.9024165347
 Pt         4.1798604784        8.8000297834        4.5807543442
 Pt         6.9359109107        7.2045657983        2.2243714236
 Pt         7.0072368835        7.1900322330        9.1868579413
 Pt         8.2989005443        8.0080144691       -0.1116626847
 Pt         8.3592895011        7.9978772227        6.8383377322
 Pt         6.9466297795        8.8007271311        4.5410750677
 Pt         9.7122864348        7.2036139393        2.2055106957
 Pt         9.7676493728        7.1943201872        9.1653675432
 Pt        11.0753418159        8.0094710398       -0.1232175211
 Pt        11.1330251924        7.9986028397        6.8386941211
 Pt         9.7269025094        8.8070073358        4.5159852088
 Pt        -5.5485767334        9.6080054276        2.1978935120
 Pt        -5.4909151714        9.5956455135        9.1639888425
 Pt        -4.1851704422       10.4107193169       -0.1260888419
 Pt        -4.1282401094       10.4029317623        6.8375994637
 Pt        -5.5325598829       11.2067719030        4.5142307021
 Pt        -2.7720938479        9.6083143012        2.2073505675
 Pt        -2.7197448141        9.5957938740        9.1742834643
 Pt        -1.4111910444       10.4135005026       -0.1223614602
 Pt        -1.3530008845       10.4032716669        6.8520105107
 Pt        -2.7552613766       11.2050653140        4.5228380736
 Pt        -0.0009881265        9.6091181461        2.2243522054
 Pt         0.0525178091        9.5984517778        9.1924880217
 Pt         1.3657489946       10.4135308493       -0.0925527060
 Pt         1.4221602024       10.4009316845        6.8685558411
 Pt         0.0216919180       11.2013854590        4.5389462826
 Pt         2.7740732754        9.6077812578        2.2480066336
 Pt         2.8242461783        9.6103614668        9.2120824042
 Pt         4.1387056304       10.4093713610       -0.0871427839
 Pt         4.1971171007       10.3994956733        6.8795295720
 Pt         2.7950602388       11.2063728320        4.5546990980
 Pt         5.5480073928        9.6074015038        2.2380375713
 Pt         5.6113995604        9.6058933084        9.2010346388
 Pt         6.9119935222       10.4125665185       -0.1010373015
 Pt         6.9719959494       10.4000310094        6.8499476461
 Pt         5.5642350873       11.2072721369        4.5468208102
 Pt         8.3252732781        9.6080721658        2.2065447449
 Pt         8.3825980718        9.5944779238        9.1705653888
 Pt         9.6882906118       10.4120415471       -0.1321163607
 Pt         9.7452786215       10.4004710851        6.8354285407
 Pt         8.3396802550       11.2057789712        4.5216655556
 Pt        -6.9357647318       12.0094876020        2.1980657837
 Pt        -6.8762595573       11.9984931806        9.1610478600
 Pt        -5.5725842149       12.8159170516       -0.1276610243
 Pt        -5.5135813831       12.8033685646        6.8336389209
 Pt        -6.9193413994       13.6087206198        4.5184257786
 Pt        -4.1602275771       12.0089345485        2.1975236752
 Pt        -4.1019127008       11.9991829436        9.1633202050
 Pt        -2.7969918602       12.8164049046       -0.1257575561
 Pt        -2.7393894110       12.8047013667        6.8393224692
 Pt        -4.1450291411       13.6069749540        4.5144377946
 Pt        -1.3860877557       12.0077498220        2.2082028383
 Pt        -1.3293450565       12.0011905600        9.1762535922
 Pt        -0.0245925681       12.8162918449       -0.1155366790
 Pt         0.0345876954       12.8066098614        6.8511355261
 Pt        -1.3696566617       13.6055686219        4.5234329376
 Pt         1.3870833530       12.0099874058        2.2242913284
 Pt         1.4434190915       12.0043391453        9.1861453411
 Pt         2.7514693842       12.8160555489       -0.1043549870
 Pt         2.8089234823       12.8054832501        6.8581295561
 Pt         1.4038990244       13.6069824389        4.5317793503
 Pt         4.1602789640       12.0120886868        2.2297023376
 Pt         4.2216232983       12.0033428666        9.1908892076
 Pt         5.5255091656       12.8153412025       -0.1030617943
 Pt         5.5835013864       12.8055874026        6.8534937756
 Pt         4.1789376148       13.6112169312        4.5376967339
 Pt         6.9355228648       12.0117661862        2.2176206096
 Pt         6.9980552678       11.9986975589        9.1714844938
 Pt         8.3010298197       12.8162551973       -0.1161422542
 Pt         8.3594041264       12.8050064219        6.8410012083
 Pt         6.9551178964       13.6100761139        4.5303760366
  O         4.4875905909        6.8985592813       11.6831226533
  H         5.4002260837        7.2687022319       11.7152111360
  H         4.6374709484        5.9286066122       11.6852188020
     183
 i =       40, E =    -21650.0149328019
 Pt        -0.0003225742       -0.0028548774        2.2131616620
 Pt         0.0622176630       -0.0185750962        9.1763252910
 Pt         1.3627935692        0.8015754977       -0.1161688752
 Pt         1.4247831386        0.7868944826        6.8446326088
 Pt         0.0204979983        1.5937129800        4.5334915253
 Pt         2.7776377934       -0.0045684125        2.1985149616
 Pt         2.8368014775       -0.0177403373        9.1648478468
 Pt         4.1387985090        0.8012367697       -0.1361250856
 Pt         4.1996101288        0.7873233978        6.8348972362
 Pt         2.7937649058        1.5932613423        4.5197233232
 Pt         5.5499220316       -0.0056809677        2.1968481458
 Pt         5.6116998639       -0.0160544808        9.1651729991
 Pt         6.9130123544        0.8014168494       -0.1274764819
 Pt         6.9722258478        0.7892255350        6.8368878613
 Pt         5.5636209913        1.5915015492        4.5115179891
 Pt         8.3244385294       -0.0053274661        2.2065283470
 Pt         8.3850162225       -0.0130931849        9.1779006720
 Pt         9.6873105619        0.8024398956       -0.1209135160
 Pt         9.7438000683        0.7901125087        6.8422711878
 Pt         8.3386715132        1.5917864904        4.5173340169
 Pt        11.0967436040       -0.0027723132        2.2191664650
 Pt        11.1595758027       -0.0129598957        9.1782425155
 Pt        12.4616238739        0.8022677139       -0.1085691688
 Pt        12.5202850525        0.7912876773        6.8516249118
 Pt        11.1160222510        1.5951193669        4.5298269448
 Pt        13.8714894968       -0.0016366730        2.2235067510
 Pt        13.9349885962       -0.0158742589        9.1765938444
 Pt        15.2358900880        0.8027670753       -0.1046137097
 Pt        15.2983377581        0.7894158090        6.8497642831
 Pt        13.8908293227        1.5960956631        4.5385398098
 Pt        -1.3883816743        2.4009070448        2.2233654590
 Pt        -1.3284237845        2.3836655533        9.1785140860
 Pt        -0.0241564391        3.2063389891       -0.1018137647
 Pt         0.0375325739        3.1917916289        6.8551114394
 Pt        -1.3680268782        3.9985526364        4.5417193825
 Pt         1.3883191207        2.3997893531        2.2163371787
 Pt         1.4476893565        2.3816794833        9.1745211052
 Pt         2.7501702892        3.2055827381       -0.1074667173
 Pt         2.8135204520        3.1875148455        6.8422061108
 Pt         1.4059996426        3.9987511113        4.5421384751
 Pt         4.1638241371        2.3963537238        2.1988430831
 Pt         4.2246759906        2.3835501067        9.1668676943
 Pt         5.5263838519        3.2064945271       -0.1210454484
 Pt         5.5856310293        3.1888949053        6.8303920306
 Pt         4.1795071133        4.0029809778        4.5275673620
 Pt         6.9376321459        2.3978401911        2.1977985602
 Pt         6.9983795509        2.3855035553        9.1634629115
 Pt         8.2999295823        3.2063531982       -0.1310517752
 Pt         8.3577787859        3.1924094887        6.8333742413
 Pt         6.9535556454        3.9964853655        4.5191006353
 Pt         9.7106717799        2.3986174695        2.2029605857
 Pt         9.7725308740        2.3879250534        9.1677414646
 Pt        11.0747401141        3.2051246432       -0.1228802982
 Pt        11.1319652390        3.1933432818        6.8416706885
 Pt         9.7279613142        3.9965743000        4.5177538086
 Pt        12.4845759920        2.4008460905        2.2158839160
 Pt        12.5456366705        2.3870194661        9.1758047544
 Pt        13.8490943232        3.2056363667       -0.1076493762
 Pt        13.9085273501        3.1939400850        6.8524623097
 Pt        12.5036981308        3.9983935812        4.5320656871
 Pt        -2.7749477412        4.8038934780        2.2219218601
 Pt        -2.7194658294        4.7866641599        9.1812889864
 Pt        -1.4110705309        5.6089326790       -0.1013286303
 Pt        -1.3517631201        5.5962400303        6.8607410952
 Pt        -2.7553502384        6.4031821703        4.5387451737
 Pt        -0.0000962564        4.8039601491        2.2296429705
 Pt         0.0535774515        4.7841174253        9.1899662750
 Pt         1.3666642625        5.6106175892       -0.0912313890
 Pt         1.4251977995        5.5939922735        6.8713925939
 Pt         0.0202503136        6.3989858679        4.5535391225
 Pt         2.7752379581        4.8034589363        2.2297547608
 Pt         2.8227136711        4.7722819779        9.1847857643
 Pt         4.1382289925        5.6085671017       -0.0951919557
 Pt         4.1998460537        5.5921880742        6.8885207560
 Pt         2.7964914642        6.4023334736        4.5727114917
 Pt         5.5491411793        4.8023118418        2.2171617077
 Pt         5.6193906112        4.7695594824        9.1770939565
 Pt         6.9089581028        5.6098345036       -0.1148166355
 Pt         6.9712688689        5.5950889627        6.8494889469
 Pt         5.5650597393        6.4016357330        4.5598115428
 Pt         8.3241359939        4.8008609985        2.2029127243
 Pt         8.3846946921        4.7885795685        9.1673871029
 Pt         9.6855752144        5.6072705773       -0.1251623295
 Pt         9.7452956482        5.5947771351        6.8355883878
 Pt         8.3410654458        6.3994809675        4.5234624223
 Pt        11.0990951678        4.8022804355        2.2074425953
 Pt        11.1568902794        4.7892746938        9.1692392986
 Pt        12.4614156352        5.6077447303       -0.1158625805
 Pt        12.5197834236        5.5974699359        6.8460840326
 Pt        11.1162093354        6.4030441827        4.5224225136
 Pt        -4.1605381983        7.2050072490        2.2117302554
 Pt        -4.1074308161        7.1904236509        9.1818614827
 Pt        -2.7990428679        8.0107890214       -0.1118676415
 Pt        -2.7418949496        7.9993522962        6.8541072452
 Pt        -4.1427623822        8.8046827108        4.5260544893
 Pt        -1.3866852672        7.2063595386        2.2281814431
 Pt        -1.3359788234        7.1915542404        9.1870781659
 Pt        -0.0228777864        8.0104503517       -0.0914635464
 Pt         0.0360166386        7.9987794324        6.8660912765
 Pt        -1.3637898854        8.8035208289        4.5405618941
 Pt         1.3877148463        7.2066480112        2.2450852810
 Pt         1.4243747898        7.1886850294        9.2069220600
 Pt         2.7512276751        8.0116915712       -0.0784954789
 Pt         2.8193060378        7.9907382966        6.9245048222
 Pt         1.4170244238        8.7969225850        4.5635427135
 Pt         4.1613028580        7.2056333472        2.2490546093
 Pt         4.2144333450        7.1833033139        9.2882596769
 Pt         5.5249414474        8.0109404821       -0.0889315482
 Pt         5.5828825833        7.9938846540        6.9028406934
 Pt         4.1802247504        8.7990246360        4.5806198852
 Pt         6.9359967884        7.2044954128        2.2234029543
 Pt         7.0096561680        7.1878060273        9.1870535939
 Pt         8.2984444001        8.0088579438       -0.1124153807
 Pt         8.3595694984        7.9971295638        6.8368439543
 Pt         6.9466366475        8.7997222826        4.5395781432
 Pt         9.7122351403        7.2037450909        2.2049392499
 Pt         9.7687801483        7.1933793794        9.1640635802
 Pt        11.0746645935        8.0099677510       -0.1225566933
 Pt        11.1334536110        7.9980289719        6.8391181928
 Pt         9.7274585378        8.8064975808        4.5156422568
 Pt        -5.5490884782        9.6078271161        2.1990432221
 Pt        -5.4901871468        9.5945206313        9.1650531823
 Pt        -4.1859904474       10.4108171071       -0.1239736333
 Pt        -4.1275317504       10.4020845309        6.8394907256
 Pt        -5.5319452154       11.2062419080        4.5161454080
 Pt        -2.7724092608        9.6083156489        2.2101934229
 Pt        -2.7184552483        9.5950442869        9.1767976084
 Pt        -1.4123104774       10.4138073319       -0.1200565474
 Pt        -1.3519393358       10.4021345693        6.8535478609
 Pt        -2.7549430528       11.2048516932        4.5243725284
 Pt        -0.0012302724        9.6090764159        2.2266149427
 Pt         0.0544453636        9.5973238884        9.1926635766
 Pt         1.3649909593       10.4142487425       -0.0913261349
 Pt         1.4234483203       10.3994729750        6.8680642895
 Pt         0.0216777153       11.2011620887        4.5401734325
 Pt         2.7743717358        9.6076639262        2.2476975738
 Pt         2.8259752308        9.6082932891        9.2113602818
 Pt         4.1380831342       10.4101191510       -0.0872571628
 Pt         4.1979341121       10.3980211778        6.8794028564
 Pt         2.7952196215       11.2054717677        4.5554845590
 Pt         5.5480350953        9.6073080868        2.2380776548
 Pt         5.6128759062        9.6036507061        9.2003360481
 Pt         6.9115908201       10.4135997355       -0.1008486851
 Pt         6.9725401503       10.3986404321        6.8495769822
 Pt         5.5644750097       11.2057276209        4.5473034262
 Pt         8.3252644898        9.6078736301        2.2058636056
 Pt         8.3836644614        9.5929196877        9.1693635013
 Pt         9.6879011100       10.4128664252       -0.1313710267
 Pt         9.7458322960       10.3993576588        6.8359440641
 Pt         8.3400660539       11.2045375760        4.5227724089
 Pt        -6.9359916985       12.0087423240        2.2004180238
 Pt        -6.8752336614       11.9970304275        9.1635939143
 Pt        -5.5736132914       12.8164924846       -0.1242910127
 Pt        -5.5127345567       12.8026147292        6.8361028539
 Pt        -6.9190899455       13.6079914272        4.5221111836
 Pt        -4.1603909271       12.0088804828        2.2002508497
 Pt        -4.1012278382       11.9981018591        9.1647400159
 Pt        -2.7976905027       12.8169415652       -0.1231836135
 Pt        -2.7391673756       12.8041051067        6.8396063514
 Pt        -4.1446580159       13.6070171700        4.5157840248
 Pt        -1.3862798781       12.0079496628        2.2097408897
 Pt        -1.3281783112       12.0002186832        9.1759749110
 Pt        -0.0253957667       12.8169072910       -0.1136615328
 Pt         0.0349520717       12.8059225657        6.8520806356
 Pt        -1.3693367069       13.6057893464        4.5240782863
 Pt         1.3869173072       12.0101446835        2.2261637007
 Pt         1.4449442852       12.0024021302        9.1866543663
 Pt         2.7506437335       12.8165426616       -0.1023471593
 Pt         2.8095641188       12.8042643027        6.8599888344
 Pt         1.4041034713       13.6066113873        4.5345786985
 Pt         4.1602058718       12.0116172734        2.2307834641
 Pt         4.2231851641       12.0011938776        9.1906447670
 Pt         5.5246772752       12.8162463208       -0.1009324438
 Pt         5.5844680113       12.8041602204        6.8549965632
 Pt         4.1791942225       13.6098096990        4.5408341167
 Pt         6.9352910161       12.0111643289        2.2192720441
 Pt         6.9990757979       11.9969174133        9.1718346975
 Pt         8.3004035121       12.8170750750       -0.1135137229
 Pt         8.3605601766       12.8038129446        6.8435271303
 Pt         6.9554782049       13.6085255715        4.5333767815
  O         4.4726675505        6.9067314756       11.6727516315
  H         5.3814656259        7.2771118044       11.7266712924
  H         4.6123323324        5.9369571020       11.6670009680
     183
 i =       41, E =    -21650.0117227710
 Pt        -0.0007253078       -0.0099383772        2.2578369778
 Pt         0.0695688023       -0.0285018917        9.2187600235
 Pt         1.3551552268        0.8073221419       -0.0862217749
 Pt         1.4340538984        0.7753421131        6.8734634229
 Pt         0.0203118106        1.5815477186        4.5583827806
 Pt         2.7768281666       -0.0041238711        2.2175459507
 Pt         2.8431115016       -0.0268291099        9.1871837983
 Pt         4.1321935199        0.8074505164       -0.1237812972
 Pt         4.2057829871        0.7823425389        6.8356339143
 Pt         2.7958664440        1.5911927596        4.5291428534
 Pt         5.5452303422       -0.0001272556        2.2031598629
 Pt         5.6195292495       -0.0290767159        9.1547533575
 Pt         6.9047376383        0.8064272014       -0.1185094293
 Pt         6.9770085036        0.7831637492        6.8380045732
 Pt         5.5661839741        1.5938395850        4.5037770198
 Pt         8.3190600253       -0.0026144705        2.2194346679
 Pt         8.3974028420       -0.0288451406        9.1956620697
 Pt         9.6774174917        0.8079429295       -0.1006415274
 Pt         9.7491168360        0.7803121596        6.8717779442
 Pt         8.3439482264        1.5898603184        4.5309601806
 Pt        11.0940992412       -0.0075772521        2.2565293383
 Pt        11.1739349323       -0.0267731756        9.2075337896
 Pt        12.4531616635        0.8096951574       -0.0688692926
 Pt        12.5247805649        0.7791826332        6.8813235798
 Pt        11.1199480210        1.5848882415        4.5636702102
 Pt        13.8696456170       -0.0103249773        2.2643555897
 Pt        13.9481831165       -0.0267466838        9.1992131727
 Pt        15.2272367729        0.8102537796       -0.0572474728
 Pt        15.3070508005        0.7756243470        6.8772589618
 Pt        13.8912917197        1.5800326255        4.5732306721
 Pt        -1.3951422644        2.3966628472        2.2601564137
 Pt        -1.3191587310        2.3794234955        9.1933551151
 Pt        -0.0326291198        3.2116152222       -0.0648153136
 Pt         0.0420547755        3.1797192700        6.8643413816
 Pt        -1.3686748432        3.9866439123        4.5658543889
 Pt         1.3844822382        2.3983925536        2.2326104764
 Pt         1.4546339877        2.3725023593        9.1824627167
 Pt         2.7413589864        3.2113277352       -0.0996610364
 Pt         2.8178424869        3.1814801079        6.8309439291
 Pt         1.4054941723        3.9923591173        4.5433576780
 Pt         4.1603805205        2.3996040732        2.1923050954
 Pt         4.2341276259        2.3693097369        9.1461640800
 Pt         5.5167841651        3.2134749453       -0.1229754641
 Pt         5.5945059538        3.1819075626        6.8097842094
 Pt         4.1838385136        4.0073690978        4.5120500721
 Pt         6.9351139548        2.3995928531        2.1911277911
 Pt         7.0111337180        2.3679572564        9.1467461057
 Pt         8.2921595121        3.2119447470       -0.1246433524
 Pt         8.3688913273        3.1832011527        6.8383956089
 Pt         6.9617476915        3.9951314147        4.5075953228
 Pt         9.7109414871        2.3987634562        2.2257832840
 Pt         9.7855072637        2.3740472342        9.1938433784
 Pt        11.0667929532        3.2114294374       -0.0970667593
 Pt        11.1395300258        3.1811850087        6.8700911263
 Pt         9.7345756920        3.9903339289        4.5341516651
 Pt        12.4816512969        2.3972853045        2.2525363379
 Pt        12.5568995518        2.3784111197        9.2073570226
 Pt        13.8396490426        3.2120700279       -0.0697149688
 Pt        13.9106894006        3.1824436925        6.8778975129
 Pt        12.5035337173        3.9865052392        4.5616978689
 Pt        -2.7850022157        4.8024447648        2.2565907129
 Pt        -2.7106829560        4.7771057588        9.2040649148
 Pt        -1.4196452738        5.6150441997       -0.0644096947
 Pt        -1.3471033454        5.5855707694        6.8792731218
 Pt        -2.7571851945        6.3952166997        4.5597683779
 Pt        -0.0073198676        4.8035442146        2.2573346500
 Pt         0.0630759699        4.7767881454        9.1928403946
 Pt         1.3584639410        5.6189226634       -0.0746258455
 Pt         1.4351693771        5.5850472196        6.8658781551
 Pt         0.0194147569        6.3909347541        4.5684413680
 Pt         2.7725189026        4.8036632217        2.2331895461
 Pt         2.8330584725        4.7546821622        9.1732238178
 Pt         4.1302499097        5.6176911469       -0.0921523034
 Pt         4.2104857084        5.5863294139        6.8952427476
 Pt         2.8016391029        6.3992827352        4.5735856956
 Pt         5.5512104908        4.8057189263        2.2068356492
 Pt         5.6382501512        4.7429077620        9.1650765435
 Pt         6.9017874404        5.6186582709       -0.1289988942
 Pt         6.9769447703        5.5868604670        6.8404690337
 Pt         5.5687101105        6.3994449825        4.5591358542
 Pt         8.3243950707        4.8034523020        2.2034039041
 Pt         8.4003884159        4.7718895382        9.1579834410
 Pt         9.6806151809        5.6120993363       -0.1235719594
 Pt         9.7555027428        5.5848232459        6.8376961740
 Pt         8.3481420500        6.3952573292        4.5141192263
 Pt        11.0970771477        4.8032756565        2.2309864499
 Pt        11.1688172504        4.7814971952        9.1876874560
 Pt        12.4538361441        5.6102918547       -0.1013750233
 Pt        12.5252566552        5.5875663156        6.8682690406
 Pt        11.1207008230        6.3984195588        4.5343401856
 Pt        -4.1673951638        7.2060587563        2.2334569979
 Pt        -4.0969996878        7.1831152517        9.2093497638
 Pt        -2.8072196714        8.0134435699       -0.0858509627
 Pt        -2.7390852481        7.9882812567        6.8785146861
 Pt        -4.1390917822        8.7976747330        4.5484633583
 Pt        -1.3915483158        7.2080826873        2.2603416871
 Pt        -1.3212678600        7.1854526054        9.2127824015
 Pt        -0.0305506087        8.0163033251       -0.0618217656
 Pt         0.0484541306        7.9876218271        6.8703616786
 Pt        -1.3626373018        8.7988575236        4.5663292935
 Pt         1.3873544820        7.2065408371        2.2559986011
 Pt         1.4439570075        7.1724357870        9.2006139246
 Pt         2.7421352835        8.0192630729       -0.0774799502
 Pt         2.8342812831        7.9720781398        6.9389995248
 Pt         1.4254241345        8.7875216886        4.5669064431
 Pt         4.1605140601        7.2050743834        2.2489406723
 Pt         4.2589490090        7.1608664933        9.3448350548
 Pt         5.5180143893        8.0205788048       -0.0896147665
 Pt         5.5892292769        7.9825496740        6.9076241859
 Pt         4.1838121868        8.7891003963        4.5797499569
 Pt         6.9368074711        7.2037855841        2.2142783570
 Pt         7.0338134210        7.1658098106        9.1892098441
 Pt         8.2937776275        8.0171672713       -0.1196462056
 Pt         8.3625402284        7.9896206478        6.8225281706
 Pt         6.9467016675        8.7897841947        4.5252672236
 Pt         9.7116977357        7.2049836346        2.1995099383
 Pt         9.7802854686        7.1839218288        9.1517010997
 Pt        11.0678394363        8.0148815662       -0.1161159354
 Pt        11.1378934602        7.9922077514        6.8435147636
 Pt         9.7328713698        8.8013839892        4.5124721171
 Pt        -5.5541006147        9.6060644450        2.2102210996
 Pt        -5.4826185156        9.5832841191        9.1756563889
 Pt        -4.1941922148       10.4118441289       -0.1033572257
 Pt        -4.1203897115       10.3936235489        6.8580535780
 Pt        -5.5259284719       11.2009613535        4.5348697445
 Pt        -2.7755727495        9.6083410217        2.2380950323
 Pt        -2.7055151995        9.5874347852        9.2015179615
 Pt        -1.4235055556       10.4168967694       -0.0975243364
 Pt        -1.3414447467       10.3909109347        6.8686851812
 Pt        -2.7517686897       11.2027059051        4.5394450386
 Pt        -0.0036632719        9.6087046331        2.2486853033
 Pt         0.0735452464        9.5860195625        9.1945557301
 Pt         1.3574067966       10.4213339320       -0.0793037965
 Pt         1.4361239280       10.3850911825        6.8634926633
 Pt         0.0216470334       11.1988686982        4.5522885937
 Pt         2.7771928165        9.6065260873        2.2449284675
 Pt         2.8431192033        9.5879743622        9.2046323220
 Pt         4.1318182704       10.4174878447       -0.0882106158
 Pt         4.2060450368       10.3835001565        6.8784534080
 Pt         2.7968436490       11.1966045298        4.5633100047
 Pt         5.5482727878        9.6063784633        2.2387002824
 Pt         5.6277397347        9.5816722237        9.1938468595
 Pt         6.9074620423       10.4237586013       -0.0988427678
 Pt         6.9780698989       10.3849175713        6.8462216697
 Pt         5.5668392883       11.1905965867        4.5522730655
 Pt         8.3251633285        9.6059133253        2.1993235279
 Pt         8.3945306906        9.5775207249        9.1579617987
 Pt         9.6839035417       10.4209995762       -0.1241940627
 Pt         9.7514975303       10.3883562459        6.8412005980
 Pt         8.3438693914       11.1923076389        4.5337329672
 Pt        -6.9382345083       12.0014654748        2.2233853490
 Pt        -6.8647600851       11.9824969170        9.1886777883
 Pt        -5.5838544484       12.8221702240       -0.0914672815
 Pt        -5.5042190666       12.7950433127        6.8603244934
 Pt        -6.9164826110       13.6007321583        4.5581794615
 Pt        -4.1620523701       12.0083191223        2.2268692293
 Pt        -4.0940615417       11.9872637374        9.1787331459
 Pt        -2.8047430733       12.8222099724       -0.0981126855
 Pt        -2.7367413550       12.7980821151        6.8425274191
 Pt        -4.1409529860       13.6073637335        4.5289698865
 Pt        -1.3882347307       12.0098830522        2.2249200987
 Pt        -1.3163280028       11.9904753548        9.1734827805
 Pt        -0.0334378318       12.8229650576       -0.0952456854
 Pt         0.0387308744       12.7990716565        6.8615569458
 Pt        -1.3661315599       13.6078999584        4.5304903707
 Pt         1.3852195793       12.0116691016        2.2445105255
 Pt         1.4602331353       11.9832328607        9.1919492630
 Pt         2.7423893979       12.8214297163       -0.0825652282
 Pt         2.8160165024       12.7922173857        6.8784373197
 Pt         1.4061383667       13.6028771785        4.5621963650
 Pt         4.1594221606       12.0070194188        2.2415102932
 Pt         4.2387693476       11.9800439837        9.1886674920
 Pt         5.5164066964       12.8251866578       -0.0799244724
 Pt         5.5941423349       12.7900659165        6.8699616717
 Pt         4.1817449573       13.5959733630        4.5717176851
 Pt         6.9330202422       12.0052944033        2.2355400346
 Pt         7.0094666982       11.9793479384        9.1755730729
 Pt         8.2941534515       12.8251845202       -0.0877438344
 Pt         8.3721694705       12.7919807439        6.8684765891
 Pt         6.9590853896       13.5932575320        4.5629848770
  O         4.3216509020        6.9880250494       11.5681795527
  H         5.1928785160        7.3608443891       11.8418129657
  H         4.3623323324        6.0199921289       11.4882759695
     183
 i =       42, E =    -21650.0152910130
 Pt        -0.0004674789       -0.0048128146        2.2233547864
 Pt         0.0635376884       -0.0208494134        9.1864113865
 Pt         1.3608025360        0.8029404362       -0.1084032515
 Pt         1.4264371996        0.7842096326        6.8509976940
 Pt         0.0207343626        1.5908440536        4.5389707785
 Pt         2.7769470423       -0.0044176395        2.2039407563
 Pt         2.8377093715       -0.0203586643        9.1702582203
 Pt         4.1366247982        0.8025227287       -0.1331739568
 Pt         4.2004446705        0.7860534359        6.8351213412
 Pt         2.7944921391        1.5931215774        4.5216576023
 Pt         5.5486075584       -0.0040771106        2.1982750701
 Pt         5.6135019111       -0.0199551489        9.1630332763
 Pt         6.9107994806        0.8025370379       -0.1258408666
 Pt         6.9734260018        0.7874570690        6.8370702143
 Pt         5.5643343902        1.5928673018        4.5094131321
 Pt         8.3232357203       -0.0042740526        2.2099262138
 Pt         8.3886839340       -0.0176139928        9.1816447315
 Pt         9.6849715483        0.8037057896       -0.1156190110
 Pt         9.7452492477        0.7877583566        6.8493625023
 Pt         8.3401643070        1.5917911876        4.5211157580
 Pt        11.0961621487       -0.0039070753        2.2277712604
 Pt        11.1631606502       -0.0165832039        9.1852142898
 Pt        12.4594194155        0.8040619341       -0.0996403773
 Pt        12.5214819815        0.7881940641        6.8587262422
 Pt        11.1167627164        1.5926217278        4.5382081262
 Pt        13.8709725351       -0.0038782103        2.2322286346
 Pt        13.9377326429       -0.0184213304        9.1823635800
 Pt        15.2336702615        0.8046061788       -0.0940153244
 Pt        15.3002397704        0.7859546704        6.8559117884
 Pt        13.8911584415        1.5919790363        4.5464020922
 Pt        -1.3900179677        2.3997255116        2.2315816709
 Pt        -1.3267328185        2.3824374564        9.1825064186
 Pt        -0.0262057032        3.2077673273       -0.0940485546
 Pt         0.0383559082        3.1888405861        6.8570663465
 Pt        -1.3684798186        3.9954975939        4.5472934227
 Pt         1.3871553023        2.3994509395        2.2201446195
 Pt         1.4488623710        2.3792378947        9.1758286102
 Pt         2.7478915698        3.2070986450       -0.1065537333
 Pt         2.8143093076        3.1862132070        6.8398316018
 Pt         1.4056866141        3.9973314988        4.5423556482
 Pt         4.1625740851        2.3977181371        2.1970743014
 Pt         4.2262794036        2.3791982705        9.1626487223
 Pt         5.5236928847        3.2083243849       -0.1216269058
 Pt         5.5873776910        3.1867258243        6.8257632412
 Pt         4.1803293541        4.0044853913        4.5243008778
 Pt         6.9370762362        2.3987801210        2.1964798263
 Pt         7.0014043440        2.3795920772        9.1604991231
 Pt         8.2976813736        3.2078543193       -0.1288408799
 Pt         8.3608260819        3.1900346308        6.8360146090
 Pt         6.9559186394        3.9965198306        4.5169567263
 Pt         9.7108090025        2.3986922303        2.2087783431
 Pt         9.7760034621        2.3839062156        9.1747119180
 Pt        11.0725731322        3.2067621269       -0.1167179303
 Pt        11.1339670990        3.1904848238        6.8489854581
 Pt         9.7299517690        3.9952111707        4.5225494167
 Pt        12.4838402724        2.3997768329        2.2239508481
 Pt        12.5482131984        2.3846103164        9.1844655464
 Pt        13.8466502579        3.2073902694       -0.0993963508
 Pt        13.9090350398        3.1909962886        6.8588968130
 Pt        12.5037533609        3.9952332161        4.5391102809
 Pt        -2.7775452340        4.8034172607        2.2294222977
 Pt        -2.7174178504        4.7847086022        9.1866096211
 Pt        -1.4131423535        5.6103940242       -0.0927340827
 Pt        -1.3508791964        5.5938626615        6.8648878708
 Pt        -2.7556360449        6.4011436360        4.5432824677
 Pt        -0.0020290672        4.8037613865        2.2350286380
 Pt         0.0557747034        4.7824679188        9.1899174114
 Pt         1.3648734436        5.6127689768       -0.0878432397
 Pt         1.4272495184        5.5915941073        6.8709143426
 Pt         0.0200200862        6.3971132656        4.5561781399
 Pt         2.7743621001        4.8036577522        2.2306519361
 Pt         2.8262552072        4.7678668413        9.1843934330
 Pt         4.1363027422        5.6109220292       -0.0939279071
 Pt         4.2023399714        5.5902550178        6.8923941934
 Pt         2.7978362211        6.4015376526        4.5742679137
 Pt         5.5498161311        4.8032971267        2.2159424869
 Pt         5.6246453766        4.7626556151        9.1751172103
 Pt         6.9066349392        5.6120982471       -0.1167699623
 Pt         6.9731733957        5.5924388114        6.8481947472
 Pt         5.5656690228        6.4010822711        4.5608394561
 Pt         8.3246392893        4.8017888209        2.2032209732
 Pt         8.3893766453        4.7835183594        9.1673485315
 Pt         9.6839844906        5.6086746839       -0.1251686286
 Pt         9.7477829946        5.5925174580        6.8377662631
 Pt         8.3428559828        6.3983654061        4.5220758296
 Pt        11.0985184536        4.8025122753        2.2125960636
 Pt        11.1603097816        4.7870355828        9.1743322160
 Pt        12.4593925933        5.6085633219       -0.1121825844
 Pt        12.5209012400        5.5952681445        6.8508032315
 Pt        11.1171616064        6.4017182339        4.5254552140
 Pt        -4.1624293068        7.2054208339        2.2163671120
 Pt        -4.1038574563        7.1890187375        9.1874565908
 Pt        -2.8010637311        8.0116747081       -0.1052464219
 Pt        -2.7409301032        7.9967231004        6.8590823278
 Pt        -4.1421290129        8.8029385150        4.5310114838
 Pt        -1.3881825079        7.2068407429        2.2347773321
 Pt        -1.3321323395        7.1904587746        9.1920583396
 Pt        -0.0249328819        8.0121166817       -0.0848195984
 Pt         0.0395516258        7.9955561088        6.8670272000
 Pt        -1.3631151148        8.8023319340        4.5465478333
 Pt         1.3875198189        7.2064850367        2.2478403641
 Pt         1.4300616993        7.1841620420        9.2066703454
 Pt         2.7489247264        8.0135825529       -0.0786149655
 Pt         2.8227352787        7.9863365064        6.9284840243
 Pt         1.4193565250        8.7945176857        4.5645445814
 Pt         4.1610157819        7.2055149543        2.2490780612
 Pt         4.2267948489        7.1814752578        9.2946758112
 Pt         5.5233101418        8.0132734991       -0.0886462330
 Pt         5.5851319794        7.9905220831        6.9047512269
 Pt         4.1808408108        8.7964874541        4.5810280354
 Pt         6.9363317841        7.2042789531        2.2223750050
 Pt         7.0181882029        7.1822787004        9.1867504086
 Pt         8.2971280674        8.0109215891       -0.1140228516
 Pt         8.3606147930        7.9955889798        6.8340878426
 Pt         6.9464228394        8.7973083962        4.5361976366
 Pt         9.7121990917        7.2040215082        2.2033666678
 Pt         9.7733279580        7.1909611659        9.1633985298
 Pt        11.0730068005        8.0114181348       -0.1220117289
 Pt        11.1342241546        7.9964453051        6.8407934797
 Pt         9.7281765943        8.8049476089        4.5155763538
 Pt        -5.5503470416        9.6073258322        2.2015005624
 Pt        -5.4878105688        9.5920308433        9.1680500602
 Pt        -4.1878431703       10.4114418367       -0.1189854261
 Pt        -4.1257249785       10.3996016001        6.8437702168
 Pt        -5.5308160499       11.2046597885        4.5207714073
 Pt        -2.7733455777        9.6084730438        2.2165170694
 Pt        -2.7152095047        9.5933282945        9.1822829737
 Pt        -1.4151640249       10.4147540202       -0.1157766899
 Pt        -1.3494405796       10.3989580261        6.8565217174
 Pt        -2.7540556340       11.2041855850        4.5279594657
 Pt        -0.0016301541        9.6089558283        2.2309814740
 Pt         0.0588392164        9.5941095634        9.1917126707
 Pt         1.3626236674       10.4158520576       -0.0890319614
 Pt         1.4268412794       10.3955112379        6.8667193702
 Pt         0.0218884748       11.2004512091        4.5424672014
 Pt         2.7747619936        9.6073555148        2.2470393051
 Pt         2.8303094946        9.6034966226        9.2107951748
 Pt         4.1363335441       10.4118772527       -0.0882279664
 Pt         4.1998412386       10.3944963087        6.8791115214
 Pt         2.7956876107       11.2033482261        4.5562134656
 Pt         5.5480206427        9.6069638476        2.2381781449
 Pt         5.6176136333        9.5989860395        9.1986373635
 Pt         6.9105823087       10.4162895207       -0.1009492416
 Pt         6.9740922771       10.3956320322        6.8495360816
 Pt         5.5648182516       11.2023005550        4.5486377535
 Pt         8.3252973071        9.6073283533        2.2041830795
 Pt         8.3870816353        9.5897465725        9.1684502573
 Pt         9.6870925380       10.4152347901       -0.1308160933
 Pt         9.7472516189       10.3970814710        6.8381188840
 Pt         8.3409266667       11.2014106081        4.5256552072
 Pt        -6.9366769645       12.0071433132        2.2060191010
 Pt        -6.8730991401       11.9938551372        9.1696767052
 Pt        -5.5760256540       12.8178677061       -0.1163815357
 Pt        -5.5109134378       12.8006246919        6.8417909284
 Pt        -6.9180977190       13.6061950170        4.5307005808
 Pt        -4.1610591632       12.0088802181        2.2069895478
 Pt        -4.0995707523       11.9953413683        9.1680692281
 Pt        -2.7993300293       12.8180737788       -0.1179063271
 Pt        -2.7385335357       12.8022461431        6.8400667922
 Pt        -4.1436309307       13.6074717546        4.5188255581
 Pt        -1.3869573299       12.0085048338        2.2132101305
 Pt        -1.3253123977       11.9977344372        9.1751600082
 Pt        -0.0272933631       12.8182847799       -0.1093069735
 Pt         0.0359257593       12.8039827129        6.8535916868
 Pt        -1.3685513143       13.6067437380        4.5251517467
 Pt         1.3865005225       12.0105635826        2.2297836272
 Pt         1.4482443976       11.9972089575        9.1866258907
 Pt         2.7485022687       12.8178206363       -0.0977480202
 Pt         2.8111419639       12.8013362816        6.8642480910
 Pt         1.4045342915       13.6057833871        4.5406389450
 Pt         4.1600297469       12.0104751161        2.2326247261
 Pt         4.2261783526       11.9959917284        9.1906961089
 Pt         5.5226191610       12.8185078325       -0.0962613579
 Pt         5.5869244332       12.8007116030        6.8591963404
 Pt         4.1798605748       13.6062362139        4.5481587140
 Pt         6.9348404939       12.0097281926        2.2228399899
 Pt         7.0014484039       11.9932962819        9.1744084809
 Pt         8.2989242012       12.8192069692       -0.1072874827
 Pt         8.3630270897       12.8010378190        6.8498976277
 Pt         6.9563525286       13.6046132204        4.5400901186
  O         4.4400145892        6.9291873126       11.6486001048
  H         5.3354454095        7.2920987688       11.7482420199
  H         4.5522368272        5.9595311900       11.6307984395
     183
 i =       43, E =    -21650.0153826444
 Pt        -0.0007550963       -0.0047580080        2.2231475130
 Pt         0.0630979021       -0.0212669404        9.1873822768
 Pt         1.3608124741        0.8032340474       -0.1081177997
 Pt         1.4265059330        0.7838932782        6.8516338955
 Pt         0.0202962465        1.5906123351        4.5393722873
 Pt         2.7768294825       -0.0043692182        2.2046823935
 Pt         2.8371991102       -0.0206646423        9.1710905680
 Pt         4.1364588262        0.8026625566       -0.1330642679
 Pt         4.2004369562        0.7858706976        6.8353451109
 Pt         2.7943543500        1.5934005759        4.5220779020
 Pt         5.5484130466       -0.0038771803        2.1982360822
 Pt         5.6131357150       -0.0205111301        9.1630661694
 Pt         6.9106481312        0.8027698880       -0.1254401678
 Pt         6.9734252145        0.7871371018        6.8375045100
 Pt         5.5643516430        1.5931436726        4.5096454904
 Pt         8.3229727350       -0.0040484532        2.2104036564
 Pt         8.3884103338       -0.0183669763        9.1821938729
 Pt         9.6849537881        0.8039251880       -0.1150640866
 Pt         9.7454818463        0.7872825646        6.8507554871
 Pt         8.3401119367        1.5920140614        4.5219646929
 Pt        11.0960318700       -0.0037017648        2.2280375021
 Pt        11.1630396814       -0.0172493959        9.1866075606
 Pt        12.4593543483        0.8042515457       -0.0995074634
 Pt        12.5215239293        0.7878296988        6.8594230404
 Pt        11.1168125024        1.5924621703        4.5398145279
 Pt        13.8707806246       -0.0038207056        2.2328247924
 Pt        13.9375727634       -0.0188279820        9.1829507417
 Pt        15.2335300277        0.8049518226       -0.0938749659
 Pt        15.3002148184        0.7855430556        6.8565396989
 Pt        13.8908273871        1.5917286884        4.5470805684
 Pt        -1.3903660971        2.3996410413        2.2321083247
 Pt        -1.3270251069        2.3821418474        9.1828764861
 Pt        -0.0262991811        3.2080097766       -0.0939372091
 Pt         0.0380628398        3.1884756506        6.8573182502
 Pt        -1.3689255009        3.9952054537        4.5473037935
 Pt         1.3868302160        2.3995752528        2.2201776571
 Pt         1.4485570215        2.3790292551        9.1764915800
 Pt         2.7476912547        3.2073022056       -0.1065247395
 Pt         2.8139305996        3.1860001849        6.8401623491
 Pt         1.4053855723        3.9974115684        4.5421135241
 Pt         4.1623598117        2.3978594672        2.1972656850
 Pt         4.2261573440        2.3788763261        9.1629757103
 Pt         5.5234069809        3.2084547594       -0.1212960724
 Pt         5.5874869006        3.1866184938        6.8264306427
 Pt         4.1801396071        4.0044704074        4.5246728763
 Pt         6.9369865346        2.3988465669        2.1968640842
 Pt         7.0011845290        2.3790984414        9.1611140207
 Pt         8.2975494582        3.2079368818       -0.1279871268
 Pt         8.3608714244        3.1897119301        6.8369111902
 Pt         6.9559332732        3.9966766536        4.5176753082
 Pt         9.7108590386        2.3986489356        2.2096258207
 Pt         9.7757843600        2.3832727475        9.1760725848
 Pt        11.0724163649        3.2069365015       -0.1159302066
 Pt        11.1342763395        3.1901408227        6.8506256476
 Pt         9.7300141789        3.9950923487        4.5236269535
 Pt        12.4837551576        2.3996121853        2.2241875932
 Pt        12.5479566674        2.3840427508        9.1855543228
 Pt        13.8465722565        3.2075002504       -0.0991478365
 Pt        13.9088786630        3.1906692520        6.8594728070
 Pt        12.5036168835        3.9949851395        4.5397608025
 Pt        -2.7778389545        4.8033085171        2.2297147081
 Pt        -2.7175355064        4.7845618718        9.1867046504
 Pt        -1.4130731129        5.6104701724       -0.0925657503
 Pt        -1.3513472447        5.5934739353        6.8646319100
 Pt        -2.7561801018        6.4010095540        4.5435567490
 Pt        -0.0023678246        4.8037494420        2.2351550717
 Pt         0.0560486826        4.7822548290        9.1898297662
 Pt         1.3648180435        5.6129463720       -0.0880779485
 Pt         1.4274947222        5.5913321393        6.8706737736
 Pt         0.0199109151        6.3969508571        4.5561064482
 Pt         2.7741063141        4.8037415806        2.2304783271
 Pt         2.8264176538        4.7678364401        9.1840207543
 Pt         4.1361690135        5.6111730236       -0.0938762874
 Pt         4.2024927936        5.5898944002        6.8915147070
 Pt         2.7972987115        6.4014650637        4.5736656809
 Pt         5.5497013321        4.8033036376        2.2161356753
 Pt         5.6248590868        4.7622845964        9.1749371361
 Pt         6.9066340994        5.6123306255       -0.1164263529
 Pt         6.9730532573        5.5922135105        6.8484797315
 Pt         5.5655318204        6.4009565467        4.5606309185
 Pt         8.3247213155        4.8017249532        2.2037585465
 Pt         8.3895230490        4.7828590536        9.1680336523
 Pt         9.6838002455        5.6088606249       -0.1246321623
 Pt         9.7478596001        5.5922477533        6.8383883418
 Pt         8.3426416488        6.3982116939        4.5223869594
 Pt        11.0984368949        4.8022914648        2.2137024576
 Pt        11.1604498118        4.7866899863        9.1751989388
 Pt        12.4592385955        5.6086609943       -0.1119233265
 Pt        12.5207146510        5.5950224490        6.8515773922
 Pt        11.1171111612        6.4015662302        4.5258894054
 Pt        -4.1628027699        7.2053821894        2.2162265074
 Pt        -4.1037697762        7.1887959508        9.1876948200
 Pt        -2.8011527076        8.0117664704       -0.1052208485
 Pt        -2.7412122578        7.9966148338        6.8590327939
 Pt        -4.1422718908        8.8027776991        4.5312288225
 Pt        -1.3884179976        7.2068437222        2.2350269603
 Pt        -1.3315452815        7.1903285954        9.1922657672
 Pt        -0.0250423190        8.0122100531       -0.0854091052
 Pt         0.0393856055        7.9952181426        6.8665215032
 Pt        -1.3634909913        8.8023678245        4.5458295361
 Pt         1.3872051173        7.2064843425        2.2468283861
 Pt         1.4306027811        7.1839632656        9.2056068828
 Pt         2.7489807103        8.0138393274       -0.0792990024
 Pt         2.8225438093        7.9862454774        6.9267510642
 Pt         1.4186689221        8.7946742962        4.5630113983
 Pt         4.1608393922        7.2055485285        2.2488001959
 Pt         4.2284620912        7.1803623489        9.2951028562
 Pt         5.5233358965        8.0136996161       -0.0891617784
 Pt         5.5849804050        7.9906683679        6.9034951568
 Pt         4.1804767545        8.7964980995        4.5796827844
 Pt         6.9362447287        7.2044142936        2.2219414497
 Pt         7.0190446883        7.1818164718        9.1859651425
 Pt         8.2971429130        8.0112830021       -0.1147283042
 Pt         8.3603093845        7.9953554641        6.8342827106
 Pt         6.9460851026        8.7971498236        4.5357628994
 Pt         9.7121487742        7.2041276338        2.2033213127
 Pt         9.7736279980        7.1905776795        9.1637546490
 Pt        11.0727794265        8.0116373328       -0.1220125132
 Pt        11.1343705589        7.9963808775        6.8410802521
 Pt         9.7280278838        8.8046844879        4.5155543138
 Pt        -5.5505027487        9.6074251860        2.2015600884
 Pt        -5.4878729434        9.5918907349        9.1683093958
 Pt        -4.1881980615       10.4116548596       -0.1190598557
 Pt        -4.1254392442       10.3993976373        6.8440542324
 Pt        -5.5308930996       11.2045011371        4.5210304821
 Pt        -2.7736678489        9.6088189283        2.2161871197
 Pt        -2.7152951148        9.5928859496        9.1822654689
 Pt        -1.4151204632       10.4148822713       -0.1161542406
 Pt        -1.3496729566       10.3989336953        6.8559090337
 Pt        -2.7543221096       11.2043013176        4.5278529134
 Pt        -0.0020726918        9.6091396368        2.2304504556
 Pt         0.0592526180        9.5935477164        9.1910585515
 Pt         1.3625395766       10.4160920724       -0.0898161673
 Pt         1.4265446203       10.3955387906        6.8656125647
 Pt         0.0214694853       11.2007280763        4.5416505022
 Pt         2.7745529007        9.6075535172        2.2457005021
 Pt         2.8306580172        9.6029915251        9.2093238477
 Pt         4.1364471916       10.4122621841       -0.0888857963
 Pt         4.2002312844       10.3942654006        6.8782361420
 Pt         2.7953594067       11.2033039458        4.5558173403
 Pt         5.5478380622        9.6070843509        2.2371958191
 Pt         5.6184359498        9.5991488984        9.1979930840
 Pt         6.9105698539       10.4167317827       -0.1014261777
 Pt         6.9740961492       10.3955394654        6.8489545077
 Pt         5.5646572383       11.2019861099        4.5478761906
 Pt         8.3252149158        9.6074580082        2.2039456490
 Pt         8.3874113855        9.5895434646        9.1683256685
 Pt         9.6870936747       10.4154885660       -0.1310782787
 Pt         9.7475264145       10.3970095141        6.8382068804
 Pt         8.3406067343       11.2011991673        4.5257942201
 Pt        -6.9367478791       12.0070526443        2.2065490196
 Pt        -6.8735458629       11.9937268282        9.1704418520
 Pt        -5.5760751305       12.8181149891       -0.1163197460
 Pt        -5.5106483537       12.8003745970        6.8423791668
 Pt        -6.9180356812       13.6058597087        4.5312701153
 Pt        -4.1612247100       12.0090640439        2.2073102340
 Pt        -4.0998228212       11.9950893026        9.1680792000
 Pt        -2.7996136612       12.8182742564       -0.1177825799
 Pt        -2.7385871202       12.8021080381        6.8398851681
 Pt        -4.1436090246       13.6075068470        4.5191333429
 Pt        -1.3872663564       12.0088713507        2.2126819251
 Pt        -1.3252244814       11.9973363316        9.1747082742
 Pt        -0.0274605583       12.8185441318       -0.1096107008
 Pt         0.0356312675       12.8038300030        6.8532726151
 Pt        -1.3687769171       13.6068973095        4.5252792755
 Pt         1.3861804692       12.0107356132        2.2292086511
 Pt         1.4482538329       11.9965428176        9.1860790396
 Pt         2.7484940921       12.8181668786       -0.0977163589
 Pt         2.8109781184       12.8011333957        6.8639220141
 Pt         1.4042285305       13.6058924657        4.5405306292
 Pt         4.1598544917       12.0105657909        2.2324146826
 Pt         4.2264158650       11.9956621440        9.1904915631
 Pt         5.5225943572       12.8188370572       -0.0964689739
 Pt         5.5867723967       12.8003061503        6.8591576325
 Pt         4.1797604295       13.6060548726        4.5479434081
 Pt         6.9346860045       12.0096082347        2.2227037814
 Pt         7.0014409467       11.9931309339        9.1747827587
 Pt         8.2988690773       12.8194306850       -0.1072465045
 Pt         8.3628852851       12.8009244913        6.8501955560
 Pt         6.9561029387       13.6043803497        4.5399854661
  O         4.4462582533        6.9325915077       11.6459683273
  H         5.3449491179        7.2924355289       11.7703869700
  H         4.5521109603        5.9619896167       11.6380416335
     183
 i =       44, E =    -21650.0154930623
 Pt        -0.0012369966       -0.0047925269        2.2235461782
 Pt         0.0620618829       -0.0221126912        9.1899779366
 Pt         1.3603538076        0.8040005521       -0.1075854865
 Pt         1.4258700291        0.7831542243        6.8530993597
 Pt         0.0200213127        1.5898166581        4.5407716856
 Pt         2.7760744705       -0.0041183987        2.2064908097
 Pt         2.8361138550       -0.0218099167        9.1733490923
 Pt         4.1354662109        0.8032230173       -0.1326638486
 Pt         4.1999326812        0.7849638038        6.8365891775
 Pt         2.7941452519        1.5937191032        4.5230628087
 Pt         5.5477265039       -0.0033713137        2.1984608090
 Pt         5.6128629438       -0.0225211255        9.1640791644
 Pt         6.9099780366        0.8036313537       -0.1243554264
 Pt         6.9735067069        0.7859036471        6.8389205628
 Pt         5.5644525091        1.5935943551        4.5101127895
 Pt         8.3227050580       -0.0034438366        2.2115503789
 Pt         8.3885609896       -0.0210813061        9.1838322669
 Pt         9.6846390774        0.8046528543       -0.1135806180
 Pt         9.7461663679        0.7860398103        6.8539134805
 Pt         8.3402307021        1.5922806130        4.5243978987
 Pt        11.0958561666       -0.0033198027        2.2288097473
 Pt        11.1630384426       -0.0195718757        9.1903044065
 Pt        12.4588249469        0.8048234976       -0.0991990680
 Pt        12.5217620957        0.7864910979        6.8624461271
 Pt        11.1167374720        1.5919113035        4.5435397964
 Pt        13.8704633029       -0.0038880156        2.2333300064
 Pt        13.9368578308       -0.0202824423        9.1858586364
 Pt        15.2331286703        0.8059353658       -0.0937731620
 Pt        15.2999359158        0.7843756990        6.8583562507
 Pt        13.8902932048        1.5909124094        4.5488557074
 Pt        -1.3909711040        2.3993580440        2.2328757771
 Pt        -1.3276805876        2.3808409183        9.1847450032
 Pt        -0.0268123441        3.2086072739       -0.0943399115
 Pt         0.0372404505        3.1876008952        6.8584739972
 Pt        -1.3697219266        3.9945319366        4.5482837363
 Pt         1.3859158757        2.3997109708        2.2203532340
 Pt         1.4480889490        2.3780285389        9.1783380555
 Pt         2.7470285784        3.2080761142       -0.1067823902
 Pt         2.8132904764        3.1849977248        6.8416614853
 Pt         1.4045722634        3.9970803782        4.5425677813
 Pt         4.1615822634        2.3981843170        2.1977021632
 Pt         4.2258358785        2.3773242252        9.1645682068
 Pt         5.5224238330        3.2092946963       -0.1206617262
 Pt         5.5877217648        3.1851243938        6.8280252610
 Pt         4.1798141114        4.0044555495        4.5257769189
 Pt         6.9369886223        2.3993864512        2.1982542597
 Pt         7.0008556035        2.3766640646        9.1633077554
 Pt         8.2967584792        3.2085568630       -0.1263934221
 Pt         8.3617847413        3.1881850077        6.8404246848
 Pt         6.9562846313        3.9966467039        4.5200544961
 Pt         9.7109759976        2.3986281480        2.2122667391
 Pt         9.7759798084        2.3808171119        9.1802621822
 Pt        11.0714419749        3.2075208940       -0.1143770546
 Pt        11.1349239454        3.1891776939        6.8548676055
 Pt         9.7302569964        3.9947200002        4.5266101019
 Pt        12.4834173366        2.3992890681        2.2254060273
 Pt        12.5477354997        2.3820630435        9.1893019907
 Pt        13.8461763298        3.2081232749       -0.0990618364
 Pt        13.9086009926        3.1894988343        6.8617982644
 Pt        12.5033324211        3.9940397750        4.5419087717
 Pt        -2.7784533011        4.8030848762        2.2302375146
 Pt        -2.7169947766        4.7836990147        9.1872210973
 Pt        -1.4134501251        5.6110395063       -0.0926250633
 Pt        -1.3516067674        5.5926646623        6.8651317122
 Pt        -2.7565981136        6.4003914940        4.5442681234
 Pt        -0.0033725020        4.8035665156        2.2347329499
 Pt         0.0570533190        4.7813656356        9.1901852413
 Pt         1.3645841746        5.6134415295       -0.0884307535
 Pt         1.4272116263        5.5901580246        6.8714514961
 Pt         0.0192038682        6.3963862178        4.5556977017
 Pt         2.7734830229        4.8037614317        2.2304225409
 Pt         2.8280241455        4.7671706449        9.1856644745
 Pt         4.1356340661        5.6119322939       -0.0938562009
 Pt         4.2028034609        5.5887991782        6.8918608037
 Pt         2.7964165274        6.4010522207        4.5736974289
 Pt         5.5495784949        4.8033175870        2.2171690626
 Pt         5.6262322626        4.7606962585        9.1754847519
 Pt         6.9059096454        5.6131244135       -0.1148571917
 Pt         6.9739280256        5.5907243422        6.8496218506
 Pt         5.5652823079        6.4005038993        4.5607280865
 Pt         8.3251283127        4.8015991003        2.2053257944
 Pt         8.3906551799        4.7802761401        9.1711954808
 Pt         9.6829059395        5.6096186885       -0.1234255577
 Pt         9.7482821673        5.5914844914        6.8413835652
 Pt         8.3426804907        6.3976296128        4.5235221326
 Pt        11.0983499102        4.8020419511        2.2152756252
 Pt        11.1614407319        4.7851147745        9.1787528098
 Pt        12.4587198977        5.6094160177       -0.1109034925
 Pt        12.5205540168        5.5943681679        6.8533631413
 Pt        11.1168717970        6.4009406972        4.5272441052
 Pt        -4.1633973582        7.2054785057        2.2163334466
 Pt        -4.1021972393        7.1880760711        9.1887512988
 Pt        -2.8016986699        8.0125438997       -0.1053031680
 Pt        -2.7407618739        7.9957099434        6.8594899617
 Pt        -4.1424217682        8.8022051813        4.5317337686
 Pt        -1.3893380552        7.2068242887        2.2346169789
 Pt        -1.3299118350        7.1895362217        9.1927862730
 Pt        -0.0255836043        8.0128543101       -0.0863601267
 Pt         0.0389653723        7.9939250429        6.8663714624
 Pt        -1.3638736677        8.8018790161        4.5451287575
 Pt         1.3864127718        7.2066329831        2.2455087565
 Pt         1.4328158684        7.1829641278        9.2056991017
 Pt         2.7489626432        8.0145854452       -0.0801504939
 Pt         2.8226988229        7.9854680020        6.9258452623
 Pt         1.4175893416        8.7944809761        4.5617193736
 Pt         4.1605661373        7.2055591658        2.2482757936
 Pt         4.2326771383        7.1800614350        9.2953448071
 Pt         5.5230789470        8.0145764616       -0.0903300008
 Pt         5.5856033592        7.9904932155        6.9018313164
 Pt         4.1796431407        8.7963412036        4.5780557532
 Pt         6.9363193071        7.2047030785        2.2217710085
 Pt         7.0232183043        7.1803677367        9.1833412921
 Pt         8.2966754018        8.0122234164       -0.1158900417
 Pt         8.3614437147        7.9948930265        6.8351815793
 Pt         6.9457287341        8.7965669952        4.5355047244
 Pt         9.7119714522        7.2043717517        2.2037022832
 Pt         9.7760153387        7.1890316231        9.1665918271
 Pt        11.0721101004        8.0123918878       -0.1228011967
 Pt        11.1350579996        7.9958367556        6.8430413147
 Pt         9.7275819287        8.8039506532        4.5166541477
 Pt        -5.5507750039        9.6076400830        2.2022501644
 Pt        -5.4869298429        9.5912665079        9.1708063606
 Pt        -4.1891048661       10.4126374042       -0.1182816433
 Pt        -4.1246016561       10.3984545816        6.8453678571
 Pt        -5.5310571153       11.2038432778        4.5229489727
 Pt        -2.7742154196        9.6091855834        2.2160424358
 Pt        -2.7149835972        9.5915547947        9.1829300720
 Pt        -1.4157470435       10.4157366326       -0.1170575940
 Pt        -1.3495586333       10.3979692334        6.8553679881
 Pt        -2.7542852712       11.2040131839        4.5281734716
 Pt        -0.0030325167        9.6095619258        2.2287574043
 Pt         0.0598707372        9.5917194151        9.1903008110
 Pt         1.3622177562       10.4166152282       -0.0910833838
 Pt         1.4261044847       10.3950831719        6.8644377008
 Pt         0.0213446786       11.2006490336        4.5404038097
 Pt         2.7737911894        9.6078027836        2.2442065162
 Pt         2.8321149342        9.6018784401        9.2077976336
 Pt         4.1361900838       10.4130123492       -0.0902656062
 Pt         4.2004553958       10.3938352346        6.8772315066
 Pt         2.7947413667       11.2031779244        4.5546006544
 Pt         5.5475221080        9.6071954373        2.2352823337
 Pt         5.6210188226        9.5995453062        9.1967605353
 Pt         6.9102883184       10.4177407198       -0.1024127474
 Pt         6.9749111887       10.3955080181        6.8493889267
 Pt         5.5641596874       11.2015180694        4.5473566006
 Pt         8.3250909168        9.6074909226        2.2037660618
 Pt         8.3892218573        9.5889604719        9.1700230278
 Pt         9.6866214834       10.4163503191       -0.1313345111
 Pt         9.7485671639       10.3968457467        6.8403719174
 Pt         8.3402319762       11.2004750578        4.5269920387
 Pt        -6.9369763601       12.0070567719        2.2081291818
 Pt        -6.8740248017       11.9933014080        9.1736608555
 Pt        -5.5767410077       12.8188726608       -0.1150578019
 Pt        -5.5104108408       12.7995903457        6.8448015948
 Pt        -6.9176430172       13.6051435924        4.5329835417
 Pt        -4.1618001181       12.0094666732        2.2089373103
 Pt        -4.0998788126       11.9941740080        9.1695963091
 Pt        -2.8004948770       12.8188104842       -0.1171640524
 Pt        -2.7385380856       12.8010419545        6.8405458683
 Pt        -4.1435541132       13.6076983159        4.5206087596
 Pt        -1.3879420657       12.0094214881        2.2129102576
 Pt        -1.3251236361       11.9954957896        9.1748336100
 Pt        -0.0280543986       12.8192426282       -0.1097346879
 Pt         0.0355631929       12.8029658870        6.8531690280
 Pt        -1.3690985530       13.6073286264        4.5257113528
 Pt         1.3854849203       12.0111835891        2.2278720755
 Pt         1.4483361640       11.9941871591        9.1857303450
 Pt         2.7481836745       12.8190691704       -0.0980652809
 Pt         2.8110080861       12.8003707322        6.8643445237
 Pt         1.4037997889       13.6058579650        4.5407150980
 Pt         4.1593388155       12.0108635411        2.2317725794
 Pt         4.2264071193       11.9945628266        9.1915813446
 Pt         5.5223925214       12.8198610509       -0.0964800485
 Pt         5.5868286561       12.7994723497        6.8604104091
 Pt         4.1793419302       13.6054728213        4.5488299268
 Pt         6.9345823836       12.0094420828        2.2227126670
 Pt         7.0014713267       11.9928600774        9.1775735842
 Pt         8.2985811803       12.8203823772       -0.1068910204
 Pt         8.3630519740       12.8005044996        6.8522371606
 Pt         6.9560598216       13.6035606878        4.5409152543
  O         4.4596705994        6.9435136414       11.6343066203
  H         5.3591832863        7.2952207555       11.7956325390
  H         4.5469613134        5.9712450560       11.6391157553
     183
 i =       45, E =    -21650.0155596717
 Pt        -0.0015320429       -0.0044200283        2.2215971201
 Pt         0.0616510535       -0.0220788897        9.1881514550
 Pt         1.3601848818        0.8040675343       -0.1091183697
 Pt         1.4251894019        0.7833303137        6.8518054717
 Pt         0.0200346322        1.5902219623        4.5392032930
 Pt         2.7756684738       -0.0038688300        2.2062019993
 Pt         2.8359647340       -0.0220339117        9.1724167322
 Pt         4.1351189135        0.8032673604       -0.1324086070
 Pt         4.1995720016        0.7845581541        6.8372716624
 Pt         2.7941390300        1.5937797850        4.5232108107
 Pt         5.5475207160       -0.0033347894        2.1989031984
 Pt         5.6128085777       -0.0230462063        9.1650056455
 Pt         6.9096521876        0.8037822559       -0.1235380639
 Pt         6.9735703718        0.7854213827        6.8397250763
 Pt         5.5643465627        1.5933233936        4.5116651789
 Pt         8.3227611673       -0.0032773771        2.2116043732
 Pt         8.3882685685       -0.0220878260        9.1830541979
 Pt         9.6844967207        0.8048799430       -0.1134941386
 Pt         9.7464313038        0.7858298371        6.8531855190
 Pt         8.3401841354        1.5922485492        4.5252313444
 Pt        11.0960991123       -0.0028872016        2.2270402374
 Pt        11.1626036203       -0.0204129016        9.1892807229
 Pt        12.4587696678        0.8050238561       -0.1014942587
 Pt        12.5218999513        0.7864647581        6.8616277506
 Pt        11.1167630421        1.5922376673        4.5425571688
 Pt        13.8705626612       -0.0034302363        2.2308596690
 Pt        13.9361075713       -0.0207150218        9.1859968246
 Pt        15.2330722126        0.8061226648       -0.0968803809
 Pt        15.2992803885        0.7844841492        6.8570160390
 Pt        13.8903664904        1.5912372642        4.5468254079
 Pt        -1.3909097166        2.3994946233        2.2303179468
 Pt        -1.3279753695        2.3801793983        9.1842574013
 Pt        -0.0269276622        3.2086895556       -0.0968623339
 Pt         0.0367317435        3.1876097607        6.8580867059
 Pt        -1.3697613695        3.9946422078        4.5466820241
 Pt         1.3857294041        2.3998452939        2.2197159643
 Pt         1.4481485105        2.3778010462        9.1780815406
 Pt         2.7467254486        3.2082089299       -0.1065400936
 Pt         2.8129472920        3.1849495684        6.8431015463
 Pt         1.4044086635        3.9973023145        4.5432669834
 Pt         4.1614026234        2.3981158756        2.1990193660
 Pt         4.2257699496        2.3771164716        9.1664107643
 Pt         5.5221469661        3.2093481730       -0.1184558347
 Pt         5.5875193206        3.1845679326        6.8304020618
 Pt         4.1796048220        4.0040353319        4.5279665646
 Pt         6.9369288147        2.3993237967        2.2003933125
 Pt         7.0007148540        2.3760309117        9.1653311865
 Pt         8.2963964533        3.2086269177       -0.1244696953
 Pt         8.3620723353        3.1878398510        6.8422797388
 Pt         6.9562002752        3.9963873894        4.5226879654
 Pt         9.7110551295        2.3987958812        2.2129001709
 Pt         9.7759298217        2.3795785109        9.1806478265
 Pt        11.0711824091        3.2076052366       -0.1148655379
 Pt        11.1350779198        3.1891264960        6.8548289382
 Pt         9.7302546734        3.9949414232        4.5277145138
 Pt        12.4835571393        2.3994953289        2.2237962218
 Pt        12.5476849593        2.3813864028        9.1890743379
 Pt        13.8461174994        3.2082921860       -0.1014602507
 Pt        13.9084642794        3.1892853709        6.8606897566
 Pt        12.5033324288        3.9942434679        4.5410642349
 Pt        -2.7782944187        4.8028315296        2.2282822638
 Pt        -2.7163621064        4.7832055477        9.1857477691
 Pt        -1.4135744840        5.6111786261       -0.0950325382
 Pt        -1.3515009097        5.5924254099        6.8638348731
 Pt        -2.7565663178        6.4003288977        4.5424437896
 Pt        -0.0033009777        4.8033942699        2.2329854128
 Pt         0.0577081419        4.7809489444        9.1901369466
 Pt         1.3645655953        5.6134857669       -0.0886489581
 Pt         1.4270210527        5.5900492425        6.8725142539
 Pt         0.0189766126        6.3963825613        4.5546705747
 Pt         2.7733214068        4.8036833309        2.2314777063
 Pt         2.8290956749        4.7674842980        9.1874217502
 Pt         4.1354326494        5.6118376294       -0.0924551274
 Pt         4.2027526294        5.5887142212        6.8932727977
 Pt         2.7960258996        6.4009470086        4.5749236191
 Pt         5.5493464645        4.8031401415        2.2196674567
 Pt         5.6268762275        4.7609816415        9.1771268206
 Pt         6.9056062386        5.6131075758       -0.1119332042
 Pt         6.9743581356        5.5904621386        6.8513400972
 Pt         5.5649578910        6.4002906221        4.5622250860
 Pt         8.3251608296        4.8015152049        2.2076047932
 Pt         8.3913017736        4.7795354446        9.1735911117
 Pt         9.6825987091        5.6097918874       -0.1219576039
 Pt         9.7485748436        5.5915042258        6.8432770236
 Pt         8.3426429328        6.3976496668        4.5257010706
 Pt        11.0983881889        4.8019958130        2.2150123249
 Pt        11.1619688800        4.7841166354        9.1792815622
 Pt        12.4585801827        5.6097166818       -0.1112438152
 Pt        12.5206703672        5.5942253530        6.8524343528
 Pt        11.1167411922        6.4009435338        4.5275323791
 Pt        -4.1633554685        7.2053704377        2.2154578924
 Pt        -4.1012055448        7.1876122264        9.1871751663
 Pt        -2.8019122511        8.0130804732       -0.1069230138
 Pt        -2.7403606431        7.9955043421        6.8576025312
 Pt        -4.1424878496        8.8020533338        4.5307337774
 Pt        -1.3894957698        7.2065743800        2.2320339330
 Pt        -1.3291610542        7.1888974436        9.1906131934
 Pt        -0.0255798100        8.0129279409       -0.0879444373
 Pt         0.0390912567        7.9937197944        6.8657984691
 Pt        -1.3638561835        8.8016838531        4.5431714411
 Pt         1.3860729931        7.2065625007        2.2457092516
 Pt         1.4341614037        7.1829365013        9.2066152491
 Pt         2.7489192383        8.0145374630       -0.0790658226
 Pt         2.8228577045        7.9857273090        6.9263502430
 Pt         1.4170924216        8.7946384372        4.5618271580
 Pt         4.1603788878        7.2055343970        2.2494281001
 Pt         4.2336672613        7.1813563672        9.2939364883
 Pt         5.5230298229        8.0145505852       -0.0890306147
 Pt         5.5862843829        7.9909400502        6.9019255619
 Pt         4.1792587182        8.7964343829        4.5786552579
 Pt         6.9362630831        7.2047954987        2.2238836946
 Pt         7.0246449920        7.1805741391        9.1836323515
 Pt         8.2963145187        8.0122368097       -0.1141563567
 Pt         8.3626474094        7.9952145257        6.8370320762
 Pt         6.9457060896        8.7968897780        4.5369514338
 Pt         9.7119875789        7.2044217229        2.2052680843
 Pt         9.7772460992        7.1884280183        9.1688982043
 Pt        11.0718769443        8.0127288093       -0.1222393117
 Pt        11.1354742870        7.9957582977        6.8437535621
 Pt         9.7274760678        8.8039608268        4.5180416893
 Pt        -5.5507958775        9.6078181326        2.2028217279
 Pt        -5.4862167890        9.5911572643        9.1713323796
 Pt        -4.1894340303       10.4132318334       -0.1184047941
 Pt        -4.1245336173       10.3982367976        6.8447439730
 Pt        -5.5310434281       11.2037028048        4.5230393669
 Pt        -2.7743349931        9.6092254110        2.2145524777
 Pt        -2.7147079924        9.5910620538        9.1813201598
 Pt        -1.4159917167       10.4162131195       -0.1184921703
 Pt        -1.3494623051       10.3976938705        6.8541177469
 Pt        -2.7541961248       11.2037114890        4.5273612071
 Pt        -0.0033179728        9.6096382353        2.2270507884
 Pt         0.0598481179        9.5910754917        9.1893423042
 Pt         1.3621576744       10.4165240430       -0.0914172988
 Pt         1.4260931224       10.3949929589        6.8641568975
 Pt         0.0213280808       11.2005889562        4.5392824583
 Pt         2.7733269800        9.6079266387        2.2449605604
 Pt         2.8327984650        9.6021098636        9.2082585832
 Pt         4.1360794763       10.4129807962       -0.0894768411
 Pt         4.2004680389       10.3942870832        6.8773583813
 Pt         2.7945472707       11.2035742785        4.5538665394
 Pt         5.5473404797        9.6073573342        2.2362055919
 Pt         5.6220649256        9.6004215289        9.1971244622
 Pt         6.9100552075       10.4177848624       -0.1017856311
 Pt         6.9753927025       10.3960622051        6.8503448561
 Pt         5.5639669765       11.2020297246        4.5477561585
 Pt         8.3250027179        9.6076739335        2.2050585725
 Pt         8.3900763444        9.5890883147        9.1720931938
 Pt         9.6862682867       10.4164756005       -0.1306914696
 Pt         9.7489740179       10.3970428683        6.8414385360
 Pt         8.3402134605       11.2007063632        4.5274239700
 Pt        -6.9371798714       12.0074013627        2.2081813273
 Pt        -6.8741192175       11.9934913182        9.1733813912
 Pt        -5.5769599011       12.8190706812       -0.1154867476
 Pt        -5.5106519441       12.7994921606        6.8441776655
 Pt        -6.9176488080       13.6052946807        4.5319085281
 Pt        -4.1620486475       12.0097062382        2.2085886963
 Pt        -4.0997762365       11.9939211806        9.1694526919
 Pt        -2.8008156681       12.8190951581       -0.1179338602
 Pt        -2.7383459375       12.8005467608        6.8406398350
 Pt        -4.1435100104       13.6074348291        4.5205852534
 Pt        -1.3881876443       12.0095624922        2.2121001371
 Pt        -1.3253801194       11.9946263613        9.1746526498
 Pt        -0.0282177318       12.8193914746       -0.1102485429
 Pt         0.0356782036       12.8025914252        6.8523200148
 Pt        -1.3692064553       13.6071150449        4.5255399291
 Pt         1.3853765461       12.0114375946        2.2268066688
 Pt         1.4480663954       11.9935723761        9.1847788324
 Pt         2.7481120372       12.8191207549       -0.0992031088
 Pt         2.8112020736       12.8003750218        6.8634345780
 Pt         1.4038625706       13.6060754371        4.5395708614
 Pt         4.1593324496       12.0112265429        2.2312133547
 Pt         4.2261382464       11.9946681891        9.1921721499
 Pt         5.5224361814       12.8198853114       -0.0974246602
 Pt         5.5867435936       12.7997349536        6.8602253379
 Pt         4.1793830903       13.6060239817        4.5474834861
 Pt         6.9345476931       12.0097074748        2.2225188982
 Pt         7.0014326256       11.9931252219        9.1785047626
 Pt         8.2983848743       12.8204581113       -0.1077750959
 Pt         8.3627357803       12.8006327945        6.8517900257
 Pt         6.9560563738       13.6039555826        4.5398687515
  O         4.4688315100        6.9429637962       11.6318274280
  H         5.3677268447        7.2931454162       11.7884874299
  H         4.5538282190        5.9702641445       11.6439521210
     183
 i =       46, E =    -21650.0156053820
 Pt        -0.0018993705       -0.0042088541        2.2204942438
 Pt         0.0624207939       -0.0228001378        9.1855804400
 Pt         1.3589615512        0.8043192464       -0.1102990755
 Pt         1.4249733228        0.7830109216        6.8500071132
 Pt         0.0204001174        1.5905325323        4.5361926514
 Pt         2.7749225530       -0.0032921525        2.2063831335
 Pt         2.8373784265       -0.0229125515        9.1703966314
 Pt         4.1339370787        0.8036800230       -0.1303163413
 Pt         4.1999054284        0.7837968377        6.8380458866
 Pt         2.7944384346        1.5933703361        4.5239082218
 Pt         5.5468557497       -0.0029507766        2.2008673001
 Pt         5.6138216970       -0.0244361481        9.1653553421
 Pt         6.9081571329        0.8040628695       -0.1209040968
 Pt         6.9743777416        0.7845207556        6.8409425221
 Pt         5.5644108177        1.5925068114        4.5151368711
 Pt         8.3225159228       -0.0029937310        2.2123600588
 Pt         8.3889108654       -0.0245504588        9.1815958151
 Pt         9.6832599106        0.8055053220       -0.1122980846
 Pt         9.7473428531        0.7850777340        6.8518021623
 Pt         8.3407100331        1.5917657379        4.5272855778
 Pt        11.0965921986       -0.0025986844        2.2260331367
 Pt        11.1633350436       -0.0225842589        9.1868537198
 Pt        12.4578236989        0.8059038986       -0.1035456350
 Pt        12.5226975206        0.7859599732        6.8598904225
 Pt        11.1173903705        1.5924131974        4.5405669269
 Pt        13.8708787431       -0.0031751802        2.2282828320
 Pt        13.9365534153       -0.0220243879        9.1860387233
 Pt        15.2318901403        0.8066519500       -0.1002588916
 Pt        15.2990222696        0.7840531104        6.8546499381
 Pt        13.8911316929        1.5910336930        4.5436441825
 Pt        -1.3908701272        2.3995433973        2.2266476942
 Pt        -1.3267512346        2.3789883335        9.1827607465
 Pt        -0.0279143073        3.2091558740       -0.0992027343
 Pt         0.0367709194        3.1868936684        6.8566514621
 Pt        -1.3692487996        3.9942862102        4.5438844730
 Pt         1.3855395117        2.3999398382        2.2196823053
 Pt         1.4498253477        2.3768638957        9.1765221711
 Pt         2.7452616809        3.2086238844       -0.1045183222
 Pt         2.8134033666        3.1848103902        6.8443885722
 Pt         1.4045292428        3.9973384436        4.5447334014
 Pt         4.1609822314        2.3981195648        2.2019498346
 Pt         4.2272681386        2.3760015729        9.1678173950
 Pt         5.5209661510        3.2096469034       -0.1128430245
 Pt         5.5880627993        3.1835685575        6.8337327985
 Pt         4.1799181399        4.0033946078        4.5316800266
 Pt         6.9363818738        2.3990635460        2.2050149597
 Pt         7.0024719192        2.3741073342        9.1673108119
 Pt         8.2949080351        3.2090860686       -0.1189418741
 Pt         8.3632690536        3.1872676323        6.8451034738
 Pt         6.9566274244        3.9955877466        4.5271190341
 Pt         9.7110604437        2.3992763841        2.2149696708
 Pt         9.7773727011        2.3766575251        9.1810350558
 Pt        11.0703486603        3.2082543015       -0.1144675796
 Pt        11.1359098251        3.1881674648        6.8543594506
 Pt         9.7308265258        3.9950668154        4.5306027667
 Pt        12.4837386539        2.3997927215        2.2225645480
 Pt        12.5491721881        2.3797351017        9.1885945281
 Pt        13.8449578503        3.2090915596       -0.1038943642
 Pt        13.9088132020        3.1882540816        6.8583387498
 Pt        12.5036359938        3.9941528214        4.5397558291
 Pt        -2.7784730005        4.8023258360        2.2262085185
 Pt        -2.7136414354        4.7813737352        9.1838270602
 Pt        -1.4147366511        5.6119002700       -0.0973730402
 Pt        -1.3502854546        5.5911483305        6.8615022161
 Pt        -2.7560688249        6.3997252962        4.5389414750
 Pt        -0.0031966819        4.8030190851        2.2318816380
 Pt         0.0601410232        4.7795989247        9.1897343136
 Pt         1.3636118653        5.6142353634       -0.0870343478
 Pt         1.4278880534        5.5896039181        6.8740747325
 Pt         0.0187764983        6.3959823993        4.5538338936
 Pt         2.7731235625        4.8034760418        2.2350998879
 Pt         2.8321189481        4.7666293080        9.1895433813
 Pt         4.1343666938        5.6120953240       -0.0874556953
 Pt         4.2039152214        5.5886321630        6.8977084451
 Pt         2.7963830101        6.4005887830        4.5785781211
 Pt         5.5490729210        4.8031185364        2.2248600416
 Pt         5.6303615089        4.7595875996        9.1798282240
 Pt         6.9047408164        5.6134853602       -0.1061391859
 Pt         6.9758345993        5.5901976740        6.8546816843
 Pt         5.5649065221        6.3997601203        4.5668418286
 Pt         8.3247772330        4.8018369653        2.2131832703
 Pt         8.3943393087        4.7776372449        9.1764429154
 Pt         9.6817559706        5.6101586360       -0.1183640338
 Pt         9.7501933164        5.5910312425        6.8463046670
 Pt         8.3433193373        6.3977275063        4.5301042152
 Pt        11.0981295925        4.8022242850        2.2161230914
 Pt        11.1643235990        4.7816026176        9.1798217958
 Pt        12.4574563351        5.6102336206       -0.1115543763
 Pt        12.5218472251        5.5931038223        6.8505693514
 Pt        11.1170793053        6.4010047302        4.5287491323
 Pt        -4.1635303344        7.2051247761        2.2151398708
 Pt        -4.0983266398        7.1856776183        9.1847213256
 Pt        -2.8031589083        8.0142303862       -0.1082689847
 Pt        -2.7389187367        7.9942741896        6.8544755346
 Pt        -4.1419730319        8.8013626737        4.5298305898
 Pt        -1.3897455573        7.2060929081        2.2290561574
 Pt        -1.3263023803        7.1869071422        9.1866915462
 Pt        -0.0262460019        8.0133909159       -0.0881470895
 Pt         0.0413767596        7.9927520976        6.8642642536
 Pt        -1.3632653572        8.8009100944        4.5408171319
 Pt         1.3857511804        7.2062066583        2.2485694494
 Pt         1.4383032185        7.1818376970        9.2081802561
 Pt         2.7476344379        8.0147140830       -0.0751117338
 Pt         2.8251916702        7.9850834188        6.9295950055
 Pt         1.4176694992        8.7941921568        4.5631850534
 Pt         4.1599421789        7.2054298372        2.2536782984
 Pt         4.2389448979        7.1819429320        9.2942912311
 Pt         5.5222382664        8.0148989202       -0.0837744686
 Pt         5.5888342618        7.9907876633        6.9046014577
 Pt         4.1792934558        8.7957973521        4.5817716716
 Pt         6.9359862231        7.2047121687        2.2292167751
 Pt         7.0283034891        7.1795634860        9.1872899936
 Pt         8.2952738671        8.0124703001       -0.1086311045
 Pt         8.3652127108        7.9954038050        6.8401269920
 Pt         6.9460645349        8.7968482793        4.5397409232
 Pt         9.7117359267        7.2044225737        2.2090246543
 Pt         9.7801943850        7.1867635652        9.1713377405
 Pt        11.0707854539        8.0136638461       -0.1190528556
 Pt        11.1365098513        7.9952210276        6.8443698981
 Pt         9.7280365177        8.8039808997        4.5207531933
 Pt        -5.5513643096        9.6079958400        2.2051991358
 Pt        -5.4839279612        9.5898083552        9.1715451913
 Pt        -4.1906248857       10.4142327301       -0.1172328657
 Pt        -4.1239253866       10.3973743074        6.8439051018
 Pt        -5.5302048331       11.2032661340        4.5237248789
 Pt        -2.7745978645        9.6089750919        2.2132779786
 Pt        -2.7122547947        9.5897189029        9.1787925058
 Pt        -1.4172953823       10.4170901648       -0.1193400563
 Pt        -1.3478434085       10.3961346323        6.8523244416
 Pt        -2.7536720547       11.2028113160        4.5261303806
 Pt        -0.0035655635        9.6094689336        2.2263741695
 Pt         0.0619892298        9.5892203887        9.1868865566
 Pt         1.3611295327       10.4167971693       -0.0900007113
 Pt         1.4282437497       10.3934488082        6.8634087502
 Pt         0.0214573822       11.2002274355        4.5382126882
 Pt         2.7730053241        9.6079885534        2.2477463362
 Pt         2.8358301231        9.6011966011        9.2097080972
 Pt         4.1351680715       10.4132039684       -0.0862206564
 Pt         4.2016773551       10.3939846689        6.8783878684
 Pt         2.7947731176       11.2037101142        4.5536932582
 Pt         5.5471136714        9.6074796261        2.2406903770
 Pt         5.6249054425        9.5996567755        9.1986559195
 Pt         6.9090662265       10.4182965644       -0.0987755746
 Pt         6.9768429437       10.3958650568        6.8521415117
 Pt         5.5641312255       11.2020558699        4.5496710495
 Pt         8.3247066321        9.6078775864        2.2082490530
 Pt         8.3925411206        9.5879684705        9.1749649838
 Pt         9.6850890071       10.4171879469       -0.1276103027
 Pt         9.7497986261       10.3964223289        6.8428399086
 Pt         8.3409964084       11.2005328304        4.5288491897
 Pt        -6.9379187205       12.0077226434        2.2095397002
 Pt        -6.8724524436       11.9925318367        9.1723979688
 Pt        -5.5783750947       12.8197288043       -0.1140550586
 Pt        -5.5104383152       12.7989806736        6.8429690466
 Pt        -6.9176396524       13.6055722041        4.5313490373
 Pt        -4.1625779488       12.0101098593        2.2088953614
 Pt        -4.0984748688       11.9925525770        9.1689387521
 Pt        -2.8019118565       12.8201047690       -0.1178234960
 Pt        -2.7375729415       12.7993998234        6.8404161308
 Pt        -4.1430868165       13.6066921924        4.5207385842
 Pt        -1.3885522621       12.0097195472        2.2109682276
 Pt        -1.3245047724       11.9925126436        9.1732479476
 Pt        -0.0292077591       12.8200096212       -0.1096366242
 Pt         0.0367956475       12.8012733987        6.8508157400
 Pt        -1.3687701513       13.6064149745        4.5254015420
 Pt         1.3854946772       12.0119846981        2.2271293717
 Pt         1.4492444103       11.9913715841        9.1823676961
 Pt         2.7470418928       12.8191522206       -0.0996997080
 Pt         2.8126449424       12.7995391345        6.8622445054
 Pt         1.4047729194       13.6062334339        4.5389029612
 Pt         4.1595807424       12.0115649443        2.2314620768
 Pt         4.2276724666       11.9932560962        9.1922848166
 Pt         5.5215192247       12.8202192774       -0.0979442054
 Pt         5.5876998797       12.7995304845        6.8600997134
 Pt         4.1801401493       13.6062822936        4.5463292272
 Pt         6.9342169414       12.0099297362        2.2238760504
 Pt         7.0029125834       11.9919063405        9.1789474078
 Pt         8.2971241738       12.8208142797       -0.1075861238
 Pt         8.3630048108       12.8000261725        6.8510860414
 Pt         6.9565692014       13.6040489234        4.5388534830
  O         4.4634350605        6.9394832132       11.6234344337
  H         5.3560992486        7.2919454166       11.7670068601
  H         4.5470334576        5.9671604943       11.6421023644
     183
 i =       47, E =    -21650.0156459976
 Pt        -0.0019929173       -0.0039684567        2.2197380367
 Pt         0.0626193114       -0.0229681656        9.1839790253
 Pt         1.3588097576        0.8043365737       -0.1103029626
 Pt         1.4248366150        0.7831063007        6.8491439993
 Pt         0.0202753967        1.5908624100        4.5356642873
 Pt         2.7747294621       -0.0032639662        2.2062504940
 Pt         2.8375627887       -0.0229195030        9.1695773906
 Pt         4.1338300419        0.8037305218       -0.1299896766
 Pt         4.1999250512        0.7839483228        6.8381537980
 Pt         2.7941495685        1.5933214945        4.5240558528
 Pt         5.5467942472       -0.0032054350        2.2012541555
 Pt         5.6136109886       -0.0243644467        9.1657376302
 Pt         6.9080242984        0.8040104217       -0.1206190601
 Pt         6.9743386648        0.7845697506        6.8411923815
 Pt         5.5643536899        1.5922576008        4.5162717592
 Pt         8.3224953087       -0.0031292386        2.2125460340
 Pt         8.3884950841       -0.0246033843        9.1811060721
 Pt         9.6830885548        0.8055228139       -0.1116410745
 Pt         9.7470908729        0.7851565415        6.8509083604
 Pt         8.3406483769        1.5917446023        4.5275069696
 Pt        11.0966708331       -0.0024159583        2.2253025319
 Pt        11.1630122787       -0.0227952543        9.1851789537
 Pt        12.4576598742        0.8058852686       -0.1047011494
 Pt        12.5226337778        0.7859697307        6.8586730165
 Pt        11.1175288480        1.5926450445        4.5397101222
 Pt        13.8709583529       -0.0029135960        2.2268596957
 Pt        13.9367195650       -0.0219366300        9.1847786429
 Pt        15.2317832934        0.8065091651       -0.1020275596
 Pt        15.2989144847        0.7842101212        6.8536204496
 Pt        13.8912795749        1.5914199263        4.5424257537
 Pt        -1.3906663765        2.3995752073        2.2252083750
 Pt        -1.3263936521        2.3788474246        9.1821507265
 Pt        -0.0278397612        3.2093454461       -0.1002415837
 Pt         0.0368270363        3.1869743025        6.8560321854
 Pt        -1.3694227849        3.9944822150        4.5428744987
 Pt         1.3854992803        2.4000302726        2.2195547817
 Pt         1.4501420598        2.3769159652        9.1757979052
 Pt         2.7452887049        3.2086670742       -0.1037915199
 Pt         2.8136388932        3.1848357619        6.8444805594
 Pt         1.4043951442        3.9973816297        4.5446848551
 Pt         4.1608308323        2.3980316946        2.2031913901
 Pt         4.2275307407        2.3761053513        9.1684073675
 Pt         5.5211990839        3.2095438300       -0.1118953803
 Pt         5.5880598177        3.1839426750        6.8346345990
 Pt         4.1798507769        4.0032457101        4.5327134507
 Pt         6.9362125401        2.3989586059        2.2064979347
 Pt         7.0026279661        2.3741955818        9.1680546492
 Pt         8.2948824454        3.2091263800       -0.1175849168
 Pt         8.3627100621        3.1876061735        6.8451377848
 Pt         6.9563409609        3.9956542120        4.5280020727
 Pt         9.7108113393        2.3993506529        2.2154685967
 Pt         9.7772867169        2.3765299024        9.1800378180
 Pt        11.0702130405        3.2083975918       -0.1140997615
 Pt        11.1356619804        3.1881056073        6.8536292949
 Pt         9.7307424932        3.9952101316        4.5311144219
 Pt        12.4837938606        2.3998328443        2.2215972521
 Pt        12.5492283530        2.3793686547        9.1873917178
 Pt        13.8448675648        3.2092278635       -0.1054000322
 Pt        13.9089553085        3.1882368385        6.8572467264
 Pt        12.5037978175        3.9943342464        4.5390489859
 Pt        -2.7782503892        4.8023295968        2.2249031770
 Pt        -2.7132468425        4.7810371323        9.1834895812
 Pt        -1.4146773977        5.6121214944       -0.0983977640
 Pt        -1.3502212863        5.5910566904        6.8605713904
 Pt        -2.7559118396        6.3996013866        4.5381908260
 Pt        -0.0031558905        4.8029117615        2.2313209874
 Pt         0.0604464294        4.7794783108        9.1893500710
 Pt         1.3635798711        5.6143446876       -0.0873031909
 Pt         1.4279172901        5.5897460852        6.8739292950
 Pt         0.0188028733        6.3960564576        4.5533056666
 Pt         2.7731326937        4.8034293443        2.2356386801
 Pt         2.8323573924        4.7666170711        9.1892625357
 Pt         4.1345219985        5.6120989710       -0.0863344940
 Pt         4.2043119627        5.5889023284        6.8975206839
 Pt         2.7963592152        6.4005473434        4.5787575736
 Pt         5.5489823524        4.8029638374        2.2257489014
 Pt         5.6307653124        4.7596397881        9.1800780540
 Pt         6.9051068236        5.6133845148       -0.1052715291
 Pt         6.9759918332        5.5907086068        6.8552455384
 Pt         5.5649957311        6.3996718094        4.5671390330
 Pt         8.3244431553        4.8019166111        2.2143298151
 Pt         8.3945281219        4.7776337146        9.1766608461
 Pt         9.6816664579        5.6101523939       -0.1174837846
 Pt         9.7499219945        5.5912099696        6.8462989402
 Pt         8.3430809030        6.3978467108        4.5310276400
 Pt        11.0979066316        4.8022672360        2.2162433558
 Pt        11.1645398543        4.7811495732        9.1791002228
 Pt        12.4572583224        5.6104169537       -0.1116180229
 Pt        12.5220778431        5.5929835489        6.8499791382
 Pt        11.1170111541        6.4010759727        4.5287927283
 Pt        -4.1634029835        7.2051138909        2.2150526157
 Pt        -4.0982408830        7.1850205242        9.1834672021
 Pt        -2.8032392840        8.0144767962       -0.1085587887
 Pt        -2.7386806898        7.9943150955        6.8533188810
 Pt        -4.1418937488        8.8014603227        4.5292807044
 Pt        -1.3896303654        7.2059145931        2.2282746240
 Pt        -1.3262371750        7.1864396482        9.1847358510
 Pt        -0.0264177542        8.0136052323       -0.0888612054
 Pt         0.0415387609        7.9927878865        6.8632719006
 Pt        -1.3632393919        8.8008044129        4.5395758321
 Pt         1.3856039211        7.2061392177        2.2484362115
 Pt         1.4386541020        7.1819125512        9.2076047385
 Pt         2.7476017752        8.0147788421       -0.0748797011
 Pt         2.8255874723        7.9854113940        6.9288505696
 Pt         1.4175282788        8.7943751004        4.5623538008
 Pt         4.1597176258        7.2055006980        2.2541905275
 Pt         4.2389511501        7.1809399887        9.2928101844
 Pt         5.5223222934        8.0148527656       -0.0828710609
 Pt         5.5893388814        7.9906655918        6.9048717184
 Pt         4.1792144657        8.7958972799        4.5817815714
 Pt         6.9357524022        7.2046488145        2.2299372509
 Pt         7.0280199061        7.1797758070        9.1879655023
 Pt         8.2955299988        8.0124066974       -0.1075890203
 Pt         8.3646847237        7.9953486442        6.8406609372
 Pt         6.9461490799        8.7968417881        4.5400365211
 Pt         9.7113647315        7.2043992224        2.2101176860
 Pt         9.7802231144        7.1865136223        9.1712892812
 Pt        11.0707113059        8.0138300666       -0.1180931359
 Pt        11.1365032034        7.9951392768        6.8440048198
 Pt         9.7278792234        8.8041452381        4.5211246607
 Pt        -5.5512555546        9.6082360782        2.2052578556
 Pt        -5.4837351534        9.5894630763        9.1708342647
 Pt        -4.1906563357       10.4144806837       -0.1178323324
 Pt        -4.1239780974       10.3974388695        6.8432716939
 Pt        -5.5303333821       11.2034173382        4.5232602146
 Pt        -2.7746234093        9.6089824809        2.2127383921
 Pt        -2.7119702251        9.5894674478        9.1774580143
 Pt        -1.4173690295       10.4171881154       -0.1200500747
 Pt        -1.3479238696       10.3960081695        6.8512856195
 Pt        -2.7538150848       11.2027111158        4.5254526403
 Pt        -0.0035811827        9.6095453631        2.2256052473
 Pt         0.0622383194        9.5889741430        9.1857918675
 Pt         1.3608397053       10.4169879455       -0.0904574834
 Pt         1.4285036600       10.3934732869        6.8627089360
 Pt         0.0214204864       11.2001521196        4.5374750973
 Pt         2.7727327378        9.6081903306        2.2476313581
 Pt         2.8361944655        9.6010782053        9.2091902143
 Pt         4.1350851564       10.4132711392       -0.0858743710
 Pt         4.2020874273       10.3940236919        6.8779147299
 Pt         2.7948557103       11.2038043198        4.5532693196
 Pt         5.5470147723        9.6074356535        2.2410187285
 Pt         5.6249686196        9.5993075025        9.1987490644
 Pt         6.9090330473       10.4182179206       -0.0983368929
 Pt         6.9768672839       10.3958326459        6.8517779162
 Pt         5.5641688945       11.2023012746        4.5492881387
 Pt         8.3246154021        9.6079879898        2.2089276036
 Pt         8.3926757059        9.5878894228        9.1749907402
 Pt         9.6850067774       10.4173133032       -0.1271160592
 Pt         9.7495289764       10.3965531478        6.8423544487
 Pt         8.3410026584       11.2008480784        4.5286143294
 Pt        -6.9379969115       12.0082189730        2.2093590349
 Pt        -6.8722216652       11.9924831908        9.1711868537
 Pt        -5.5784911526       12.8198192506       -0.1146475221
 Pt        -5.5106173162       12.7990413933        6.8421863142
 Pt        -6.9178236242       13.6058910205        4.5305609862
 Pt        -4.1626284466       12.0102604402        2.2078779081
 Pt        -4.0984872363       11.9923860041        9.1683378597
 Pt        -2.8020579681       12.8202271845       -0.1187006660
 Pt        -2.7376502374       12.7994036910        6.8401432597
 Pt        -4.1433528672       13.6065786112        4.5205881459
 Pt        -1.3886903753       12.0097313350        2.2102860893
 Pt        -1.3245970086       11.9923609257        9.1727643543
 Pt        -0.0292097361       12.8200749037       -0.1101282907
 Pt         0.0368655538       12.8010450542        6.8502647687
 Pt        -1.3687919480       13.6061626155        4.5253883890
 Pt         1.3854198993       12.0121277697        2.2268851131
 Pt         1.4491523166       11.9913529206        9.1813840921
 Pt         2.7468642527       12.8192518140       -0.0996786205
 Pt         2.8127364251       12.7995370503        6.8612364215
 Pt         1.4048391575       13.6062987718        4.5385305085
 Pt         4.1595649493       12.0118546207        2.2313526884
 Pt         4.2278840011       11.9933582971        9.1916959825
 Pt         5.5213387474       12.8201904316       -0.0988903921
 Pt         5.5875878494       12.7997297811        6.8592630048
 Pt         4.1801999425       13.6065427619        4.5450613658
 Pt         6.9341847054       12.0102808059        2.2235768590
 Pt         7.0031535091       11.9919199008        9.1782281506
 Pt         8.2969709530       12.8207873497       -0.1079779485
 Pt         8.3629143017       12.8001297791        6.8500901541
 Pt         6.9564343084       13.6044485971        4.5380960242
  O         4.4690952555        6.9383188331       11.6271273669
  H         5.3649848800        7.2884833865       11.7720922671
  H         4.5558102397        5.9656322640       11.6516348474
     183
 i =       48, E =    -21650.0156809686
 Pt        -0.0023402362       -0.0038105071        2.2200006601
 Pt         0.0634678081       -0.0237361914        9.1843339460
 Pt         1.3580904409        0.8048542091       -0.1093083074
 Pt         1.4252295115        0.7827568884        6.8494761390
 Pt         0.0201008009        1.5907477357        4.5364308830
 Pt         2.7745811536       -0.0032629396        2.2070773010
 Pt         2.8381704949       -0.0236556849        9.1701198951
 Pt         4.1332735584        0.8042447746       -0.1292304935
 Pt         4.2002630158        0.7835305891        6.8386958202
 Pt         2.7940654935        1.5932439752        4.5246320835
 Pt         5.5466236224       -0.0034281979        2.2019547362
 Pt         5.6140331834       -0.0252765374        9.1665604037
 Pt         6.9074358321        0.8044801697       -0.1198875545
 Pt         6.9744362936        0.7838514121        6.8418163613
 Pt         5.5643922215        1.5919618797        4.5171432887
 Pt         8.3222506570       -0.0032102823        2.2134414336
 Pt         8.3888911798       -0.0255487084        9.1816778355
 Pt         9.6825251070        0.8058833923       -0.1103410757
 Pt         9.7470604055        0.7845369198        6.8513567544
 Pt         8.3406649498        1.5915030833        4.5282135559
 Pt        11.0965852839       -0.0022942960        2.2258473072
 Pt        11.1633643259       -0.0239521539        9.1849072186
 Pt        12.4569507903        0.8062342039       -0.1042744444
 Pt        12.5228322369        0.7854520034        6.8588273316
 Pt        11.1178544961        1.5923980360        4.5405828981
 Pt        13.8709078182       -0.0028500356        2.2271219243
 Pt        13.9376174317       -0.0226303382        9.1847334397
 Pt        15.2310396981        0.8068565519       -0.1021499778
 Pt        15.2992389337        0.7838348032        6.8541515046
 Pt        13.8914091036        1.5912642548        4.5428629443
 Pt        -1.3908230428        2.3994741731        2.2254088111
 Pt        -1.3253254327        2.3780988995        9.1826651449
 Pt        -0.0283652296        3.2099825351       -0.1001924370
 Pt         0.0372507261        3.1866223522        6.8563384092
 Pt        -1.3695798526        3.9941373944        4.5430919052
 Pt         1.3852084725        2.4002041276        2.2199679694
 Pt         1.4511375924        2.3764192445        9.1758721959
 Pt         2.7450758375        3.2091790487       -0.1029532594
 Pt         2.8141424246        3.1845191228        6.8446609839
 Pt         1.4043892708        3.9972761012        4.5447320459
 Pt         4.1606819279        2.3981074521        2.2045121806
 Pt         4.2284771997        2.3753069004        9.1689875322
 Pt         5.5211529930        3.2098396100       -0.1112863569
 Pt         5.5886557926        3.1837204079        6.8352482991
 Pt         4.1798615232        4.0030736923        4.5338044630
 Pt         6.9359172405        2.3988813626        2.2076232264
 Pt         7.0034775091        2.3731681304        9.1689102699
 Pt         8.2945246107        3.2095138139       -0.1166833300
 Pt         8.3626387540        3.1872181198        6.8455714871
 Pt         6.9563562128        3.9955514408        4.5285345007
 Pt         9.7105467249        2.3993707348        2.2165583661
 Pt         9.7780048576        2.3755835361        9.1802981779
 Pt        11.0696045167        3.2088857693       -0.1127617185
 Pt        11.1358822468        3.1876173428        6.8542546254
 Pt         9.7309396350        3.9949697493        4.5321127260
 Pt        12.4837641360        2.3997819588        2.2218385572
 Pt        12.5499690192        2.3781765400        9.1874234451
 Pt        13.8442420682        3.2096981234       -0.1054749204
 Pt        13.9092861739        3.1877426101        6.8577701108
 Pt        12.5040837649        3.9941231283        4.5395080649
 Pt        -2.7783541582        4.8022628691        2.2247931103
 Pt        -2.7122732655        4.7799847633        9.1843680013
 Pt        -1.4150919114        5.6126725754       -0.0984123977
 Pt        -1.3499483837        5.5903373627        6.8606263555
 Pt        -2.7557701936        6.3991859340        4.5386554290
 Pt        -0.0034291866        4.8027979857        2.2315054819
 Pt         0.0616147885        4.7787750765        9.1897371305
 Pt         1.3632090335        5.6148418370       -0.0869964464
 Pt         1.4286936832        5.5892161078        6.8742359037
 Pt         0.0192894371        6.3955619802        4.5534631370
 Pt         2.7729330168        4.8035217203        2.2360598140
 Pt         2.8332874889        4.7655260336        9.1892006862
 Pt         4.1343497352        5.6125683711       -0.0855822624
 Pt         4.2052998930        5.5882298064        6.8973116488
 Pt         2.7964814704        6.4001614908        4.5792009253
 Pt         5.5487564345        4.8028361063        2.2261336033
 Pt         5.6320332106        4.7585241624        9.1801808451
 Pt         6.9051238033        5.6137269953       -0.1050958232
 Pt         6.9766992963        5.5903698431        6.8557123418
 Pt         5.5653227448        6.3993987587        4.5673361783
 Pt         8.3242167190        4.8019391102        2.2150255072
 Pt         8.3956423120        4.7765670709        9.1772032667
 Pt         9.6811900554        5.6105606655       -0.1167849240
 Pt         9.7503800908        5.5908424736        6.8466803336
 Pt         8.3431356181        6.3976041938        4.5318034167
 Pt        11.0976550666        4.8023181468        2.2171559259
 Pt        11.1656845879        4.7799969510        9.1794814911
 Pt        12.4566324335        5.6110451716       -0.1110250821
 Pt        12.5225857474        5.5923576122        6.8506429624
 Pt        11.1172978514        6.4007890323        4.5294303422
 Pt        -4.1635506348        7.2051555418        2.2155424045
 Pt        -4.0972454382        7.1837164894        9.1837003237
 Pt        -2.8038193929        8.0150864293       -0.1080447112
 Pt        -2.7382203161        7.9938528928        6.8533497699
 Pt        -4.1416649725        8.8013065488        4.5298310589
 Pt        -1.3896219961        7.2057448446        2.2287411924
 Pt        -1.3253126679        7.1853734002        9.1844060673
 Pt        -0.0270262952        8.0142992795       -0.0887957178
 Pt         0.0422124847        7.9920700204        6.8631256662
 Pt        -1.3628785572        8.8003832960        4.5393423453
 Pt         1.3854568622        7.2060451079        2.2483368118
 Pt         1.4393802674        7.1810422342        9.2075128462
 Pt         2.7472970616        8.0152814119       -0.0746512155
 Pt         2.8262873568        7.9850485867        6.9282575955
 Pt         1.4178223825        8.7940312549        4.5618697924
 Pt         4.1594660459        7.2055367178        2.2548433850
 Pt         4.2394651482        7.1790160079        9.2916754284
 Pt         5.5220256360        8.0152037624       -0.0824682430
 Pt         5.5903965353        7.9900248157        6.9051330557
 Pt         4.1796022215        8.7956654401        4.5819761007
 Pt         6.9353984724        7.2046122915        2.2299670997
 Pt         7.0291849488        7.1788944564        9.1883601453
 Pt         8.2954727117        8.0128272537       -0.1072000069
 Pt         8.3647481932        7.9948207161        6.8411836998
 Pt         6.9462603283        8.7966457342        4.5401884749
 Pt         9.7111341966        7.2045391656        2.2111643886
 Pt         9.7813697897        7.1854901778        9.1715643937
 Pt        11.0702669168        8.0143233464       -0.1173222969
 Pt        11.1371811751        7.9946726572        6.8443609537
 Pt         9.7280659280        8.8040645354        4.5216128266
 Pt        -5.5511957302        9.6084802551        2.2057533055
 Pt        -5.4826950303        9.5883498803        9.1711831129
 Pt        -4.1911864694       10.4150851249       -0.1177245630
 Pt        -4.1234764858       10.3970058583        6.8437506363
 Pt        -5.5302195770       11.2033157225        4.5237444369
 Pt        -2.7746877624        9.6091438101        2.2130493735
 Pt        -2.7110820036        9.5885510809        9.1771688434
 Pt        -1.4179223615       10.4177493832       -0.1200352136
 Pt        -1.3475889863       10.3954996852        6.8510230622
 Pt        -2.7536731897       11.2024891541        4.5258959500
 Pt        -0.0036094770        9.6096583632        2.2256901727
 Pt         0.0631873775        9.5879302296        9.1854471637
 Pt         1.3602067848       10.4175669973       -0.0907024487
 Pt         1.4291669810       10.3929907165        6.8625698465
 Pt         0.0217738592       11.1996251965        4.5373382877
 Pt         2.7725717923        9.6083584912        2.2474059016
 Pt         2.8371130968        9.6001595430        9.2090515306
 Pt         4.1346696074       10.4135970545       -0.0858020358
 Pt         4.2032365000       10.3933877810        6.8779580754
 Pt         2.7953284085       11.2034389433        4.5533793461
 Pt         5.5467448505        9.6074431401        2.2408322300
 Pt         5.6260447648        9.5984295712        9.1989971166
 Pt         6.9085865998       10.4184980930       -0.0980144728
 Pt         6.9772748064       10.3953557650        6.8517137978
 Pt         5.5644588579       11.2020522129        4.5490193123
 Pt         8.3243936576        9.6081454255        2.2096208165
 Pt         8.3937682605        9.5870897372        9.1751765172
 Pt         9.6845168549       10.4178271713       -0.1263828653
 Pt         9.7500059129       10.3961921491        6.8427416975
 Pt         8.3409686093       11.2007856727        4.5289873113
 Pt        -6.9380897790       12.0084465870        2.2100947841
 Pt        -6.8713598811       11.9917092866        9.1716227039
 Pt        -5.5790438506       12.8202739630       -0.1144733646
 Pt        -5.5102088206       12.7985733600        6.8427681625
 Pt        -6.9177727514       13.6056354665        4.5310164194
 Pt        -4.1627169055       12.0103098955        2.2079783919
 Pt        -4.0978552733       11.9915294742        9.1688372695
 Pt        -2.8026755252       12.8207456251       -0.1185912562
 Pt        -2.7373854242       12.7988263808        6.8405714177
 Pt        -4.1432931685       13.6062412538        4.5212361082
 Pt        -1.3889101601       12.0097201759        2.2103429805
 Pt        -1.3240054382       11.9915784447        9.1729368238
 Pt        -0.0298256538       12.8205078671       -0.1101061515
 Pt         0.0370524851       12.8002861546        6.8504741249
 Pt        -1.3686914008       13.6056515065        4.5259858332
 Pt         1.3852288665       12.0121596503        2.2270297781
 Pt         1.4497327018       11.9904409527        9.1815350771
 Pt         2.7462787511       12.8197878690       -0.0991244949
 Pt         2.8130680839       12.7989284897        6.8610615256
 Pt         1.4049023914       13.6058506297        4.5388990473
 Pt         4.1595466094       12.0119641590        2.2315694137
 Pt         4.2287870846       11.9925904174        9.1916820700
 Pt         5.5206204632       12.8205342534       -0.0993043421
 Pt         5.5879181390       12.7992127781        6.8594106731
 Pt         4.1805162072       13.6062853870        4.5449921303
 Pt         6.9340300596       12.0103255418        2.2236133712
 Pt         7.0041050900       11.9913043874        9.1783223901
 Pt         8.2962834055       12.8211895961       -0.1075227546
 Pt         8.3631767782       12.7997657376        6.8503782280
 Pt         6.9563269731       13.6042274217        4.5383824828
  O         4.4697504281        6.9398527692       11.6272109338
  H         5.3676009363        7.2880103407       11.7770626863
  H         4.5567436189        5.9671769056       11.6512883423
     183
 i =       49, E =    -21650.0157743973
 Pt        -0.0034032135       -0.0031416722        2.2202039922
 Pt         0.0673716020       -0.0268839507        9.1845582083
 Pt         1.3552414856        0.8069407576       -0.1070498528
 Pt         1.4267641686        0.7812795723        6.8501896832
 Pt         0.0199046025        1.5901964223        4.5377509817
 Pt         2.7737452769       -0.0030382126        2.2094944651
 Pt         2.8413546608       -0.0268904704        9.1717808144
 Pt         4.1306671251        0.8063734880       -0.1259035497
 Pt         4.2018151728        0.7815397263        6.8412048276
 Pt         2.7938863037        1.5924196310        4.5268096000
 Pt         5.5458949610       -0.0040083674        2.2051810707
 Pt         5.6165555919       -0.0291410032        9.1701087577
 Pt         6.9050489321        0.8063757722       -0.1167712459
 Pt         6.9753932337        0.7809934770        6.8445052436
 Pt         5.5647192706        1.5904999212        4.5211565292
 Pt         8.3215585959       -0.0036422480        2.2162295576
 Pt         8.3911286995       -0.0297204908        9.1833540233
 Pt         9.6801057058        0.8074012139       -0.1063475595
 Pt         9.7475406125        0.7820422650        6.8521118153
 Pt         8.3410002203        1.5901363991        4.5310247247
 Pt        11.0962771268       -0.0018507827        2.2268830547
 Pt        11.1656235309       -0.0286193269        9.1834146691
 Pt        12.4541564605        0.8076924990       -0.1039710280
 Pt        12.5240101364        0.7832759806        6.8586390938
 Pt        11.1187227793        1.5915551529        4.5421799693
 Pt        13.8706300388       -0.0025653283        2.2264763028
 Pt        13.9413305814       -0.0258395658        9.1844062230
 Pt        15.2279927817        0.8084163641       -0.1038087620
 Pt        15.3007123249        0.7824130378        6.8550380024
 Pt        13.8920246516        1.5907938402        4.5431184945
 Pt        -1.3913745093        2.3993878728        2.2245549052
 Pt        -1.3207964891        2.3746800704        9.1839799424
 Pt        -0.0306512234        3.2123135645       -0.1010790022
 Pt         0.0390882376        3.1850925858        6.8571659982
 Pt        -1.3695257721        3.9931898750        4.5428758420
 Pt         1.3842267339        2.4006800973        2.2212305395
 Pt         1.4555395443        2.3736776076        9.1765122040
 Pt         2.7437877412        3.2112235401       -0.0996796848
 Pt         2.8163431620        3.1826757791        6.8463598104
 Pt         1.4045097256        3.9964328827        4.5456679356
 Pt         4.1600328151        2.3982221593        2.2094425542
 Pt         4.2327822914        2.3716840097        9.1720822166
 Pt         5.5202536919        3.2112135099       -0.1075298712
 Pt         5.5910588998        3.1817494566        6.8389775273
 Pt         4.1803392590        4.0021150043        4.5384866464
 Pt         6.9351079760        2.3986179231        2.2124154726
 Pt         7.0074895371        2.3689719916        9.1729112287
 Pt         8.2928019128        3.2111302104       -0.1128017673
 Pt         8.3634109617        3.1852482573        6.8479955557
 Pt         6.9567653570        3.9946576985        4.5319239560
 Pt         9.7096084814        2.3995536663        2.2201684733
 Pt         9.7814906666        2.3711664070        9.1813243048
 Pt        11.0671963825        3.2107678369       -0.1089527643
 Pt        11.1370690688        3.1854860953        6.8557485058
 Pt         9.7316437244        3.9941401155        4.5357345595
 Pt        12.4834925666        2.3998380167        2.2222237948
 Pt        12.5536343018        2.3733538127        9.1871528647
 Pt        13.8417613426        3.2116251878       -0.1067501942
 Pt        13.9110601985        3.1856995746        6.8587780504
 Pt        12.5051551137        3.9933887137        4.5405410978
 Pt        -2.7787150714        4.8020967817        2.2236291822
 Pt        -2.7075345232        4.7755114116        9.1864142767
 Pt        -1.4171137271        5.6149600549       -0.0996254530
 Pt        -1.3480015950        5.5876442080        6.8605664233
 Pt        -2.7546991496        6.3978169421        4.5388770314
 Pt        -0.0043036850        4.8024661078        2.2312536096
 Pt         0.0664822597        4.7754182754        9.1914451278
 Pt         1.3615249988        5.6167870104       -0.0857699062
 Pt         1.4315187436        5.5871162506        6.8759665179
 Pt         0.0206853595        6.3939656881        4.5538164758
 Pt         2.7722999784        4.8037242201        2.2386155732
 Pt         2.8378035692        4.7613504021        9.1905185206
 Pt         4.1333693500        5.6142341336       -0.0818687486
 Pt         4.2090709536        5.5861671446        6.8986333728
 Pt         2.7973434919        6.3988658373        4.5816216216
 Pt         5.5480064838        4.8025911517        2.2293062619
 Pt         5.6373728156        4.7545703989        9.1825851396
 Pt         6.9044853124        5.6151326176       -0.1027736479
 Pt         6.9799566105        5.5886857178        6.8587520977
 Pt         5.5667394865        6.3983553555        4.5696188354
 Pt         8.3233630278        4.8020710150        2.2185612200
 Pt         8.4007218493        4.7721044755        9.1805032485
 Pt         9.6791811377        5.6123691299       -0.1134948859
 Pt         9.7525903894        5.5892057375        6.8491975034
 Pt         8.3438131113        6.3968697910        4.5356166356
 Pt        11.0968397404        4.8026272922        2.2198982577
 Pt        11.1706772298        4.7748914615        9.1813983929
 Pt        12.4541741807        5.6134212433       -0.1095080623
 Pt        12.5250169635        5.5899609489        6.8521950123
 Pt        11.1184409060        6.3999509695        4.5319134531
 Pt        -4.1637850822        7.2053420653        2.2169085626
 Pt        -4.0924043667        7.1784979235        9.1840421496
 Pt        -2.8062043110        8.0175259521       -0.1071681479
 Pt        -2.7356105519        7.9916134126        6.8527585855
 Pt        -4.1402875923        8.8004878249        4.5311961507
 Pt        -1.3897246110        7.2051709883        2.2287693253
 Pt        -1.3209315200        7.1808669918        9.1828414407
 Pt        -0.0293422519        8.0167861464       -0.0888943812
 Pt         0.0450114992        7.9893848280        6.8626028325
 Pt        -1.3612090160        8.7985057813        4.5380910376
 Pt         1.3848249413        7.2058160194        2.2489120503
 Pt         1.4430118372        7.1773765686        9.2082419466
 Pt         2.7458365309        8.0170398268       -0.0725657392
 Pt         2.8293559570        7.9835673822        6.9276238949
 Pt         1.4192356347        8.7926816757        4.5612786979
 Pt         4.1586591315        7.2056904032        2.2581814546
 Pt         4.2421776495        7.1737992087        9.2885972313
 Pt         5.5206352307        8.0163711745       -0.0797638241
 Pt         5.5947544205        7.9877725726        6.9072559142
 Pt         4.1812198789        8.7948652988        4.5839605430
 Pt         6.9344674124        7.2044146998        2.2320669594
 Pt         7.0340079270        7.1753481015        9.1912365481
 Pt         8.2944969302        8.0144049651       -0.1039535009
 Pt         8.3669816154        7.9929799723        6.8444321688
 Pt         6.9473505749        8.7958114228        4.5423057807
 Pt         9.7102968958        7.2049756769        2.2154826526
 Pt         9.7865010826        7.1811254679        9.1738814774
 Pt        11.0682080170        8.0163699328       -0.1141334100
 Pt        11.1399057830        7.9928022032        6.8461290145
 Pt         9.7289666232        8.8036567474        4.5244300899
 Pt        -5.5512124454        9.6091940033        2.2080970070
 Pt        -5.4780183225        9.5839375818        9.1728858995
 Pt        -4.1936676394       10.4175897648       -0.1172105974
 Pt        -4.1214034043       10.3952085104        6.8450633228
 Pt        -5.5294278934       11.2026999804        4.5255818134
 Pt        -2.7747498368        9.6093053089        2.2134627615
 Pt        -2.7070161640        9.5843777413        9.1758810021
 Pt        -1.4202634848       10.4201291198       -0.1202820183
 Pt        -1.3454365205       10.3930692749        6.8498924140
 Pt        -2.7526115022       11.2010645086        4.5268622602
 Pt        -0.0036762380        9.6097595361        2.2254239615
 Pt         0.0672467853        9.5837623272        9.1843748373
 Pt         1.3577229199       10.4196711574       -0.0910233978
 Pt         1.4321065310       10.3907755150        6.8626848529
 Pt         0.0235121758       11.1975538880        4.5367670628
 Pt         2.7719783205        9.6088941564        2.2479201051
 Pt         2.8411328600        9.5964425947        9.2096185266
 Pt         4.1327224221       10.4149524307       -0.0849069511
 Pt         4.2071465429       10.3911727768        6.8793362612
 Pt         2.7970939257       11.2020362336        4.5539659650
 Pt         5.5458409006        9.6073866862        2.2418479016
 Pt         5.6307293143        9.5950907718        9.2011246413
 Pt         6.9065031796       10.4196054703       -0.0963886003
 Pt         6.9797357210       10.3936548611        6.8529459147
 Pt         5.5656401716       11.2014481275        4.5490091912
 Pt         8.3235380574        9.6085291524        2.2131543690
 Pt         8.3986044043        9.5836372538        9.1773049811
 Pt         9.6819725445       10.4199276104       -0.1228158594
 Pt         9.7521108738       10.3947858418        6.8447594213
 Pt         8.3415588225       11.2004888397        4.5307920126
 Pt        -6.9386558683       12.0094406484        2.2125500692
 Pt        -6.8675338671       11.9884663334        9.1731783815
 Pt        -5.5817784558       12.8223634396       -0.1137638897
 Pt        -5.5086892870       12.7968428345        6.8444743138
 Pt        -6.9173318516       13.6048971650        4.5321316761
 Pt        -4.1632285316       12.0105764166        2.2085685175
 Pt        -4.0947350398       11.9878475668        9.1707857807
 Pt        -2.8055126893       12.8230481136       -0.1182726098
 Pt        -2.7358260802       12.7963894391        6.8424702876
 Pt        -4.1429232165       13.6048767721        4.5236200341
 Pt        -1.3894989334       12.0095574479        2.2105918707
 Pt        -1.3210474797       11.9877838404        9.1737125609
 Pt        -0.0325087204       12.8224051438       -0.1099924379
 Pt         0.0386166404       12.7972254173        6.8510641788
 Pt        -1.3680079206       13.6035284204        4.5279458115
 Pt         1.3848388845       12.0123423373        2.2273641710
 Pt         1.4527859536       11.9865125813        9.1821346373
 Pt         2.7437649905       12.8216340015       -0.0979944453
 Pt         2.8147928046       12.7963788113        6.8604656574
 Pt         1.4056497830       13.6041658176        4.5396485070
 Pt         4.1593363695       12.0125237275        2.2320458089
 Pt         4.2325929183       11.9892256585        9.1921877759
 Pt         5.5177378196       12.8218499385       -0.1009155879
 Pt         5.5896440641       12.7974033199        6.8597199093
 Pt         4.1815146645       13.6055131724        4.5443009464
 Pt         6.9333988237       12.0107610850        2.2238161872
 Pt         7.0082584304       11.9884105836        9.1794186998
 Pt         8.2933557776       12.8228847254       -0.1064244838
 Pt         8.3647522396       12.7984014276        6.8513354275
 Pt         6.9566649834       13.6037538533        4.5388317998
  O         4.4675932914        6.9410063548       11.6268433685
  H         5.3697718029        7.2859213944       11.7795750772
  H         4.5602455523        5.9684444088       11.6480452367
     183
 i =       50, E =    -21650.0158719714
 Pt        -0.0047343059       -0.0023402012        2.2204258672
 Pt         0.0728104913       -0.0316049332        9.1855927507
 Pt         1.3513975938        0.8101330131       -0.1054742365
 Pt         1.4289372609        0.7790485592        6.8517101228
 Pt         0.0200549768        1.5892322520        4.5389980001
 Pt         2.7725492781       -0.0026614286        2.2128276035
 Pt         2.8462040477       -0.0319831402        9.1748937822
 Pt         4.1266107216        0.8095440607       -0.1211326934
 Pt         4.2039505724        0.7782884243        6.8452395481
 Pt         2.7942217470        1.5910804138        4.5299125504
 Pt         5.5450086379       -0.0044395230        2.2093583424
 Pt         5.6209973741       -0.0351399474        9.1752018891
 Pt         6.9016800105        0.8092638701       -0.1125107569
 Pt         6.9771983327        0.7768333393        6.8485081620
 Pt         5.5653694065        1.5884009888        4.5263678093
 Pt         8.3207024641       -0.0040449137        2.2190938511
 Pt         8.3953359434       -0.0360185909        9.1855738783
 Pt         9.6767975937        0.8098381259       -0.1026040524
 Pt         9.7492578871        0.7782325891        6.8536268969
 Pt         8.3416723678        1.5878957561        4.5353978960
 Pt        11.0957802935       -0.0012924573        2.2277168728
 Pt        11.1698912431       -0.0349389863        9.1832435737
 Pt        12.4506299817        0.8099949518       -0.1039323970
 Pt        12.5260707655        0.7800074897        6.8589175641
 Pt        11.1194533815        1.5903785136        4.5442631759
 Pt        13.8700185421       -0.0020837031        2.2255889841
 Pt        13.9464995279       -0.0311309858        9.1847819066
 Pt        15.2241244862        0.8110182352       -0.1056735602
 Pt        15.3028147303        0.7800621055        6.8560681488
 Pt        13.8927318351        1.5899649674        4.5435214487
 Pt        -1.3923520592        2.3995363346        2.2236865198
 Pt        -1.3146673581        2.3693369341        9.1858315864
 Pt        -0.0339570197        3.2154129590       -0.1024133896
 Pt         0.0418413687        3.1826184389        6.8588842061
 Pt        -1.3690568010        3.9918606186        4.5429091467
 Pt         1.3829089366        2.4012356370        2.2227894296
 Pt         1.4616093647        2.3687771119        9.1791093705
 Pt         2.7414840086        3.2143058321       -0.0959588815
 Pt         2.8194288041        3.1798029875        6.8497580928
 Pt         1.4049567283        3.9950541856        4.5477038691
 Pt         4.1591792908        2.3983504514        2.2150766845
 Pt         4.2386992854        2.3661026574        9.1773214075
 Pt         5.5181561369        3.2136342823       -0.1024481362
 Pt         5.5938399572        3.1783461436        6.8446051636
 Pt         4.1810748020        4.0005435419        4.5432680667
 Pt         6.9342738316        2.3983943260        2.2187546722
 Pt         7.0129655964        2.3624201628        9.1791757825
 Pt         8.2901845359        3.2135596902       -0.1081666894
 Pt         8.3655916064        3.1817338949        6.8524129650
 Pt         6.9577324217        3.9929822481        4.5376525375
 Pt         9.7085381469        2.3998050450        2.2242699734
 Pt         9.7868506767        2.3646600191        9.1837628598
 Pt        11.0639563905        3.2133569746       -0.1051981636
 Pt        11.1393911171        3.1823273337        6.8582222947
 Pt         9.7321206488        3.9932231684        4.5397947401
 Pt        12.4828533073        2.4001085679        2.2230556795
 Pt        12.5592288490        2.3667165339        9.1878409805
 Pt        13.8384067845        3.2143453692       -0.1079044146
 Pt        13.9137016072        3.1826583792        6.8600144454
 Pt        12.5061795123        3.9923990339        4.5423102683
 Pt        -2.7793663830        4.8019785163        2.2227261345
 Pt        -2.7007706523        4.7692661516        9.1882824518
 Pt        -1.4201757525        5.6180904555       -0.1015166827
 Pt        -1.3447618207        5.5840608908        6.8610577565
 Pt        -2.7532809850        6.3961294465        4.5392259000
 Pt        -0.0053556766        4.8022377523        2.2306633487
 Pt         0.0732308900        4.7700120747        9.1940809143
 Pt         1.3591543756        5.6193751278       -0.0843610220
 Pt         1.4354085283        5.5840136775        6.8786340390
 Pt         0.0223206608        6.3918407301        4.5541806597
 Pt         2.7714275814        4.8039977472        2.2421249874
 Pt         2.8443716293        4.7556637050        9.1936384740
 Pt         4.1315245662        5.6164965212       -0.0775793397
 Pt         4.2132781283        5.5830516778        6.9016086747
 Pt         2.7986406931        6.3970699670        4.5846597190
 Pt         5.5472891456        4.8024558645        2.2341616872
 Pt         5.6441057971        4.7496113137        9.1870541736
 Pt         6.9025614902        5.6172605491       -0.0992160774
 Pt         6.9842382233        5.5855449282        6.8633654303
 Pt         5.5684204532        6.3968892844        4.5732926010
 Pt         8.3224416098        4.8022132625        2.2226916591
 Pt         8.4076635740        4.7661054695        9.1852843661
 Pt         9.6764191429        5.6150785712       -0.1091806153
 Pt         9.7561987516        5.5863195252        6.8536166644
 Pt         8.3447928234        6.3958614844        4.5404315214
 Pt        11.0960586650        4.8031307253        2.2230485891
 Pt        11.1776664495        4.7678936600        9.1846869324
 Pt        12.4509056360        5.6165807447       -0.1078703199
 Pt        12.5283980060        5.5866159714        6.8544128111
 Pt        11.1199800050        6.3987332559        4.5357552336
 Pt        -4.1641367978        7.2056146399        2.2183959842
 Pt        -4.0853630070        7.1717467711        9.1851728942
 Pt        -2.8095383438        8.0209796055       -0.1070331897
 Pt        -2.7318388433        7.9883221452        6.8525415909
 Pt        -4.1384081547        8.7991981600        4.5327082421
 Pt        -1.3901619816        7.2046293789        2.2277477583
 Pt        -1.3145062856        7.1747920139        9.1824133663
 Pt        -0.0322127403        8.0199468397       -0.0894992290
 Pt         0.0486548063        7.9857506770        6.8626969054
 Pt        -1.3588224819        8.7960531518        4.5366001431
 Pt         1.3840083247        7.2056660731        2.2497587327
 Pt         1.4484360195        7.1717609553        9.2098251011
 Pt         2.7437625856        8.0194039846       -0.0698226256
 Pt         2.8328566978        7.9813123980        6.9275492936
 Pt         1.4210573061        8.7907475815        4.5614241160
 Pt         4.1578990490        7.2059115245        2.2618300294
 Pt         4.2461708254        7.1690818088        9.2847818744
 Pt         5.5184445318        8.0182004153       -0.0767846832
 Pt         5.5992863463        7.9851732293        6.9100465898
 Pt         4.1834050947        8.7938514851        4.5865027812
 Pt         6.9336029085        7.2043283408        2.2356831865
 Pt         7.0406465256        7.1704111252        9.1945989789
 Pt         8.2921813818        8.0168267750       -0.0997764469
 Pt         8.3713124931        7.9904631955        6.8491318303
 Pt         6.9490824336        8.7949030388        4.5458389629
 Pt         9.7096501295        7.2055536806        2.2198680917
 Pt         9.7938892630        7.1746892447        9.1784276569
 Pt        11.0652361420        8.0194289309       -0.1105214576
 Pt        11.1440011339        7.9901598144        6.8494305561
 Pt         9.7306682658        8.8026510770        4.5286725953
 Pt        -5.5514420697        9.6099218892        2.2114571439
 Pt        -5.4714628844        9.5779414900        9.1760888677
 Pt        -4.1973402582       10.4211861716       -0.1158125643
 Pt        -4.1182138575       10.3924669955        6.8470679592
 Pt        -5.5279582233       11.2014838113        4.5284017712
 Pt        -2.7750716273        9.6095030706        2.2136781368
 Pt        -2.7014002467        9.5781624623        9.1753518979
 Pt        -1.4236453975       10.4236213393       -0.1204225482
 Pt        -1.3422729356       10.3895749450        6.8492900485
 Pt        -2.7507489234       11.1989266999        4.5283473160
 Pt        -0.0038985355        9.6097991733        2.2246241479
 Pt         0.0726582252        9.5780591773        9.1842364998
 Pt         1.3546593376       10.4224082498       -0.0912134710
 Pt         1.4356789367       10.3875272759        6.8634997055
 Pt         0.0259145787       11.1948402551        4.5362689003
 Pt         2.7713605243        9.6094289010        2.2491947540
 Pt         2.8466270436        9.5913529468        9.2109978929
 Pt         4.1299546482       10.4170506129       -0.0840163364
 Pt         4.2118994725       10.3886644866        6.8816125203
 Pt         2.7992412169       11.2002862967        4.5548034362
 Pt         5.5449723880        9.6075127807        2.2436233696
 Pt         5.6374605979        9.5907907354        9.2042567125
 Pt         6.9033112767       10.4215327499       -0.0945813728
 Pt         6.9836048121       10.3914249919        6.8557491011
 Pt         5.5672989757       11.2007127387        4.5498827217
 Pt         8.3224734790        9.6090467549        2.2175630142
 Pt         8.4053667928        9.5782425595        9.1817787615
 Pt         9.6780911774       10.4229066477       -0.1180598136
 Pt         9.7556058254       10.3928120027        6.8485414086
 Pt         8.3427645555       11.1998130023        4.5338684185
 Pt        -6.9395614321       12.0105012618        2.2152106081
 Pt        -6.8622049548       11.9836102805        9.1764700569
 Pt        -5.5857076927       12.8255212141       -0.1123280770
 Pt        -5.5062626995       12.7942452349        6.8474406758
 Pt        -6.9164335352       13.6036331686        4.5337408983
 Pt        -4.1640236101       12.0108759105        2.2102971557
 Pt        -4.0898524863       11.9822460293        9.1739337797
 Pt        -2.8096463667       12.8263555182       -0.1168511433
 Pt        -2.7333881162       12.7928308891        6.8454987530
 Pt        -4.1419035478       13.6028431232        4.5270214154
 Pt        -1.3902391753       12.0093939658        2.2114415882
 Pt        -1.3165080542       11.9817310556        9.1754108452
 Pt        -0.0365984928       12.8252246842       -0.1097714170
 Pt         0.0412082471       12.7930329615        6.8523871510
 Pt        -1.3668876161       13.6006190355        4.5307724658
 Pt         1.3843702765       12.0125156823        2.2272914711
 Pt         1.4575492366       11.9807586016        9.1834895384
 Pt         2.7402820043       12.8241394016       -0.0976083780
 Pt         2.8174802631       12.7928196770        6.8606034942
 Pt         1.4066897810       13.6018522129        4.5403777857
 Pt         4.1589265948       12.0130940708        2.2322148751
 Pt         4.2378486613       11.9842796307        9.1938548054
 Pt         5.5140312036       12.8239498979       -0.1024804890
 Pt         5.5923855218       12.7947371531        6.8605786597
 Pt         4.1827099869       13.6044381657        4.5438576161
 Pt         6.9325377512       12.0112827762        2.2243706038
 Pt         7.0139121608       11.9836600146        9.1823673551
 Pt         8.2893440024       12.8255971966       -0.1054642751
 Pt         8.3671780189       12.7963269148        6.8533646019
 Pt         6.9573332413       13.6029864264        4.5393921285
  O         4.4644889120        6.9429331599       11.6238166668
  H         5.3700825543        7.2858563924       11.7735889369
  H         4.5641021686        5.9699996602       11.6391170350
     183
 i =       51, E =    -21650.0159700113
 Pt        -0.0062455094       -0.0014446721        2.2207043826
 Pt         0.0805450178       -0.0386010257        9.1877430066
 Pt         1.3462803128        0.8146990251       -0.1046453705
 Pt         1.4322688415        0.7757165107        6.8547494739
 Pt         0.0210114664        1.5877101496        4.5404082797
 Pt         2.7709044324       -0.0021094271        2.2168903233
 Pt         2.8533342061       -0.0402156142        9.1803875772
 Pt         4.1219521352        0.8137155832       -0.1163414529
 Pt         4.2072051080        0.7738901482        6.8509094354
 Pt         2.7954836543        1.5888438726        4.5344504728
 Pt         5.5440431037       -0.0046419800        2.2145868456
 Pt         5.6282011486       -0.0440482330        9.1820453129
 Pt         6.8972493973        0.8132635351       -0.1075578791
 Pt         6.9803716906        0.7716702371        6.8540389434
 Pt         5.5668975206        1.5855040618        4.5324263635
 Pt         8.3199345090       -0.0043017263        2.2219922852
 Pt         8.4024063222       -0.0441893548        9.1885156864
 Pt         9.6725362068        0.8134579762       -0.0998127282
 Pt         9.7528553099        0.7729595990        6.8561776612
 Pt         8.3422539679        1.5852901232        4.5407162817
 Pt        11.0948289372       -0.0007230310        2.2280192557
 Pt        11.1772281113       -0.0427404439        9.1847053140
 Pt        12.4459657910        0.8134027635       -0.1043593881
 Pt        12.5296415639        0.7755401976        6.8598585836
 Pt        11.1198766736        1.5887120601        4.5464566144
 Pt        13.8688871977       -0.0014875768        2.2244938760
 Pt        13.9540001848       -0.0387729014        9.1856386932
 Pt        15.2188317021        0.8151102449       -0.1076035872
 Pt        15.3062785727        0.7765288994        6.8571026944
 Pt        13.8934585280        1.5886839825        4.5436804547
 Pt        -1.3937173212        2.4000088809        2.2230443264
 Pt        -1.3064244749        2.3615617720        9.1880931125
 Pt        -0.0384140517        3.2194766072       -0.1035729410
 Pt         0.0461215804        3.1788178745        6.8615869024
 Pt        -1.3679799617        3.9902268853        4.5434195282
 Pt         1.3813944515        2.4016671902        2.2250314149
 Pt         1.4699678531        2.3612082486        9.1836843205
 Pt         2.7376835893        3.2185384672       -0.0920887684
 Pt         2.8236894022        3.1753903433        6.8548414830
 Pt         1.4060150139        3.9929498922        4.5508307179
 Pt         4.1582578110        2.3985247474        2.2207435902
 Pt         4.2468197240        2.3581320345        9.1847063732
 Pt         5.5146272776        3.2174362319       -0.0964302198
 Pt         5.5976905629        3.1733997725        6.8518616524
 Pt         4.1824318391        3.9980492853        4.5485928351
 Pt         6.9336480397        2.3984681589        2.2242068471
 Pt         7.0205316210        2.3550206394        9.1859944683
 Pt         8.2866359806        3.2169957247       -0.1033456507
 Pt         8.3693899127        3.1766108109        6.8584356242
 Pt         6.9583483357        3.9910220603        4.5446767286
 Pt         9.7072396341        2.4000429742        2.2283161407
 Pt         9.7946534110        2.3565368657        9.1872732007
 Pt        11.0597979930        3.2168473519       -0.1021844190
 Pt        11.1431858851        3.1778820551        6.8613500284
 Pt         9.7326544298        3.9916370522        4.5437215443
 Pt        12.4815468067        2.4006737490        2.2241761092
 Pt        12.5675368973        2.3585314426        9.1895268071
 Pt        13.8336756781        3.2182232961       -0.1090101350
 Pt        13.9179047399        3.1784062770        6.8614976914
 Pt        12.5069821622        3.9911634553        4.5447983005
 Pt        -2.7802744284        4.8021208309        2.2224243535
 Pt        -2.6916491288        4.7613771041        9.1901464578
 Pt        -1.4243889977        5.6221808176       -0.1034576121
 Pt        -1.3396972685        5.5796797514        6.8624270310
 Pt        -2.7513073363        6.3941973435        4.5400706263
 Pt        -0.0066241973        4.8022515553        2.2300774438
 Pt         0.0818448660        4.7619705151        9.1973128681
 Pt         1.3557645093        5.6228433537       -0.0828653475
 Pt         1.4401503179        5.5797568872        6.8817628893
 Pt         0.0241114778        6.3894477691        4.5545066050
 Pt         2.7704749281        4.8044282613        2.2460356047
 Pt         2.8528973640        4.7480444219        9.1987093824
 Pt         4.1285077889        5.6195572584       -0.0732230346
 Pt         4.2178825392        5.5784984809        6.9059193973
 Pt         2.8005922120        6.3948956105        4.5875262783
 Pt         5.5467356831        4.8026643963        2.2402080294
 Pt         5.6523296492        4.7430638731        9.1942951670
 Pt         6.8989929245        5.6203955578       -0.0946655158
 Pt         6.9890730835        5.5810662203        6.8691746590
 Pt         5.5704911588        6.3951199474        4.5781811595
 Pt         8.3214727527        4.8024398174        2.2273264588
 Pt         8.4160365861        4.7587476339        9.1908061696
 Pt         9.6728051678        5.6188003124       -0.1046380359
 Pt         9.7609472788        5.5821235918        6.8588951781
 Pt         8.3465801357        6.3943502483        4.5451951854
 Pt        11.0951695973        4.8037820978        2.2260471892
 Pt        11.1865954922        4.7594662741        9.1887037048
 Pt        12.4468681990        5.6206866158       -0.1062187352
 Pt        12.5333626999        5.5823866745        6.8573994138
 Pt        11.1212017027        6.3973763456        4.5399523564
 Pt        -4.1644999093        7.2059199535        2.2199978841
 Pt        -4.0762065865        7.1636469502        9.1875411730
 Pt        -2.8141455155        8.0255261174       -0.1077678469
 Pt        -2.7264146419        7.9838821888        6.8534065808
 Pt        -4.1357772397        8.7972666741        4.5344203630
 Pt        -1.3910388145        7.2043476322        2.2260319106
 Pt        -1.3060516198        7.1671109776        9.1835220415
 Pt        -0.0359844884        8.0237633373       -0.0906239727
 Pt         0.0528904427        7.9811943812        6.8637063851
 Pt        -1.3560245613        8.7930547667        4.5357371522
 Pt         1.3830582222        7.2058385816        2.2507032953
 Pt         1.4555616542        7.1641719896        9.2115563162
 Pt         2.7407209591        8.0225971342       -0.0670836324
 Pt         2.8364801516        7.9782746239        6.9277701130
 Pt         1.4231362906        8.7884623487        4.5622083824
 Pt         4.1575144939        7.2062776153        2.2652813826
 Pt         4.2517530887        7.1643082443        9.2814770805
 Pt         5.5152032237        8.0210167092       -0.0737481231
 Pt         5.6044369454        7.9816717341        6.9136067390
 Pt         4.1861209551        8.7925347773        4.5891782453
 Pt         6.9330086900        7.2046318610        2.2405599445
 Pt         7.0489043358        7.1630953162        9.1994099046
 Pt         8.2880676476        8.0202607412       -0.0952235906
 Pt         8.3775179674        7.9867604179        6.8550829668
 Pt         6.9518800845        8.7936968091        4.5510325273
 Pt         9.7090198768        7.2061974036        2.2241069427
 Pt         9.8029907056        7.1657237117        9.1851351674
 Pt        11.0612149042        8.0236315071       -0.1069219354
 Pt        11.1495194393        7.9863280049        6.8541953895
 Pt         9.7329680985        8.8009634355        4.5338672978
 Pt        -5.5520659269        9.6105801190        2.2160392003
 Pt        -5.4631349837        9.5693725954        9.1812115121
 Pt        -4.2022540683       10.4259016035       -0.1132737737
 Pt        -4.1135791743       10.3885226328        6.8499988013
 Pt        -5.5255669411       11.1995436829        4.5325875248
 Pt        -2.7755594110        9.6095394787        2.2138300958
 Pt        -2.6939161627        9.5694309136        9.1766235893
 Pt        -1.4281750241       10.4280884338       -0.1202013359
 Pt        -1.3378551961       10.3848527498        6.8499472937
 Pt        -2.7477558414       11.1958645349        4.5306173514
 Pt        -0.0042842198        9.6097426335        2.2234208043
 Pt         0.0797304666        9.5707756899        9.1855374392
 Pt         1.3506196330       10.4259364833       -0.0912116764
 Pt         1.4398816092       10.3833390851        6.8651120823
 Pt         0.0288829922       11.1916675165        4.5366284965
 Pt         2.7708115758        9.6098912991        2.2509278338
 Pt         2.8535786713        9.5849090333        9.2130424057
 Pt         4.1258458354       10.4202093870       -0.0832303125
 Pt         4.2167202988       10.3852393610        6.8843651151
 Pt         2.8016767810       11.1982230604        4.5556706586
 Pt         5.5443536190        9.6078407259        2.2460790928
 Pt         5.6459769275        9.5850652133        9.2086967112
 Pt         6.8986905529       10.4247810184       -0.0926907069
 Pt         6.9890167886       10.3882205526        6.8603128900
 Pt         5.5695222349       11.1997331280        4.5518973511
 Pt         8.3214434135        9.6095990801        2.2215404713
 Pt         8.4141279904        9.5707631876        9.1879258191
 Pt         9.6735003570       10.4267698390       -0.1138633388
 Pt         9.7606016449       10.3897087265        6.8537900375
 Pt         8.3448236163       11.1987492767        4.5377579303
 Pt        -6.9408444257       12.0115680043        2.2177642286
 Pt        -6.8549959113       11.9758682156        9.1820345257
 Pt        -5.5908230225       12.8300944081       -0.1097595526
 Pt        -5.5027345871       12.7906702625        6.8517854769
 Pt        -6.9149742119       13.6018675013        4.5361285692
 Pt        -4.1651804874       12.0112477232        2.2136255866
 Pt        -4.0827934307       11.9736991209        9.1785651349
 Pt        -2.8151066116       12.8306544637       -0.1141081273
 Pt        -2.7295176551       12.7881848445        6.8497907741
 Pt        -4.1401097500       13.6001699758        4.5315199485
 Pt        -1.3908820254       12.0092509184        2.2131933416
 Pt        -1.3096976319       11.9726407949        9.1788826001
 Pt        -0.0417160495       12.8290979505       -0.1090397692
 Pt         0.0452627949       12.7877046869        6.8547302386
 Pt        -1.3647632040       13.5970480008        4.5347344558
 Pt         1.3838503345       12.0126523183        2.2269036321
 Pt         1.4648213738       11.9733537944        9.1855892457
 Pt         2.7356408823       12.8276281169       -0.0980459358
 Pt         2.8216132676       12.7881995921        6.8618387650
 Pt         1.4082641784       13.5989708917        4.5413204124
 Pt         4.1582678109       12.0136795444        2.2322007156
 Pt         4.2451513197       11.9774380469        9.1967365730
 Pt         5.5093987017       12.8272231004       -0.1035707646
 Pt         5.5965604340       12.7909962868        6.8619258295
 Pt         4.1838321577       13.6029088662        4.5437382133
 Pt         6.9315860867       12.0119672750        2.2254501329
 Pt         7.0217943876       11.9767730034        9.1864984233
 Pt         8.2839052439       12.8297841595       -0.1050622439
 Pt         8.3711736405       12.7932055048        6.8567504211
 Pt         6.9587161533       13.6018012706        4.5402565057
  O         4.4581819990        6.9451849495       11.6202933483
  H         5.3665350871        7.2886533198       11.7577564856
  H         4.5692784253        5.9712188314       11.6263766569
     183
 i =       52, E =    -21650.0160350482
 Pt        -0.0064556029       -0.0013526362        2.2208898845
 Pt         0.0835599760       -0.0416912018        9.1889545845
 Pt         1.3450785551        0.8163319195       -0.1051999532
 Pt         1.4340268154        0.7739909788        6.8563311476
 Pt         0.0220911240        1.5870015308        4.5404005798
 Pt         2.7705785506       -0.0017659135        2.2171980334
 Pt         2.8567257721       -0.0435758544        9.1821045886
 Pt         4.1205808920        0.8151751638       -0.1154690249
 Pt         4.2089806115        0.7720758938        6.8530884130
 Pt         2.7966548843        1.5876937246        4.5359797454
 Pt         5.5438589570       -0.0040486862        2.2157492511
 Pt         5.6318103151       -0.0467168425        9.1826731031
 Pt         6.8959936047        0.8145530592       -0.1065026807
 Pt         6.9826334490        0.7701081374        6.8555923972
 Pt         5.5678290576        1.5844869077        4.5341341042
 Pt         8.3199132812       -0.0039082434        2.2221218138
 Pt         8.4061064130       -0.0465862834        9.1891061158
 Pt         9.6706926264        0.8151028081       -0.1010315620
 Pt         9.7554040322        0.7713651216        6.8572287292
 Pt         8.3426478056        1.5845967585        4.5411908681
 Pt        11.0943033397       -0.0006772072        2.2273264523
 Pt        11.1811195811       -0.0446808161        9.1864695825
 Pt        12.4445057241        0.8150222140       -0.1047797454
 Pt        12.5318021554        0.7740561897        6.8602489111
 Pt        11.1195943755        1.5880850667        4.5465098685
 Pt        13.8682195127       -0.0011799470        2.2244995673
 Pt        13.9569643827       -0.0417099060        9.1861207234
 Pt        15.2179454998        0.8168372134       -0.1067792481
 Pt        15.3081784572        0.7748289870        6.8566538147
 Pt        13.8935993468        1.5880780748        4.5432225241
 Pt        -1.3942053986        2.4003991539        2.2235316753
 Pt        -1.3038303076        2.3584677330        9.1880261242
 Pt        -0.0403591732        3.2208661990       -0.1031095470
 Pt         0.0480087794        3.1769748952        6.8621808694
 Pt        -1.3671641250        3.9897761879        4.5437207065
 Pt         1.3812566863        2.4015399023        2.2260148701
 Pt         1.4727999831        2.3577582766        9.1858008086
 Pt         2.7352843283        3.2197148822       -0.0914913770
 Pt         2.8251863667        3.1734698073        6.8569258785
 Pt         1.4070638447        3.9921248554        4.5521076209
 Pt         4.1580827971        2.3985185157        2.2209026323
 Pt         4.2494442306        2.3555034558        9.1865766142
 Pt         5.5127210051        3.2191761711       -0.0948162863
 Pt         5.5989453342        3.1715794216        6.8536447519
 Pt         4.1832200099        3.9969579912        4.5495337171
 Pt         6.9335148914        2.3987939265        2.2251923877
 Pt         7.0230222610        2.3529237819        9.1868797154
 Pt         8.2852835183        3.2186049801       -0.1028540816
 Pt         8.3717804389        3.1747515621        6.8597579670
 Pt         6.9590394334        3.9900068992        4.5462077924
 Pt         9.7070053247        2.4001373874        2.2282195225
 Pt         9.7978008448        2.3543194418        9.1884791656
 Pt        11.0585455861        3.2181301535       -0.1029360126
 Pt        11.1453401147        3.1763565469        6.8619954450
 Pt         9.7326323757        3.9908606143        4.5442302022
 Pt        12.4807598621        2.4010522218        2.2245351644
 Pt        12.5707877999        2.3566027338        9.1902105973
 Pt        13.8326084305        3.2196275990       -0.1079092651
 Pt        13.9198868020        3.1769417284        6.8611356296
 Pt        12.5067513632        3.9906758209        4.5455032558
 Pt        -2.7807596420        4.8024013432        2.2234053446
 Pt        -2.6889220065        4.7592289113        9.1893202245
 Pt        -1.4263676086        5.6235424090       -0.1034181501
 Pt        -1.3375153078        5.5784284465        6.8628529103
 Pt        -2.7509458544        6.3937887641        4.5403859940
 Pt        -0.0067055460        4.8026339662        2.2304545804
 Pt         0.0841175910        4.7590570717        9.1975199945
 Pt         1.3541009258        5.6239484362       -0.0823871462
 Pt         1.4410957190        5.5777419489        6.8817664159
 Pt         0.0242443305        6.3892009522        4.5543017612
 Pt         2.7703985441        4.8044632301        2.2470214868
 Pt         2.8552447386        4.7456325808        9.2006239778
 Pt         4.1265326710        5.6206951930       -0.0725779914
 Pt         4.2181913375        5.5769287775        6.9078736542
 Pt         2.8012066619        6.3944188242        4.5873511966
 Pt         5.5466240779        4.8031989197        2.2424429632
 Pt         5.6539219681        4.7412161430        9.1976737967
 Pt         6.8964312528        5.6217981343       -0.0922161812
 Pt         6.9898566471        5.5793931294        6.8709103394
 Pt         5.5707538209        6.3947867831        4.5801081091
 Pt         8.3214093021        4.8026302889        2.2284380063
 Pt         8.4179545286        4.7567341688        9.1917886910
 Pt         9.6716435891        5.6202018696       -0.1038140323
 Pt         9.7626155533        5.5804114738        6.8598274055
 Pt         8.3472503237        6.3936897234        4.5463103713
 Pt        11.0949294729        4.8038817003        2.2261320497
 Pt        11.1887601799        4.7575998936        9.1891856807
 Pt        12.4459972187        5.6218436005       -0.1058674972
 Pt        12.5351557741        5.5811212612        6.8577123142
 Pt        11.1216058228        6.3968162158        4.5403322329
 Pt        -4.1647634309        7.2060161469        2.2201249946
 Pt        -4.0739139164        7.1616840344        9.1885980127
 Pt        -2.8151319577        8.0266559150       -0.1083932141
 Pt        -2.7245886309        7.9822328801        6.8544359017
 Pt        -4.1352358134        8.7965628313        4.5347356290
 Pt        -1.3916440468        7.2047840599        2.2253141988
 Pt        -1.3034832502        7.1648047623        9.1848661281
 Pt        -0.0373922010        8.0244862895       -0.0911479191
 Pt         0.0539174783        7.9800824898        6.8641845036
 Pt        -1.3559269588        8.7927574787        4.5364290357
 Pt         1.3828923616        7.2062131075        2.2508658503
 Pt         1.4583331899        7.1612328943        9.2109680723
 Pt         2.7390415307        8.0236993143       -0.0668561439
 Pt         2.8368644907        7.9768119542        6.9277222395
 Pt         1.4233743630        8.7879117897        4.5625866058
 Pt         4.1577241507        7.2065885654        2.2653750763
 Pt         4.2545892297        7.1643352208        9.2825737378
 Pt         5.5134037853        8.0225014437       -0.0729473739
 Pt         5.6049723949        7.9806194870        6.9147648618
 Pt         4.1866158297        8.7920865624        4.5893561164
 Pt         6.9332724700        7.2052502484        2.2428333254
 Pt         7.0507776200        7.1606140349        9.2009678206
 Pt         8.2856838436        8.0215906875       -0.0943069915
 Pt         8.3797640494        7.9851451245        6.8564143217
 Pt         6.9529412609        8.7933464806        4.5530702146
 Pt         9.7089407772        7.2063434829        2.2246143099
 Pt         9.8048258524        7.1635982660        9.1863948829
 Pt        11.0598661360        8.0250643807       -0.1066303052
 Pt        11.1512379162        7.9845929172        6.8555781753
 Pt         9.7338444823        8.8001926932        4.5357472206
 Pt        -5.5527455605        9.6105342105        2.2164161599
 Pt        -5.4610992541        9.5670199926        9.1822146974
 Pt        -4.2038010812       10.4272728865       -0.1115902935
 Pt        -4.1117751106       10.3867420512        6.8509332284
 Pt        -5.5246965575       11.1987916236        4.5338698567
 Pt        -2.7760740433        9.6094732671        2.2139416080
 Pt        -2.6913989272        9.5668177517        9.1780407523
 Pt        -1.4296379705       10.4292524343       -0.1194457427
 Pt        -1.3363050881       10.3834618690        6.8511803719
 Pt        -2.7469658894       11.1952602594        4.5309261606
 Pt        -0.0046273016        9.6097539514        2.2232060545
 Pt         0.0821024460        9.5683985034        9.1867431778
 Pt         1.3490581075       10.4267720704       -0.0907411458
 Pt         1.4407176750       10.3820519132        6.8654517055
 Pt         0.0291995203       11.1915119725        4.5373645922
 Pt         2.7708854176        9.6098610623        2.2515692220
 Pt         2.8559179988        9.5830360552        9.2131599339
 Pt         4.1235882202       10.4216941399       -0.0827524517
 Pt         4.2172106335       10.3838650890        6.8847170671
 Pt         2.8017864928       11.1979121994        4.5555583674
 Pt         5.5446930411        9.6083018028        2.2475805741
 Pt         5.6483026303        9.5831863799        9.2097074695
 Pt         6.8964341417       10.4265649331       -0.0919460907
 Pt         6.9907807884       10.3867533806        6.8617939473
 Pt         5.5700303021       11.1992493012        4.5534056597
 Pt         8.3214883941        9.6098111801        2.2221094700
 Pt         8.4161359715        9.5681052864        9.1894875800
 Pt         9.6719145185       10.4282598700       -0.1137283383
 Pt         9.7626272708       10.3880269948        6.8552535103
 Pt         8.3458639761       11.1980975457        4.5385218266
 Pt        -6.9413753463       12.0115323386        2.2180459962
 Pt        -6.8522847018       11.9728902115        9.1834510152
 Pt        -5.5923216853       12.8319099310       -0.1083186031
 Pt        -5.5009204403       12.7891413539        6.8533420469
 Pt        -6.9140530156       13.6012205199        4.5368883006
 Pt        -4.1657418638       12.0114915399        2.2154489224
 Pt        -4.0796986888       11.9705437636        9.1793338273
 Pt        -2.8165739423       12.8320170310       -0.1119796936
 Pt        -2.7275018894       12.7865711175        6.8511732975
 Pt        -4.1388428604       13.5993503823        4.5331490724
 Pt        -1.3909323338       12.0094889485        2.2142339681
 Pt        -1.3065393411       11.9699419561        9.1796162409
 Pt        -0.0427885121       12.8303618003       -0.1079241799
 Pt         0.0472147621       12.7864590628        6.8557984759
 Pt        -1.3640640908       13.5968282997        4.5353570079
 Pt         1.3837621141       12.0127245279        2.2268517987
 Pt         1.4680349519       11.9711579513        9.1860715955
 Pt         2.7335023105       12.8289340575       -0.0989832776
 Pt         2.8236098073       12.7869298765        6.8626935634
 Pt         1.4088047329       13.5987166390        4.5415788246
 Pt         4.1579327863       12.0137246307        2.2322034338
 Pt         4.2479879742       11.9747193891        9.1974000025
 Pt         5.5077743998       12.8289912518       -0.1025670741
 Pt         5.5984514842       12.7894537442        6.8622358685
 Pt         4.1839223639       13.6023734710        4.5440533098
 Pt         6.9314381413       12.0122766772        2.2263001595
 Pt         7.0244896039       11.9739276538        9.1875521097
 Pt         8.2825450038       12.8315679942       -0.1052986195
 Pt         8.3732399414       12.7914891478        6.8578452014
 Pt         6.9595316121       13.6012108602        4.5405435157
  O         4.4545714560        6.9474166360       11.6184710697
  H         5.3618785953        7.2928453747       11.7494618595
  H         4.5683096970        5.9727132537       11.6253733718
     183
 i =       53, E =    -21650.0161077445
 Pt        -0.0063924096       -0.0013214071        2.2213005055
 Pt         0.0881180741       -0.0465145169        9.1900757839
 Pt         1.3438570618        0.8184765774       -0.1060602122
 Pt         1.4370885106        0.7709125246        6.8581527364
 Pt         0.0242164941        1.5859013431        4.5402102374
 Pt         2.7703780664       -0.0013282643        2.2177222932
 Pt         2.8619686015       -0.0483247426        9.1839650436
 Pt         4.1189974886        0.8172757391       -0.1153520288
 Pt         4.2123992371        0.7696762237        6.8554515942
 Pt         2.7989661423        1.5860235915        4.5374554750
 Pt         5.5436917565       -0.0027577906        2.2166599293
 Pt         5.6376226691       -0.0499748563        9.1826881269
 Pt         6.8941961208        0.8166072906       -0.1061032143
 Pt         6.9869348514        0.7687338230        6.8564570642
 Pt         5.5690233768        1.5836946985        4.5352366706
 Pt         8.3199629732       -0.0028698081        2.2213871483
 Pt         8.4124020078       -0.0488005263        9.1892768503
 Pt         9.6684028631        0.8178711430       -0.1042618812
 Pt         9.7601546997        0.7697416525        6.8582517535
 Pt         8.3437159564        1.5838903763        4.5410724321
 Pt        11.0935245455       -0.0005682764        2.2255943099
 Pt        11.1874823021       -0.0466512464        9.1888241159
 Pt        12.4427522280        0.8175260696       -0.1054774763
 Pt        12.5356414187        0.7721864685        6.8605135058
 Pt        11.1197091064        1.5871265225        4.5453300183
 Pt        13.8672015462       -0.0005712748        2.2248033030
 Pt        13.9617680763       -0.0456496159        9.1865429436
 Pt        15.2168820114        0.8192391896       -0.1050666534
 Pt        15.3114694580        0.7720395031        6.8558286442
 Pt        13.8941775434        1.5870824306        4.5422067637
 Pt        -1.3944311007        2.4010951701        2.2246791119
 Pt        -1.3002372969        2.3538699908        9.1869819793
 Pt        -0.0427102234        3.2226394492       -0.1014642220
 Pt         0.0508659059        3.1737552502        6.8626158757
 Pt        -1.3656694287        3.9892064791        4.5439857818
 Pt         1.3814389942        2.4013304338        2.2273239689
 Pt         1.4764482969        2.3525218698        9.1882569532
 Pt         2.7306563628        3.2214460263       -0.0912817651
 Pt         2.8273407639        3.1704780788        6.8594033486
 Pt         1.4089485713        3.9909585739        4.5534788322
 Pt         4.1578760058        2.3988170793        2.2208972184
 Pt         4.2527194041        2.3520989319        9.1887601953
 Pt         5.5091870095        3.2216713401       -0.0933866567
 Pt         5.6010353674        3.1695168969        6.8556699762
 Pt         4.1846978416        3.9954046344        4.5506712690
 Pt         6.9332244063        2.3998380807        2.2250461285
 Pt         7.0264766383        2.3507295269        9.1865959330
 Pt         8.2828587590        3.2214207042       -0.1032340200
 Pt         8.3752115899        3.1727256696        6.8604586854
 Pt         6.9598988328        3.9889083378        4.5476916319
 Pt         9.7065914599        2.4005299675        2.2260777957
 Pt         9.8022864437        2.3523115154        9.1888101809
 Pt        11.0569486629        3.2202081779       -0.1052898937
 Pt        11.1489328156        3.1743223585        6.8618533897
 Pt         9.7331087677        3.9895789676        4.5437478449
 Pt        12.4795251335        2.4015279031        2.2241839218
 Pt        12.5753356332        2.3544616415        9.1903808814
 Pt        13.8310881185        3.2216943674       -0.1058734323
 Pt        13.9231940804        3.1748311770        6.8599765713
 Pt        12.5067180145        3.9895904979        4.5453628975
 Pt        -2.7812560535        4.8031930036        2.2251999844
 Pt        -2.6859235115        4.7566188600        9.1872128873
 Pt        -1.4287148055        5.6250808158       -0.1025088373
 Pt        -1.3346809193        5.5768404612        6.8629719394
 Pt        -2.7504667945        6.3935986792        4.5405937632
 Pt        -0.0065010629        4.8033520121        2.2315813028
 Pt         0.0870224502        4.7547377180        9.1970117490
 Pt         1.3510736863        5.6255862535       -0.0820033000
 Pt         1.4421994304        5.5747694513        6.8813060111
 Pt         0.0242971133        6.3893030110        4.5537738850
 Pt         2.7704900202        4.8045152292        2.2477857180
 Pt         2.8586113412        4.7423208890        9.2036819543
 Pt         4.1225233900        5.6222418247       -0.0722049784
 Pt         4.2180574549        5.5746283023        6.9104472003
 Pt         2.8020257084        6.3936844377        4.5863773147
 Pt         5.5462636194        4.8041793560        2.2449457130
 Pt         5.6552335943        4.7389651936        9.2012393169
 Pt         6.8913665768        5.6242062584       -0.0881288988
 Pt         6.9902135203        5.5769637217        6.8730332765
 Pt         5.5710428848        6.3938689319        4.5828892223
 Pt         8.3212214060        4.8032615122        2.2292418424
 Pt         8.4199165729        4.7539467893        9.1925306125
 Pt         9.6694334189        5.6225734404       -0.1035883392
 Pt         9.7643424365        5.5778011519        6.8600621086
 Pt         8.3481480191        6.3925311118        4.5476810691
 Pt        11.0943633778        4.8040330413        2.2250683156
 Pt        11.1909674249        4.7559441522        9.1882743756
 Pt        12.4446258221        5.6234587265       -0.1056655413
 Pt        12.5377430995        5.5793639896        6.8573069022
 Pt        11.1221136556        6.3956971864        4.5401991450
 Pt        -4.1655906247        7.2063804751        2.2197822882
 Pt        -4.0717213699        7.1597264147        9.1893814537
 Pt        -2.8166047325        8.0282318663       -0.1090352067
 Pt        -2.7222616918        7.9801612303        6.8561192594
 Pt        -4.1347814892        8.7955998158        4.5350700884
 Pt        -1.3924317588        7.2058046858        2.2250829309
 Pt        -1.3004459619        7.1616698125        9.1866417929
 Pt        -0.0398086139        8.0252279617       -0.0920289833
 Pt         0.0549010996        7.9787135766        6.8646504858
 Pt        -1.3561964470        8.7929986942        4.5375133742
 Pt         1.3827193463        7.2068651849        2.2505898433
 Pt         1.4616930541        7.1576664417        9.2094401319
 Pt         2.7358284304        8.0252279474       -0.0678106159
 Pt         2.8367791240        7.9747093583        6.9270417977
 Pt         1.4229948223        8.7878696641        4.5625862784
 Pt         4.1580330312        7.2072016926        2.2649302003
 Pt         4.2579439571        7.1638387697        9.2845139654
 Pt         5.5097687931        8.0251502446       -0.0716793578
 Pt         5.6047889843        7.9785708826        6.9160827464
 Pt         4.1867042832        8.7913079692        4.5890889635
 Pt         6.9335692220        7.2065650994        2.2460001801
 Pt         7.0522792535        7.1575640824        9.2027479363
 Pt         8.2812014546        8.0237067050       -0.0932051198
 Pt         8.3816277274        7.9824784183        6.8576156641
 Pt         6.9540261785        8.7925871176        4.5555259964
 Pt         9.7086674828        7.2065242337        2.2246073587
 Pt         9.8060243036        7.1611181032        9.1869378422
 Pt        11.0576862964        8.0271343470       -0.1072171866
 Pt        11.1532966345        7.9817632476        6.8562474394
 Pt         9.7347627719        8.7990348811        4.5367411394
 Pt        -5.5539726364        9.6104572447        2.2164300555
 Pt        -5.4586508992        9.5640836009        9.1828918191
 Pt        -4.2055526503       10.4291418158       -0.1093970579
 Pt        -4.1091291458       10.3839187718        6.8517758418
 Pt        -5.5237341098       11.1976850521        4.5346557681
 Pt        -2.7772367823        9.6097764271        2.2145078942
 Pt        -2.6879376090        9.5635708581        9.1808346589
 Pt        -1.4314598259       10.4304694553       -0.1178885360
 Pt        -1.3341638534       10.3816173663        6.8534618617
 Pt        -2.7463419440       11.1947876674        4.5318399659
 Pt        -0.0054918512        9.6099422411        2.2236150556
 Pt         0.0854705206        9.5651763011        9.1884669083
 Pt         1.3461864584       10.4277098250       -0.0901282458
 Pt         1.4415666545       10.3805933534        6.8657442238
 Pt         0.0290920097       11.1919442419        4.5385079654
 Pt         2.7708289651        9.6097497171        2.2518731999
 Pt         2.8587262048        9.5808891644        9.2124905449
 Pt         4.1200990589       10.4241879823       -0.0816482601
 Pt         4.2174069937       10.3819616201        6.8845743765
 Pt         2.8015004150       11.1979289794        4.5553763755
 Pt         5.5453450589        9.6092803138        2.2498934789
 Pt         5.6510210096        9.5801377646        9.2105805481
 Pt         6.8924046836       10.4296754135       -0.0904863897
 Pt         6.9928452251       10.3844457881        6.8631169088
 Pt         5.5705331314       11.1986196092        4.5555879965
 Pt         8.3218197597        9.6103094767        2.2222224004
 Pt         8.4181117771        9.5648027930        9.1908797946
 Pt         9.6693016639       10.4302937234       -0.1148556567
 Pt         9.7651560041       10.3849772350        6.8562884033
 Pt         8.3474813739       11.1970391937        4.5392541583
 Pt        -6.9419324428       12.0114819297        2.2179717930
 Pt        -6.8482635672       11.9687029820        9.1843366034
 Pt        -5.5939050371       12.8341927044       -0.1066710082
 Pt        -5.4977522857       12.7863866612        6.8547060146
 Pt        -6.9123083334       13.6003088451        4.5377892365
 Pt        -4.1665323312       12.0120021622        2.2174114703
 Pt        -4.0747719339       11.9664251120        9.1798877435
 Pt        -2.8178610025       12.8337931670       -0.1087419770
 Pt        -2.7240318369       12.7843999584        6.8524578819
 Pt        -4.1375074797       13.5986037908        4.5344472731
 Pt        -1.3912188633       12.0100606409        2.2159217802
 Pt        -1.3012674113       11.9667097977        9.1809394349
 Pt        -0.0443835706       12.8320832895       -0.1061351634
 Pt         0.0506654380       12.7852769459        6.8569046160
 Pt        -1.3627772641       13.5968734167        4.5361937227
 Pt         1.3836258292       12.0127529751        2.2271652599
 Pt         1.4729498437       11.9686355104        9.1863407745
 Pt         2.7303689187       12.8311373099       -0.1004934388
 Pt         2.8266565391       12.7855464682        6.8637655430
 Pt         1.4096243706       13.5988435935        4.5417145683
 Pt         4.1573946706       12.0140246299        2.2325038514
 Pt         4.2519476172       11.9718273029        9.1981154267
 Pt         5.5054414492       12.8318223659       -0.0999265074
 Pt         5.6013460141       12.7872322017        6.8626261078
 Pt         4.1841485907       13.6017417904        4.5444395462
 Pt         6.9313404473       12.0128878199        2.2277394151
 Pt         7.0282928968       11.9699221171        9.1884530119
 Pt         8.2810592568       12.8338301277       -0.1054659791
 Pt         8.3763883165       12.7886666950        6.8584675293
 Pt         6.9608622881       13.6003570387        4.5407561582
  O         4.4501004646        6.9514427181       11.6169146214
  H         5.3553865444        7.3011742194       11.7362264633
  H         4.5657931038        5.9761208996       11.6299059949
     183
 i =       54, E =    -21650.0161584959
 Pt        -0.0064760796       -0.0010969389        2.2218578383
 Pt         0.0924613246       -0.0506973771        9.1905338398
 Pt         1.3423497846        0.8201925043       -0.1056843169
 Pt         1.4403159373        0.7680364307        6.8592913449
 Pt         0.0259125733        1.5849049870        4.5405543822
 Pt         2.7702657770       -0.0009776957        2.2183367496
 Pt         2.8666133809       -0.0523665648        9.1851485369
 Pt         4.1170956222        0.8191268131       -0.1148802464
 Pt         4.2156555277        0.7675040060        6.8568034020
 Pt         2.8006905578        1.5849324841        4.5387465098
 Pt         5.5435310906       -0.0016898331        2.2175008573
 Pt         5.6425379329       -0.0529727490        9.1829569686
 Pt         6.8922449930        0.8188694912       -0.1060435733
 Pt         6.9904800780        0.7673657671        6.8569614060
 Pt         5.5706520818        1.5829582828        4.5361014185
 Pt         8.3196371905       -0.0019878888        2.2211114890
 Pt         8.4175756447       -0.0507505686        9.1893081487
 Pt         9.6666483803        0.8204034126       -0.1060532487
 Pt         9.7638774570        0.7683999433        6.8583748937
 Pt         8.3448916296        1.5834316252        4.5407302881
 Pt        11.0926890804       -0.0002791717        2.2245054504
 Pt        11.1926513231       -0.0485693630        9.1896760044
 Pt        12.4408648437        0.8198212505       -0.1061641503
 Pt        12.5389830427        0.7703605174        6.8604132043
 Pt        11.1205765300        1.5861766258        4.5441703414
 Pt        13.8666173950        0.0001069285        2.2251531967
 Pt        13.9663150083       -0.0488724891        9.1868229603
 Pt        15.2153298767        0.8210993015       -0.1039472313
 Pt        15.3145566022        0.7694946817        6.8555127570
 Pt        13.8952963476        1.5861570802        4.5416939558
 Pt        -1.3946387900        2.4015740604        2.2255486840
 Pt        -1.2965448791        2.3500437262        9.1864261858
 Pt        -0.0450019622        3.2240880509       -0.1000558656
 Pt         0.0535973318        3.1711187648        6.8627627098
 Pt        -1.3644493425        3.9885066021        4.5441820151
 Pt         1.3814785753        2.4013128548        2.2285227421
 Pt         1.4800288385        2.3482546709        9.1894367204
 Pt         2.7276241308        3.2230282178       -0.0907676948
 Pt         2.8295428924        3.1679262211        6.8611495966
 Pt         1.4103949317        3.9900759723        4.5544543862
 Pt         4.1575116525        2.3992119259        2.2214585500
 Pt         4.2560147274        2.3485516265        9.1906855623
 Pt         5.5052514802        3.2238428936       -0.0924862926
 Pt         5.6029910357        3.1675852090        6.8571397630
 Pt         4.1857639746        3.9944178405        4.5521220745
 Pt         6.9327946684        2.4008219835        2.2249679079
 Pt         7.0300163603        2.3481782582        9.1867714363
 Pt         8.2801988075        3.2240575758       -0.1034026149
 Pt         8.3780724438        3.1711266367        6.8606283992
 Pt         6.9610420209        3.9878912396        4.5488355647
 Pt         9.7059458746        2.4010049276        2.2245871906
 Pt         9.8064777053        2.3503716128        9.1886704126
 Pt        11.0550353180        3.2226710317       -0.1068497929
 Pt        11.1520626283        3.1725249544        6.8610689098
 Pt         9.7340501290        3.9883707182        4.5431174009
 Pt        12.4788108175        2.4020662840        2.2235716286
 Pt        12.5795423984        2.3521421354        9.1900942469
 Pt        13.8292578818        3.2237120520       -0.1048883070
 Pt        13.9261618111        3.1728278640        6.8593399650
 Pt        12.5075904848        3.9884550612        4.5447034484
 Pt        -2.7816871208        4.8038759768        2.2259702788
 Pt        -2.6829400152        4.7538195441        9.1861999133
 Pt        -1.4310531918        5.6265851543       -0.1013784965
 Pt        -1.3322831375        5.5749803732        6.8629802395
 Pt        -2.7498626994        6.3930104083        4.5407751133
 Pt        -0.0064749795        4.8039311785        2.2326356560
 Pt         0.0903732211        4.7505582054        9.1969740344
 Pt         1.3478906755        5.6271874794       -0.0820358411
 Pt         1.4436575528        5.5722530965        6.8812607454
 Pt         0.0249351874        6.3890874304        4.5535882707
 Pt         2.7701897930        4.8047618247        2.2485636211
 Pt         2.8610256465        4.7388978556        9.2055528706
 Pt         4.1183270857        5.6240134637       -0.0715712639
 Pt         4.2184733006        5.5725856731        6.9121025895
 Pt         2.8025218188        6.3929837022        4.5860561730
 Pt         5.5455729530        4.8049087883        2.2467713839
 Pt         5.6570986872        4.7361697901        9.2035809606
 Pt         6.8878664636        5.6265066728       -0.0852717283
 Pt         6.9910025729        5.5749571252        6.8747138499
 Pt         5.5714099001        6.3930478270        4.5848473796
 Pt         8.3206407276        4.8039318051        2.2298752631
 Pt         8.4219192033        4.7515194464        9.1929761973
 Pt         9.6666932528        5.6251471344       -0.1033941578
 Pt         9.7659261313        5.5756614340        6.8602154606
 Pt         8.3489476987        6.3912838972        4.5490533130
 Pt        11.0937041557        4.8042773880        2.2243308161
 Pt        11.1935063421        4.7539633360        9.1874058592
 Pt        12.4425713819        5.6255268827       -0.1054280404
 Pt        12.5399886924        5.5775079492        6.8567648698
 Pt        11.1228334103        6.3943739775        4.5400223746
 Pt        -4.1664962023        7.2068280873        2.2198038553
 Pt        -4.0693826177        7.1573222452        9.1896479183
 Pt        -2.8187752292        8.0298833961       -0.1086564066
 Pt        -2.7203891448        7.9783123566        6.8571450443
 Pt        -4.1344504688        8.7946134410        4.5355371622
 Pt        -1.3931414896        7.2066267268        2.2254431361
 Pt        -1.2976089376        7.1583132584        9.1872415306
 Pt        -0.0429093606        8.0265841043       -0.0926324389
 Pt         0.0562446138        7.9770801291        6.8645736190
 Pt        -1.3561751348        8.7929689209        4.5383432986
 Pt         1.3824049274        7.2073713297        2.2501584516
 Pt         1.4645011401        7.1543225467        9.2082867299
 Pt         2.7318392217        8.0270086171       -0.0690894569
 Pt         2.8373272194        7.9729461398        6.9259270885
 Pt         1.4229524304        8.7878308012        4.5617867413
 Pt         4.1576270007        7.2078233155        2.2651022131
 Pt         4.2602552678        7.1609843507        9.2849657744
 Pt         5.5056444986        8.0275613247       -0.0702088494
 Pt         5.6050175126        7.9763823812        6.9171917203
 Pt         4.1868000530        8.7905062271        4.5890276134
 Pt         6.9332264753        7.2075414937        2.2482938077
 Pt         7.0539526452        7.1548608653        9.2045081730
 Pt         8.2773351025        8.0260067012       -0.0922447872
 Pt         8.3826239343        7.9801479871        6.8584909625
 Pt         6.9546155111        8.7916254540        4.5571268340
 Pt         9.7080252280        7.2068313214        2.2246412735
 Pt         9.8077400581        7.1585587092        9.1871385713
 Pt        11.0551289988        8.0292687984       -0.1074815939
 Pt        11.1547091092        7.9791865576        6.8564563049
 Pt         9.7355460373        8.7976271891        4.5370630622
 Pt        -5.5548963831        9.6107022878        2.2162499261
 Pt        -5.4558616731        9.5611194396        9.1831447076
 Pt        -4.2074958599       10.4309083083       -0.1082911361
 Pt        -4.1069247051       10.3814558286        6.8527570639
 Pt        -5.5229267164       11.1965649635        4.5352146914
 Pt        -2.7783599191        9.6103254709        2.2153970978
 Pt        -2.6845130639        9.5605201348        9.1828969443
 Pt        -1.4334197374       10.4318238137       -0.1166437838
 Pt        -1.3322551837       10.3800909454        6.8550084051
 Pt        -2.7459154318       11.1944508302        4.5330986561
 Pt        -0.0062958101        9.6103027610        2.2239123442
 Pt         0.0887724285        9.5621409704        9.1891916111
 Pt         1.3430774906       10.4293569341       -0.0901746860
 Pt         1.4429421195       10.3791346092        6.8655574973
 Pt         0.0292907383       11.1921284520        4.5393328928
 Pt         2.7703574806        9.6099061236        2.2515649066
 Pt         2.8615827974        9.5784326016        9.2114786363
 Pt         4.1164912349       10.4265967620       -0.0807470192
 Pt         4.2186469625       10.3802280299        6.8845163534
 Pt         2.8017296680       11.1975732969        4.5552506375
 Pt         5.5451594520        9.6100987616        2.2514802471
 Pt         5.6535621107        9.5770468495        9.2109907526
 Pt         6.8893995268       10.4321415336       -0.0890831877
 Pt         6.9944387159       10.3821131307        6.8638515499
 Pt         5.5710334052       11.1978335246        4.5568436412
 Pt         8.3216939710        9.6109540434        2.2226778091
 Pt         8.4207703405        9.5614207559        9.1920368635
 Pt         9.6667916195       10.4322560445       -0.1155842798
 Pt         9.7671428430       10.3821304073        6.8565738584
 Pt         8.3484500973       11.1959257477        4.5398223442
 Pt        -6.9422686913       12.0117113004        2.2181602101
 Pt        -6.8442845900       11.9649091403        9.1845773239
 Pt        -5.5954969754       12.8360043402       -0.1058712235
 Pt        -5.4946733652       12.7837958080        6.8555146222
 Pt        -6.9109981356       13.5993090823        4.5385527602
 Pt        -4.1671210714       12.0126239277        2.2185417083
 Pt        -4.0701980668       11.9630082210        9.1806740342
 Pt        -2.8192408762       12.8356652161       -0.1069259923
 Pt        -2.7208480046       12.7826499489        6.8536340811
 Pt        -4.1360505847       13.5978245608        4.5356002038
 Pt        -1.3917626976       12.0108267162        2.2173147164
 Pt        -1.2965029869       11.9640144375        9.1822421033
 Pt        -0.0462627314       12.8339621254       -0.1049212923
 Pt         0.0535019501       12.7840840019        6.8577667810
 Pt        -1.3618484922       13.5969262993        4.5369980383
 Pt         1.3831095862       12.0130099058        2.2274024519
 Pt         1.4773679989       11.9665300887        9.1866211789
 Pt         2.7279724660       12.8332563230       -0.1008237988
 Pt         2.8294134574       12.7840868995        6.8642732080
 Pt         1.4105038606       13.5987403730        4.5418102247
 Pt         4.1567217597       12.0144146960        2.2332462206
 Pt         4.2562232009       11.9689036141        9.1989891530
 Pt         5.5030402148       12.8342036627       -0.0982102194
 Pt         5.6038708954       12.7851029081        6.8629693547
 Pt         4.1848428062       13.6010780870        4.5445369060
 Pt         6.9311696515       12.0136092035        2.2290599757
 Pt         7.0319977568       11.9662549844        9.1889209415
 Pt         8.2793615316       12.8357625971       -0.1050358798
 Pt         8.3791848904       12.7858886746        6.8589095194
 Pt         6.9620615071       13.5994979105        4.5412047468
  O         4.4471963407        6.9557469358       11.6165820922
  H         5.3521852580        7.3080492828       11.7288161282
  H         4.5638922928        5.9804882543       11.6374738204
     183
 i =       55, E =    -21650.0164035721
 Pt        -0.0079124581        0.0004767907        2.2260986224
 Pt         0.1173752600       -0.0740030305        9.1953044844
 Pt         1.3315461797        0.8299906799       -0.1011433640
 Pt         1.4569986400        0.7529672285        6.8654344374
 Pt         0.0339759211        1.5791087951        4.5438666562
 Pt         2.7688300318        0.0008517882        2.2241261674
 Pt         2.8912235673       -0.0747917623        9.1925166782
 Pt         4.1051829813        0.8297919920       -0.1100978298
 Pt         4.2323786857        0.7554396249        6.8650448042
 Pt         2.8089971237        1.5790687495        4.5465502582
 Pt         5.5418640287        0.0029651061        2.2233678579
 Pt         5.6680454580       -0.0713065956        9.1879126654
 Pt         6.8802504029        0.8315880150       -0.1033436286
 Pt         7.0082079852        0.7584007350        6.8616363630
 Pt         5.5783443278        1.5791909091        4.5426051071
 Pt         8.3171676461        0.0021571031        2.2219516367
 Pt         8.4452059259       -0.0651536744        9.1926353191
 Pt         9.6550901076        0.8343629721       -0.1102938802
 Pt         9.7820088328        0.7592172150        6.8601680052
 Pt         8.3516689124        1.5799176463        4.5415790350
 Pt        11.0887468429        0.0018053762        2.2214481950
 Pt        11.2202473850       -0.0629783638        9.1938580727
 Pt        12.4289654656        0.8325057136       -0.1083977533
 Pt        12.5557961302        0.7592445905        6.8607168867
 Pt        11.1262727688        1.5807225483        4.5408416034
 Pt        13.8633255022        0.0032567594        2.2270079850
 Pt        13.9913680363       -0.0675528295        9.1889458562
 Pt        15.2042105172        0.8313900185       -0.0995168954
 Pt        15.3309552095        0.7556889380        6.8564711379
 Pt        13.9015690669        1.5806771082        4.5408677338
 Pt        -1.3964164490        2.4038574315        2.2293525247
 Pt        -1.2745152175        2.3287081522        9.1862650375
 Pt        -0.0585661464        3.2326763980       -0.0936138166
 Pt         0.0684627367        3.1567612675        6.8651139634
 Pt        -1.3582285825        3.9839736067        4.5456833458
 Pt         1.3803847827        2.4019784452        2.2352554157
 Pt         1.5022632294        2.3243255893        9.1975221697
 Pt         2.7122477426        3.2327242528       -0.0856100392
 Pt         2.8426268104        3.1540666663        6.8701785942
 Pt         1.4171062767        3.9849652984        4.5597029047
 Pt         4.1550056235        2.4015798559        2.2280057679
 Pt         4.2772225890        2.3271097799        9.2031802587
 Pt         5.4871257195        3.2356081085       -0.0856070471
 Pt         5.6150368180        3.1566087644        6.8668733280
 Pt         4.1916836766        3.9892081618        4.5616295581
 Pt         6.9297612433        2.4055610900        2.2276998931
 Pt         7.0513248573        2.3313989684        9.1918631723
 Pt         8.2652231090        3.2381107514       -0.1013836522
 Pt         8.3926709634        3.1612298024        6.8641302179
 Pt         6.9667246341        3.9828563219        4.5566116818
 Pt         9.7024355439        2.4036633561        2.2209717182
 Pt         9.8302937502        2.3361942959        9.1904747924
 Pt        11.0425445005        3.2365597797       -0.1105798907
 Pt        11.1681302418        3.1616290405        6.8597697983
 Pt         9.7398874029        3.9820039761        4.5430533337
 Pt        12.4751633187        2.4044016880        2.2214020108
 Pt        12.6036302930        2.3360904413        9.1908606018
 Pt        13.8172646541        3.2350522600       -0.1017436392
 Pt        13.9419207615        3.1610065734        6.8581338551
 Pt        12.5131983854        3.9821289267        4.5430043456
 Pt        -2.7844332887        4.8068771294        2.2287375510
 Pt        -2.6640682572        4.7360057754        9.1846231326
 Pt        -1.4455656890        5.6357184264       -0.0965750925
 Pt        -1.3190677654        5.5636555915        6.8637223952
 Pt        -2.7456142201        6.3887867157        4.5423534411
 Pt        -0.0077924244        4.8063397513        2.2373062586
 Pt         0.1098100157        4.7279289441        9.1989216640
 Pt         1.3287252699        5.6367918340       -0.0815999770
 Pt         1.4532705637        5.5585985439        6.8825407294
 Pt         0.0288705369        6.3863542127        4.5533131807
 Pt         2.7675435357        4.8062319754        2.2540924166
 Pt         2.8773993378        4.7176514933        9.2153959307
 Pt         4.0974453156        5.6353022795       -0.0655113381
 Pt         4.2246315047        5.5603392487        6.9211496972
 Pt         2.8060446728        6.3885519452        4.5866890279
 Pt         5.5413746244        4.8083797424        2.2570096689
 Pt         5.6715623675        4.7178788996        9.2160264943
 Pt         6.8695542461        5.6390230411       -0.0715348233
 Pt         6.9978065524        5.5629059367        6.8852598392
 Pt         5.5747331984        6.3877199082        4.5953864021
 Pt         8.3168785956        4.8071950941        2.2352601189
 Pt         8.4371148863        4.7354506916        9.1978456272
 Pt         9.6507278282        5.6389274993       -0.1002737507
 Pt         9.7760173138        5.5635854057        6.8631322464
 Pt         8.3533576240        6.3846723973        4.5573807078
 Pt        11.0898994664        4.8059397473        2.2231179646
 Pt        11.2111008707        4.7390747806        9.1863042001
 Pt        12.4292642470        5.6378244643       -0.1032831744
 Pt        12.5529889721        5.5662544807        6.8565156237
 Pt        11.1273653509        6.3870780547        4.5411350611
 Pt        -4.1713203545        7.2093219266        2.2214433301
 Pt        -4.0522549964        7.1403313286        9.1925412761
 Pt        -2.8325258672        8.0404292405       -0.1054792680
 Pt        -2.7091310138        7.9672480329        6.8618571516
 Pt        -4.1313495680        8.7889222248        4.5393698091
 Pt        -1.3969060771        7.2103479120        2.2277735830
 Pt        -1.2795256668        7.1385280798        9.1891177928
 Pt        -0.0604324951        8.0358497969       -0.0951057285
 Pt         0.0655885725        7.9670851058        6.8640358833
 Pt        -1.3542794895        8.7908229226        4.5417434369
 Pt         1.3794433955        7.2095929929        2.2482743999
 Pt         1.4828537694        7.1343218675        9.2044279347
 Pt         2.7106603863        8.0375463316       -0.0739123846
 Pt         2.8429870254        7.9629703695        6.9206711884
 Pt         1.4243475689        8.7858908472        4.5574575588
 Pt         4.1540619051        7.2108872468        2.2682865373
 Pt         4.2746827526        7.1418946363        9.2849630903
 Pt         5.4844673238        8.0402521530       -0.0613979218
 Pt         5.6101758991        7.9633029316        6.9239271660
 Pt         4.1890692363        8.7860215661        4.5899676392
 Pt         6.9299442586        7.2117786049        2.2593925833
 Pt         7.0673130713        7.1375999255        9.2148916552
 Pt         8.2586584661        8.0384701867       -0.0855163197
 Pt         8.3898281801        7.9671278614        6.8652415504
 Pt         6.9583507417        8.7858475589        4.5656407472
 Pt         9.7039382598        7.2087904202        2.2273129835
 Pt         9.8222259616        7.1416817019        9.1913837425
 Pt        11.0403676497        8.0418670877       -0.1066278417
 Pt        11.1643519348        7.9654462355        6.8591683903
 Pt         9.7397639920        8.7901642304        4.5402385293
 Pt        -5.5594316694        9.6126773237        2.2179282850
 Pt        -5.4374520300        9.5427524619        9.1866482148
 Pt        -4.2197763653       10.4419599878       -0.1028586765
 Pt        -4.0942890878       10.3681531570        6.8589646620
 Pt        -5.5182388379       11.1901919869        4.5398493129
 Pt        -2.7837335751        9.6134760433        2.2204965552
 Pt        -2.6641090966        9.5418690540        9.1915023700
 Pt        -1.4461896121       10.4415906626       -0.1108986730
 Pt        -1.3209465324       10.3700833157        6.8616348099
 Pt        -2.7424667116       11.1909131651        4.5403179568
 Pt        -0.0106939256        9.6125903348        2.2250085155
 Pt         0.1086732361        9.5439821072        9.1911350524
 Pt         1.3261580115       10.4398860303       -0.0913956872
 Pt         1.4525452983       10.3700629442        6.8648313811
 Pt         0.0318532288       11.1907808730        4.5428520842
 Pt         2.7668608516        9.6113810423        2.2498585668
 Pt         2.8795933138        9.5621330620        9.2071080516
 Pt         4.0973131340       10.4392508590       -0.0769608463
 Pt         4.2282372376       10.3701252610        6.8854210500
 Pt         2.8043964010       11.1945231292        4.5550437190
 Pt         5.5428543100        9.6138705458        2.2587736853
 Pt         5.6713009988        9.5577301226        9.2143899466
 Pt         6.8731166404       10.4442252017       -0.0814770798
 Pt         7.0049304497       10.3693041588        6.8686460115
 Pt         5.5747336888       11.1931817890        4.5623480230
 Pt         8.3196509702        9.6141973256        2.2270479663
 Pt         8.4389980296        9.5415824114        9.1995449552
 Pt         9.6523750855       10.4440178033       -0.1160795823
 Pt         9.7786372478       10.3673775866        6.8601902887
 Pt         8.3538461393       11.1896333633        4.5442599809
 Pt        -6.9444789780       12.0135317347        2.2214476112
 Pt        -6.8217247303       11.9436501940        9.1881797468
 Pt        -5.6061753236       12.8464290268       -0.1012024104
 Pt        -5.4785317164       12.7696432200        6.8615399771
 Pt        -6.9037545300       13.5932426398        4.5438466746
 Pt        -4.1703208007       12.0158169415        2.2248942149
 Pt        -4.0457198933       11.9430981500        9.1869077190
 Pt        -2.8293383296       12.8467425304       -0.0985018026
 Pt        -2.7045017324       12.7716958072        6.8610700568
 Pt        -4.1292215380       13.5931050492        4.5429378529
 Pt        -1.3952589973       12.0144819110        2.2240159907
 Pt        -1.2711920617       11.9471230526        9.1892874125
 Pt        -0.0584660674       12.8455574536       -0.0993727512
 Pt         0.0688247964       12.7752395178        6.8624757112
 Pt        -1.3560567588       13.5948169910        4.5425470955
 Pt         1.3796069141       12.0146960158        2.2287896457
 Pt         1.5016878345       11.9521338187        9.1883316642
 Pt         2.7142268534       12.8456523589       -0.1010181764
 Pt         2.8441087332       12.7744559304        6.8667679440
 Pt         1.4155858984       13.5961692458        4.5430073793
 Pt         4.1532758207       12.0168803492        2.2367588445
 Pt         4.2800692462       11.9513965678        9.2040256854
 Pt         5.4895452282       12.8461982485       -0.0918317506
 Pt         5.6179334723       12.7731382318        6.8659439576
 Pt         4.1894167500       13.5966930022        4.5454324538
 Pt         6.9292149281       12.0171450096        2.2353682834
 Pt         7.0544808285       11.9451486126        9.1938308751
 Pt         8.2677820066       12.8465492922       -0.1013940588
 Pt         8.3942697060       12.7713726996        6.8626367811
 Pt         6.9682579787       13.5943078908        4.5445729406
  O         4.4305477491        6.9806869080       11.6124657784
  H         5.3367382204        7.3410761826       11.7003980000
  H         4.5526303008        6.0057805956       11.6714982760
     183
 i =       56, E =    -21650.0093231341
 Pt        -0.0188275351        0.0104420533        2.2610539233
 Pt         0.2815620429       -0.2274616593        9.2327012449
 Pt         1.2563796339        0.8952233755       -0.0648703029
 Pt         1.5667792961        0.6532866452        6.9110805931
 Pt         0.0849308581        1.5396073645        4.5734736602
 Pt         2.7583641531        0.0128551463        2.2664954427
 Pt         3.0557919292       -0.2249676741        9.2478234434
 Pt         4.0236676640        0.9021322083       -0.0747834036
 Pt         4.3421718828        0.6745524669        6.9206144256
 Pt         2.8614927038        1.5410591109        4.5998970194
 Pt         5.5293420649        0.0327834998        2.2643163344
 Pt         5.8386680543       -0.1972885572        9.2255234504
 Pt         6.7977314887        0.9153990919       -0.0831230538
 Pt         7.1229372640        0.6957223023        6.8948035684
 Pt         5.6282153766        1.5540819419        4.5862999945
 Pt         8.2993913995        0.0283444797        2.2316497705
 Pt         8.6256271152       -0.1656396484        9.2187026914
 Pt         9.5743616544        0.9265193507       -0.1296245672
 Pt         9.8982338330        0.6950788459        6.8773289224
 Pt         8.3964686148        1.5548838455        4.5507375273
 Pt        11.0625047081        0.0152303880        2.2099046351
 Pt        11.4010175647       -0.1634272639        9.2245858052
 Pt        12.3470608288        0.9165235638       -0.1144218650
 Pt        12.6652180392        0.6832391483        6.8699753503
 Pt        11.1648645727        1.5431451347        4.5281121954
 Pt        13.8409803968        0.0221080447        2.2460191025
 Pt        14.1595221503       -0.1955159948        9.2101231049
 Pt        15.1268855500        0.9001542087       -0.0632627174
 Pt        15.4389790511        0.6635316423        6.8708072480
 Pt        13.9438897698        1.5419480047        4.5444486578
 Pt        -1.4102846248        2.4181361595        2.2612206432
 Pt        -1.1246792496        2.1860977780        9.1929794203
 Pt        -0.1488887352        3.2921672821       -0.0480524100
 Pt         0.1676420765        3.0616038356        6.8857661349
 Pt        -1.3170232234        3.9520756330        4.5618362566
 Pt         1.3707930901        2.4068105826        2.2824971153
 Pt         1.6492916018        2.1669280384        9.2504754188
 Pt         2.6102705110        3.2995201898       -0.0486653030
 Pt         2.9293905506        3.0609609144        6.9295156980
 Pt         1.4603643024        3.9502734981        4.5951180530
 Pt         4.1374448026        2.4175163108        2.2714477143
 Pt         4.4182466223        2.1840245040        9.2795523450
 Pt         5.3715495300        3.3169503824       -0.0409069854
 Pt         5.6965799045        3.0813011193        6.9289605116
 Pt         4.2297852601        3.9554304664        4.6215865379
 Pt         6.9093563405        2.4356081105        2.2474732504
 Pt         7.1955192095        2.2157385362        9.2266269153
 Pt         8.1651819810        3.3316819943       -0.0868968603
 Pt         8.4890472361        3.0926139697        6.8889655304
 Pt         7.0049294121        3.9497804119        4.6056344386
 Pt         9.6789840214        2.4212133293        2.2047915466
 Pt         9.9870829373        2.2373861858        9.2050167828
 Pt        10.9558302906        3.3281300148       -0.1266319739
 Pt        11.2725563118        3.0873595345        6.8585545568
 Pt         9.7793995966        3.9395121177        4.5463570838
 Pt        12.4510071278        2.4192508582        2.2163558096
 Pt        12.7623524733        2.2262308261        9.2007000433
 Pt        13.7336283204        3.3100938976       -0.0752476440
 Pt        14.0455418911        3.0807505594        6.8579726663
 Pt        12.5511140824        3.9392209358        4.5395072558
 Pt        -2.8044541385        4.8261810748        2.2523349552
 Pt        -2.5346125004        4.6140847487        9.1819724289
 Pt        -1.5443491537        5.6984516217       -0.0617105748
 Pt        -1.2310653238        5.4868218098        6.8736275340
 Pt        -2.7170439081        6.3587117004        4.5580246966
 Pt        -0.0197233239        4.8218350317        2.2703432067
 Pt         0.2400264040        4.5783192890        9.2145447388
 Pt         1.2081427009        5.7019143491       -0.0765555418
 Pt         1.5199427789        5.4682895815        6.8920070103
 Pt         0.0560547776        6.3659995472        4.5548358865
 Pt         2.7477720716        4.8165199150        2.2901552026
 Pt         2.9887070128        4.5739554425        9.2763044938
 Pt         3.9656818161        5.7104181138       -0.0269959805
 Pt         4.2704262393        5.4787843527        6.9774776804
 Pt         2.8309060948        6.3580530793        4.5907937376
 Pt         5.5131112450        4.8310587544        2.3210139256
 Pt         5.7727590142        4.5922372837        9.2959699458
 Pt         6.7490967325        5.7242602060        0.0099433346
 Pt         7.0472227096        5.4816040042        6.9515139774
 Pt         5.5984521126        6.3522565060        4.6600668658
 Pt         8.2915120859        4.8284478064        2.2690859487
 Pt         8.5441971766        4.6243983673        9.2291220826
 Pt         9.5442409984        5.7300549589       -0.0796440735
 Pt         9.8452282914        5.4826999996        6.8839873429
 Pt         8.3830478912        6.3415057888        4.6085050138
 Pt        11.0645267391        4.8176448186        2.2211825240
 Pt        11.3317811647        4.6356693490        9.1839196160
 Pt        12.3367938552        5.7192259635       -0.0853037673
 Pt        12.6392196382        5.4901684735        6.8614137311
 Pt        11.1579921815        6.3391679715        4.5516734782
 Pt        -4.2032249478        7.2262670745        2.2369679664
 Pt        -3.9350621961        7.0244749270        9.2158948631
 Pt        -2.9273732864        8.1116169889       -0.0795363957
 Pt        -2.6331753578        7.8920756905        6.8961739679
 Pt        -4.1101842118        8.7504586277        4.5688301623
 Pt        -1.4228349627        7.2345300225        2.2477830082
 Pt        -1.1547584231        7.0052667835        9.2079465948
 Pt        -0.1749742472        8.0992574912       -0.1059424879
 Pt         0.1297918029        7.8989178480        6.8623582237
 Pt        -1.3397925364        8.7736725005        4.5673495408
 Pt         1.3578436370        7.2240713918        2.2371111117
 Pt         1.6025833122        6.9990730667        9.1801712323
 Pt         2.5768131081        8.1081795991       -0.1046787590
 Pt         2.8833659949        7.8940494511        6.8848221715
 Pt         1.4367445126        8.7694780190        4.5302132309
 Pt         4.1280855178        7.2310151990        2.2880449524
 Pt         4.3746217616        7.0127419622        9.2796858420
 Pt         5.3504607903        8.1230612897       -0.0082459111
 Pt         5.6512170046        7.8789345665        6.9636530808
 Pt         4.2066312199        8.7556752427        4.5944288972
 Pt         6.9069801920        7.2380360099        2.3269315488
 Pt         7.1619904396        7.0183869644        9.2803914244
 Pt         8.1366729847        8.1215681825       -0.0434885678
 Pt         8.4413367527        7.8797046716        6.9084676551
 Pt         6.9838578963        8.7468280553        4.6178296226
 Pt         9.6765395123        7.2219565333        2.2452749053
 Pt         9.9243921397        7.0259287578        9.2194409471
 Pt        10.9404807750        8.1259975192       -0.0980962094
 Pt        11.2298624727        7.8745441291        6.8802056141
 Pt         9.7673447916        8.7405349278        4.5630366858
 Pt        -5.5895111522        9.6255459772        2.2329247780
 Pt        -5.3099031929        9.4160706124        9.2145127804
 Pt        -4.3048934516       10.5156187974       -0.0652473962
 Pt        -4.0105181027       10.2797192460        6.9027918655
 Pt        -5.4868262256       11.1472358506        4.5739427413
 Pt        -2.8188480468        9.6341240780        2.2578114909
 Pt        -2.5247524945        9.4144486677        9.2509060426
 Pt        -1.5340801139       10.5092723555       -0.0709456211
 Pt        -1.2444720497       10.3017251640        6.9056982128
 Pt        -2.7184763675       11.1659790332        4.5899702307
 Pt        -0.0399003983        9.6280699078        2.2341708858
 Pt         0.2450470667        9.4208535777        9.2068942276
 Pt         1.2153044859       10.5115723432       -0.0987297506
 Pt         1.5189928855       10.3074677678        6.8611033596
 Pt         0.0505281250       11.1786836567        4.5673444100
 Pt         2.7424162260        9.6220161728        2.2377869299
 Pt         3.0034084791        9.4475212140        9.1792785415
 Pt         3.9762260194       10.5219662677       -0.0558267393
 Pt         4.2946607813       10.3000961019        6.8906085242
 Pt         2.8239457952       11.1715065003        4.5548930370
 Pt         5.5254466163        9.6378283198        2.3029633650
 Pt         5.7898603395        9.4308283376        9.2366902736
 Pt         6.7656542735       10.5252958059       -0.0339009898
 Pt         7.0769851916       10.2839550275        6.9001319437
 Pt         5.6004239795       11.1611351677        4.5974729956
 Pt         8.3040691147        9.6343957339        2.2556182627
 Pt         8.5621619027        9.4082317571        9.2448995155
 Pt         9.5557879641       10.5231120424       -0.1141332113
 Pt         9.8559963160       10.2698456030        6.8865590630
 Pt         8.3891066979       11.1470364392        4.5757334025
 Pt        -6.9601259574       12.0251383950        2.2475594332
 Pt        -6.6696044625       11.7994788904        9.2198719713
 Pt        -5.6809028820       12.9165909436       -0.0669043885
 Pt        -5.3728572910       12.6762845032        6.9052467665
 Pt        -6.8570540676       13.5523145630        4.5840578967
 Pt        -4.1920993349       12.0362606265        2.2702782137
 Pt        -3.8824664933       11.8078767196        9.2324549420
 Pt        -2.9012436183       12.9209720348       -0.0411996367
 Pt        -2.5981983986       12.6981108538        6.9114988977
 Pt        -4.0842277968       13.5617299696        4.5939150030
 Pt        -1.4190054857       12.0385624615        2.2698987338
 Pt        -1.1024092708       11.8305610642        9.2375028499
 Pt        -0.1412167626       12.9239176364       -0.0634384382
 Pt         0.1690031175       12.7141169716        6.8956532315
 Pt        -1.3182643984       13.5792212501        4.5809600767
 Pt         1.3556638960       12.0262624690        2.2397827840
 Pt         1.6649026799       11.8500106629        9.2045483218
 Pt         2.6215402646       12.9288530777       -0.0981599866
 Pt         2.9410992360       12.7079493196        6.8861347430
 Pt         1.4499288700       13.5762004672        4.5548058559
 Pt         4.1295610125       12.0325733517        2.2595891224
 Pt         4.4373154865       11.8322540646        9.2346075615
 Pt         5.3989272860       12.9261905134       -0.0501086236
 Pt         5.7122210127       12.6921260987        6.8892144726
 Pt         4.2205156562       13.5651697644        4.5567328159
 Pt         6.9146705965       12.0392771556        2.2777324043
 Pt         7.2046955336       11.8033024985        9.2278382282
 Pt         8.1872719678       12.9179851001       -0.0726206749
 Pt         8.4943579171       12.6756420735        6.8929509018
 Pt         7.0093713573       13.5578663032        4.5724132484
  O         4.3116309826        7.1712722134       11.5783452484
  H         5.2273023093        7.5638695227       11.5540421568
  H         4.4514861696        6.1998426059       11.8673570184
     183
 i =       57, E =    -21650.0165701859
 Pt        -0.0094034391        0.0017395332        2.2316777779
 Pt         0.1362323155       -0.0915976947        9.2003516276
 Pt         1.3223610969        0.8372510674       -0.0951964653
 Pt         1.4699070137        0.7411336505        6.8711167951
 Pt         0.0396683523        1.5742979004        4.5495982572
 Pt         2.7676263041        0.0021249671        2.2296259421
 Pt         2.9102206474       -0.0920387626        9.1989454892
 Pt         4.0953027864        0.8380943553       -0.1061076639
 Pt         4.2452168504        0.7457166704        6.8711408091
 Pt         2.8145731569        1.5749509014        4.5525928419
 Pt         5.5402249898        0.0061558980        2.2278103181
 Pt         5.6877613612       -0.0859832380        9.1934586242
 Pt         6.8702049794        0.8415922681       -0.1018708775
 Pt         7.0210506204        0.7507604198        6.8652479164
 Pt         5.5840151434        1.5765381635        4.5469237528
 Pt         8.3145803663        0.0051050833        2.2235762657
 Pt         8.4655148767       -0.0769687897        9.1961445996
 Pt         9.6452622316        0.8451505304       -0.1111747835
 Pt         9.7946669503        0.7516028267        6.8620706947
 Pt         8.3570647076        1.5770480819        4.5420811435
 Pt        11.0854970744        0.0036039224        2.2217930011
 Pt        11.2402616628       -0.0751196340        9.1973014560
 Pt        12.4189831655        0.8422265045       -0.1072005264
 Pt        12.5682595312        0.7500967549        6.8635780108
 Pt        11.1315667488        1.5761953395        4.5407649914
 Pt        13.8607818875        0.0053411743        2.2311665517
 Pt        14.0108440694       -0.0824964953        9.1932721827
 Pt        15.1946931430        0.8391109580       -0.0937719707
 Pt        15.3436445134        0.7448221234        6.8609123778
 Pt        13.9070610532        1.5759641956        4.5444339173
 Pt        -1.3981011948        2.4054143792        2.2349915634
 Pt        -1.2567965935        2.3122581013        9.1895441612
 Pt        -0.0689858337        3.2397219014       -0.0876132104
 Pt         0.0800476360        3.1458301417        6.8690412387
 Pt        -1.3533222747        3.9799698685        4.5497341377
 Pt         1.3788798424        2.4027338917        2.2408487506
 Pt         1.5193227043        2.3063984018        9.2034671568
 Pt         2.7011386756        3.2407567084       -0.0816111309
 Pt         2.8530365910        3.1431381459        6.8764103104
 Pt         1.4219332768        3.9807728429        4.5635825248
 Pt         4.1527699625        2.4036795065        2.2327024853
 Pt         4.2938049472        2.3103068019        9.2110904428
 Pt         5.4743311484        3.2452817931       -0.0826339611
 Pt         5.6249373307        3.1474694184        6.8729147473
 Pt         4.1959889730        3.9853582882        4.5675091841
 Pt         6.9271204986        2.4090903620        2.2290264314
 Pt         7.0682100205        2.3175887512        9.1956309181
 Pt         8.2531251330        3.2491420752       -0.1011275805
 Pt         8.4032897786        3.1531263586        6.8659101396
 Pt         6.9713302100        3.9790852039        4.5604313101
 Pt         9.6994247413        2.4059670524        2.2191751224
 Pt         9.8479395429        2.3245002283        9.1913965170
 Pt        11.0314093364        3.2475474444       -0.1116083319
 Pt        11.1797686945        3.1530075257        6.8600525712
 Pt         9.7449848693        3.9770491132        4.5428127140
 Pt        12.4725037694        2.4061620095        2.2222061479
 Pt        12.6215107245        2.3228377128        9.1927034053
 Pt        13.8068498388        3.2438160344       -0.0977020766
 Pt        13.9538894976        3.1515211726        6.8605665818
 Pt        12.5184781831        3.9769175553        4.5437321629
 Pt        -2.7868267668        4.8092437390        2.2324645957
 Pt        -2.6490774788        4.7215588917        9.1865617044
 Pt        -1.4574630420        5.6434108329       -0.0913983965
 Pt        -1.3092425542        5.5546481953        6.8662735492
 Pt        -2.7420352671        6.3848553944        4.5459076421
 Pt        -0.0098647416        4.8080761805        2.2415704816
 Pt         0.1246860994        4.7109053227        9.2019715709
 Pt         1.3148224046        5.6444764315       -0.0816140452
 Pt         1.4614690452        5.5485711864        6.8842133717
 Pt         0.0325626851        6.3835417571        4.5547090070
 Pt         2.7644486083        4.8075238828        2.2570706998
 Pt         2.8901640556        4.7004193910        9.2212928347
 Pt         4.0826509972        5.6446330716       -0.0631301873
 Pt         4.2311112885        5.5506555807        6.9253001796
 Pt         2.8088452700        6.3846807519        4.5867342760
 Pt         5.5376710367        4.8108372768        2.2618912869
 Pt         5.6836728740        4.7026861334        9.2228804979
 Pt         6.8561091037        5.6492743619       -0.0657987368
 Pt         7.0044416023        5.5532988069        6.8908483357
 Pt         5.5776127795        6.3832189152        4.6000256847
 Pt         8.3135282492        4.8096454596        2.2371774732
 Pt         8.4497949637        4.7222609134        9.2005138805
 Pt         9.6376035278        5.6498227174       -0.0994104497
 Pt         9.7839289927        5.5541646906        6.8648943593
 Pt         8.3566190092        6.3793927333        4.5613865484
 Pt        11.0867251599        4.8075548626        2.2229654815
 Pt        11.2253138877        4.7266072891        9.1863718536
 Pt        12.4174327030        5.6478143963       -0.1006526732
 Pt        12.5627172506        5.5571833815        6.8581566716
 Pt        11.1309529149        6.3812759586        4.5423643890
 Pt        -4.1751536964        7.2116124372        2.2242885604
 Pt        -4.0383370802        7.1262662611        9.1954935362
 Pt        -2.8445757764        8.0492083577       -0.1007471275
 Pt        -2.7005898958        7.9585220044        6.8668070904
 Pt        -4.1290727807        8.7842864108        4.5438717813
 Pt        -1.4001357726        7.2133658353        2.2318639957
 Pt        -1.2651600329        7.1229098867        9.1918339124
 Pt        -0.0742040208        8.0441045343       -0.0952577754
 Pt         0.0730237113        7.9590608921        6.8649230528
 Pt        -1.3522646097        8.7882493980        4.5461919823
 Pt         1.3760396495        7.2113123683        2.2467286334
 Pt         1.4953810942        7.1186815097        9.2028124101
 Pt         2.6951739918        8.0463780252       -0.0784547965
 Pt         2.8481816214        7.9549104563        6.9159627197
 Pt         1.4260186722        8.7837672741        4.5549764004
 Pt         4.1499001881        7.2131696632        2.2696009253
 Pt         4.2842249419        7.1257831657        9.2809241071
 Pt         5.4691826635        8.0497685105       -0.0576808121
 Pt         5.6160755166        7.9534753145        6.9260062103
 Pt         4.1912831698        8.7823951902        4.5894446505
 Pt         6.9264394914        7.2143353905        2.2642841347
 Pt         7.0784412333        7.1233696337        9.2202529844
 Pt         8.2451004030        8.0483966546       -0.0823898136
 Pt         8.3955816393        7.9565860559        6.8695353526
 Pt         6.9610362631        8.7809180657        4.5698335392
 Pt         9.7003601111        7.2104262448        2.2286690938
 Pt         9.8348438883        7.1278280345        9.1941129992
 Pt        11.0281170909        8.0519069275       -0.1059669012
 Pt        11.1717230708        7.9548008921        6.8617812774
 Pt         9.7422219728        8.7841884814        4.5423882068
 Pt        -5.5628137313        9.6144169883        2.2199312122
 Pt        -5.4217478872        9.5275704616        9.1906683910
 Pt        -4.2300196645       10.4508863668       -0.0990628535
 Pt        -4.0848025809       10.3577986743        6.8651502897
 Pt        -5.5150623619       11.1849819179        4.5441371958
 Pt        -2.7878624795        9.6162526867        2.2264139866
 Pt        -2.6476044997        9.5268783229        9.1991780934
 Pt        -1.4570898556       10.4500972700       -0.1055860985
 Pt        -1.3121842832       10.3620663990        6.8677181423
 Pt        -2.7398234610       11.1877902347        4.5475713818
 Pt        -0.0145462934        9.6148728405        2.2268507417
 Pt         0.1244091251        9.5296479292        9.1934829824
 Pt         1.3132700384       10.4490978410       -0.0926161681
 Pt         1.4604111646       10.3627348893        6.8653129408
 Pt         0.0343843636       11.1888040565        4.5467126698
 Pt         2.7629986524        9.6130719726        2.2479533394
 Pt         2.8937568597        9.5484690968        9.2041413881
 Pt         4.0838567073       10.4488315923       -0.0757881841
 Pt         4.2367237869       10.3617665580        6.8859013729
 Pt         2.8071570084       11.1913880269        4.5556737128
 Pt         5.5398352721        9.6165248793        2.2618677255
 Pt         5.6847827467        9.5430364222        9.2160419236
 Pt         6.8610933370       10.4532240044       -0.0768069784
 Pt         7.0133385587       10.3592880253        6.8718361256
 Pt         5.5779564671       11.1891630864        4.5657404967
 Pt         8.3170647093        9.6163980006        2.2299820242
 Pt         8.4536428227        9.5260183736        9.2038274896
 Pt         9.6410293320       10.4532977522       -0.1155256661
 Pt         9.7874631892       10.3559394968        6.8632891218
 Pt         8.3572222609       11.1845475883        4.5481059041
 Pt        -6.9462773327       12.0150220327        2.2250858385
 Pt        -6.8037577701       11.9269435115        9.1922378312
 Pt        -5.6150685422       12.8544071932       -0.0977424157
 Pt        -5.4662122484       12.7584164072        6.8669862064
 Pt        -6.8985095577       13.5881260994        4.5490523671
 Pt        -4.1727949560       12.0181644693        2.2303033943
 Pt        -4.0266459167       11.9276419775        9.1935928385
 Pt        -2.8381649820       12.8554272882       -0.0929146423
 Pt        -2.6923523790       12.7629722382        6.8677140112
 Pt        -4.1242909593       13.5895161630        4.5490748737
 Pt        -1.3984673108       12.0173828363        2.2300832049
 Pt        -1.2517076240       11.9336704658        9.1963417671
 Pt        -0.0683575562       12.8552049639       -0.0956979546
 Pt         0.0800921498       12.7678428689        6.8670814897
 Pt        -1.3517836955       13.5927828768        4.5474734216
 Pt         1.3761030575       12.0162195610        2.2305062845
 Pt         1.5203541526       11.9399645801        9.1913437989
 Pt         2.7036764485       12.8557902854       -0.0994440975
 Pt         2.8549787411       12.7663508182        6.8696040704
 Pt         1.4197305635       13.5933866356        4.5450849200
 Pt         4.1501293159       12.0188743350        2.2398909987
 Pt         4.2978911701       11.9375721169        9.2079627697
 Pt         5.4790340375       12.8551653493       -0.0872010100
 Pt         5.6289529381       12.7635424425        6.8703538946
 Pt         4.1936629201       13.5926907651        4.5483964562
 Pt         6.9271346625       12.0196902290        2.2403320487
 Pt         7.0719518456       11.9287595839        9.1983978757
 Pt         8.2580456227       12.8546070966       -0.0967827224
 Pt         8.4059164389       12.7600386994        6.8671602659
 Pt         6.9729454314       13.5897866163        4.5497797868
  O         4.4175502670        7.0081863763       11.6079410709
  H         5.3262285396        7.3686869814       11.6889743520
  H         4.5353351232        6.0360001994       11.6842151751
     183
 i =       58, E =    -21650.0166166674
 Pt        -0.0092077879        0.0013012687        2.2280662427
 Pt         0.1221283617       -0.0779789249        9.1951142679
 Pt         1.3273937563        0.8318384937       -0.0984204737
 Pt         1.4602699621        0.7500569920        6.8655709175
 Pt         0.0346516495        1.5779635054        4.5456745858
 Pt         2.7679117387        0.0016061463        2.2254212387
 Pt         2.8964658721       -0.0787332376        9.1920355115
 Pt         4.1010024412        0.8324350321       -0.1087739904
 Pt         4.2356914307        0.7529583207        6.8651338958
 Pt         2.8094297687        1.5786781479        4.5477104135
 Pt         5.5405313510        0.0038369783        2.2238006562
 Pt         5.6731771766       -0.0760263686        9.1892486116
 Pt         6.8756797251        0.8349669543       -0.1027129163
 Pt         7.0107687821        0.7560555821        6.8618514612
 Pt         5.5793160513        1.5793264381        4.5439833019
 Pt         8.3156911563        0.0032741523        2.2227785912
 Pt         8.4491776954       -0.0701209837        9.1926604838
 Pt         9.6502372308        0.8375291251       -0.1078528676
 Pt         9.7841340303        0.7568488652        6.8592790096
 Pt         8.3540021376        1.5792856135        4.5419717928
 Pt        11.0883305509        0.0030763948        2.2223542045
 Pt        11.2240461015       -0.0681205773        9.1916750629
 Pt        12.4246065145        0.8354584319       -0.1087289875
 Pt        12.5584955373        0.7565481540        6.8605699445
 Pt        11.1296104373        1.5798154374        4.5408175509
 Pt        13.8627464485        0.0037587162        2.2271192462
 Pt        13.9965864290       -0.0720431577        9.1902208707
 Pt        15.1998554744        0.8335493311       -0.0998988656
 Pt        15.3338210346        0.7530048689        6.8582315518
 Pt        13.9043221596        1.5792454624        4.5414571506
 Pt        -1.3975095633        2.4041752489        2.2285877082
 Pt        -1.2686940690        2.3243805763        9.1876033229
 Pt        -0.0618486980        3.2349403557       -0.0939970766
 Pt         0.0713178295        3.1542066940        6.8656182616
 Pt        -1.3564767840        3.9824822820        4.5450709399
 Pt         1.3788467657        2.4028592530        2.2362867034
 Pt         1.5069130386        2.3209003643        9.1962940370
 Pt         2.7097532410        3.2357060292       -0.0835016108
 Pt         2.8458035823        3.1515699393        6.8706469650
 Pt         1.4177831578        3.9838512098        4.5601960489
 Pt         4.1536073019        2.4025211222        2.2305939037
 Pt         4.2820770212        2.3227844608        9.2033634207
 Pt         5.4849973617        3.2389502190       -0.0836737462
 Pt         5.6184200239        3.1542809608        6.8685554905
 Pt         4.1923794616        3.9892407630        4.5642923577
 Pt         6.9283320068        2.4062936481        2.2295778197
 Pt         7.0571457076        2.3262281845        9.1934006600
 Pt         8.2600562321        3.2415958438       -0.0999665604
 Pt         8.3952587452        3.1590446424        6.8647741640
 Pt         6.9684335432        3.9816367678        4.5582770649
 Pt         9.7018238081        2.4048561285        2.2225156598
 Pt         9.8346153437        2.3312913729        9.1894178705
 Pt        11.0366834543        3.2399203279       -0.1095588347
 Pt        11.1707914619        3.1589405242        6.8594804314
 Pt         9.7427173857        3.9811687815        4.5437880935
 Pt        12.4752037023        2.4049386922        2.2204762315
 Pt        12.6078673800        2.3312133283        9.1897026342
 Pt        13.8123162506        3.2378012819       -0.1039198948
 Pt        13.9447706397        3.1579265113        6.8587567231
 Pt        12.5161711469        3.9808777048        4.5421193226
 Pt        -2.7856826489        4.8071439845        2.2268944485
 Pt        -2.6586101201        4.7302691934        9.1862393749
 Pt        -1.4507346694        5.6383340759       -0.0970313265
 Pt        -1.3168138584        5.5602548724        6.8629040419
 Pt        -2.7442922195        6.3871416334        4.5416711124
 Pt        -0.0096455433        4.8066293661        2.2367868298
 Pt         0.1142467792        4.7240386859        9.1991395042
 Pt         1.3252130935        5.6391872641       -0.0819763596
 Pt         1.4565609381        5.5564876198        6.8829808539
 Pt         0.0302833959        6.3848534702        4.5530159692
 Pt         2.7652600745        4.8071137321        2.2553126123
 Pt         2.8818252780        4.7125935889        9.2149989905
 Pt         4.0950073571        5.6388011480       -0.0631693159
 Pt         4.2285463400        5.5584937658        6.9220921274
 Pt         2.8067995516        6.3874539529        4.5878025350
 Pt         5.5390036564        4.8089744199        2.2582467400
 Pt         5.6776649922        4.7116679441        9.2169458277
 Pt         6.8660646943        5.6432886279       -0.0711938622
 Pt         7.0010109409        5.5608414794        6.8871578912
 Pt         5.5761754692        6.3861354602        4.5963635382
 Pt         8.3149831948        4.8079784646        2.2370339763
 Pt         8.4433234367        4.7308407253        9.1989613125
 Pt         9.6452398185        5.6425158743       -0.1000736583
 Pt         9.7792500463        5.5610249872        6.8636836289
 Pt         8.3544835901        6.3827989819        4.5587070054
 Pt        11.0888364761        4.8067790386        2.2235585265
 Pt        11.2167624492        4.7335565241        9.1866915576
 Pt        12.4229684576        5.6413513611       -0.1036257235
 Pt        12.5556502412        5.5628824662        6.8563116907
 Pt        11.1286744474        6.3857894226        4.5409231936
 Pt        -4.1728962849        7.2100402661        2.2220886259
 Pt        -4.0467298549        7.1348682159        9.1911484618
 Pt        -2.8386516348        8.0436541147       -0.1035603367
 Pt        -2.7068904936        7.9645636881        6.8604169640
 Pt        -4.1310793726        8.7877688066        4.5397704690
 Pt        -1.3983985863        7.2109229157        2.2280981020
 Pt        -1.2738933930        7.1333078059        9.1869189551
 Pt        -0.0648282504        8.0394727644       -0.0950524080
 Pt         0.0689636907        7.9644432027        6.8622827855
 Pt        -1.3534754048        8.7896576993        4.5410101495
 Pt         1.3769288878        7.2101578891        2.2471836358
 Pt         1.4871467000        7.1299241143        9.2042321606
 Pt         2.7074256978        8.0406503986       -0.0745885723
 Pt         2.8459270097        7.9606838921        6.9192833314
 Pt         1.4252571484        8.7844939164        4.5554785268
 Pt         4.1505810989        7.2117341408        2.2696773853
 Pt         4.2803946920        7.1340672826        9.2841636797
 Pt         5.4813975564        8.0429904074       -0.0595640899
 Pt         5.6146492429        7.9617410356        6.9236638125
 Pt         4.1900737406        8.7845685049        4.5895771314
 Pt         6.9268995895        7.2119643191        2.2596259709
 Pt         7.0728803380        7.1330847160        9.2167274992
 Pt         8.2557120978        8.0415907255       -0.0837782233
 Pt         8.3922934337        7.9643589435        6.8664343368
 Pt         6.9587873334        8.7836463944        4.5655527640
 Pt         9.7018802794        7.2094953510        2.2287272988
 Pt         9.8284276201        7.1371483317        9.1915587153
 Pt        11.0349033857        8.0452031308       -0.1054307643
 Pt        11.1666524435        7.9627402467        6.8587753307
 Pt         9.7398292677        8.7887312725        4.5403683659
 Pt        -5.5607180677        9.6135859059        2.2189474442
 Pt        -5.4306881501        9.5376784684        9.1869833343
 Pt        -4.2246373511       10.4450346917       -0.1034876006
 Pt        -4.0920306853       10.3656696684        6.8591638388
 Pt        -5.5174880158       11.1888831434        4.5400771047
 Pt        -2.7852040882        9.6148101876        2.2214161933
 Pt        -2.6578110276        9.5374483118        9.1897382843
 Pt        -1.4513057651       10.4455522313       -0.1106310045
 Pt        -1.3180895915       10.3678354445        6.8601810757
 Pt        -2.7420606082       11.1903063638        4.5409485414
 Pt        -0.0125664860        9.6141438079        2.2245208301
 Pt         0.1150543422        9.5393136915        9.1887559370
 Pt         1.3226346528       10.4441613796       -0.0929825048
 Pt         1.4564482960       10.3677874373        6.8630332974
 Pt         0.0324645238       11.1898940388        4.5418976283
 Pt         2.7641094209        9.6127707528        2.2480861534
 Pt         2.8860025123        9.5561361927        9.2053668930
 Pt         4.0952303504       10.4416420529       -0.0774940174
 Pt         4.2321877620       10.3678274499        6.8844970054
 Pt         2.8055047240       11.1934161129        4.5539861928
 Pt         5.5397570890        9.6144352823        2.2587207223
 Pt         5.6759371792        9.5535854503        9.2143327276
 Pt         6.8698904909       10.4460358296       -0.0803421713
 Pt         7.0076800592       10.3668075932        6.8686184735
 Pt         5.5757845529       11.1915823065        4.5615980028
 Pt         8.3171669383        9.6147820112        2.2288809675
 Pt         8.4445218792        9.5373889693        9.1990628319
 Pt         9.6481705182       10.4469124994       -0.1139976657
 Pt         9.7809764547       10.3643408396        6.8602064381
 Pt         8.3543119210       11.1880242973        4.5450340531
 Pt        -6.9455226947       12.0143200605        2.2227724898
 Pt        -6.8156708645       11.9389546935        9.1883225690
 Pt        -5.6102180639       12.8488975364       -0.1013592817
 Pt        -5.4757110811       12.7667663769        6.8612203291
 Pt        -6.9027051763       13.5917588070        4.5444209850
 Pt        -4.1714485094       12.0168648440        2.2244846628
 Pt        -4.0401865931       11.9389134385        9.1875130635
 Pt        -2.8336956617       12.8500473647       -0.0995857402
 Pt        -2.7019553454       12.7694863436        6.8611422929
 Pt        -4.1282805323       13.5925763889        4.5431927985
 Pt        -1.3971798291       12.0161479333        2.2235220733
 Pt        -1.2657220332       11.9425823633        9.1887401822
 Pt        -0.0622162892       12.8497589958       -0.1003499696
 Pt         0.0715591591       12.7728401709        6.8618288290
 Pt        -1.3551680190       13.5942316975        4.5428252524
 Pt         1.3776196955       12.0163028207        2.2284939424
 Pt         1.5074094886       11.9468319421        9.1879882145
 Pt         2.7111773183       12.8495709590       -0.1002371679
 Pt         2.8470054824       12.7720410568        6.8656113683
 Pt         1.4172444730       13.5950558310        4.5425202888
 Pt         4.1517783581       12.0179354671        2.2365594546
 Pt         4.2848993662       11.9470862669        9.2032080037
 Pt         5.4864307263       12.8483931554       -0.0927383644
 Pt         5.6209231092       12.7706139037        6.8667104668
 Pt         4.1918465550       13.5954514790        4.5451270237
 Pt         6.9274882364       12.0178066285        2.2361975247
 Pt         7.0599179853       11.9405953480        9.1940770984
 Pt         8.2634702941       12.8485861202       -0.0991336994
 Pt         8.3969282471       12.7685792663        6.8631336522
 Pt         6.9695976535       13.5928110664        4.5460568534
  O         4.4358059418        6.9948280091       11.6105675486
  H         5.3434462059        7.3467758952       11.7151155388
  H         4.5482068843        6.0202561641       11.6982365790
     183
 i =       59, E =    -21650.0167699446
 Pt        -0.0101823878        0.0020034746        2.2305794526
 Pt         0.1314755913       -0.0864727100        9.1974750741
 Pt         1.3224845645        0.8357599102       -0.0955942778
 Pt         1.4661824079        0.7445984433        6.8680678279
 Pt         0.0373845710        1.5756553756        4.5486216323
 Pt         2.7670404558        0.0022833431        2.2278478832
 Pt         2.9057144759       -0.0870681026        9.1947158754
 Pt         4.0958543569        0.8367943399       -0.1070082992
 Pt         4.2416085909        0.7481694478        6.8679143406
 Pt         2.8118567221        1.5766881547        4.5503149411
 Pt         5.5395615909        0.0052010335        2.2257033462
 Pt         5.6826443712       -0.0833320578        9.1923095146
 Pt         6.8703921009        0.8399775911       -0.1021735970
 Pt         7.0166248399        0.7520999770        6.8634105965
 Pt         5.5817757785        1.5778964189        4.5458136988
 Pt         8.3144592377        0.0045822692        2.2235082384
 Pt         8.4587895172       -0.0764098044        9.1941988092
 Pt         9.6449122735        0.8428543562       -0.1081324641
 Pt         9.7899212068        0.7528896296        6.8597799192
 Pt         8.3564914271        1.5777640407        4.5419850871
 Pt        11.0867639935        0.0040277329        2.2225823706
 Pt        11.2333314605       -0.0744057526        9.1931742306
 Pt        12.4192387064        0.8402643927       -0.1077468496
 Pt        12.5642713781        0.7520491841        6.8620249949
 Pt        11.1323061432        1.5777459022        4.5409487795
 Pt        13.8613978989        0.0047689147        2.2292053278
 Pt        14.0057504549       -0.0793710533        9.1925214442
 Pt        15.1947314083        0.8375296134       -0.0970220311
 Pt        15.3396611402        0.7480075959        6.8608578549
 Pt        13.9070085075        1.5771747776        4.5435422116
 Pt        -1.3984644140        2.4050498642        2.2312834811
 Pt        -1.2602541191        2.3162537953        9.1900355219
 Pt        -0.0673120144        3.2387421656       -0.0914699177
 Pt         0.0768941434        3.1491831097        6.8679353723
 Pt        -1.3540316931        3.9805580843        4.5472093565
 Pt         1.3777836361        2.4034121691        2.2388948190
 Pt         1.5154102249        2.3124007860        9.1990882574
 Pt         2.7042598318        3.2398978633       -0.0815337364
 Pt         2.8511044207        3.1465914710        6.8732120260
 Pt         1.4200206090        3.9819699813        4.5620782929
 Pt         4.1523806877        2.4035539353        2.2326259843
 Pt         4.2904748476        2.3147268627        9.2067271937
 Pt         5.4789826573        3.2438939111       -0.0826286694
 Pt         5.6234123410        3.1501117604        6.8710093918
 Pt         4.1944042420        3.9872313932        4.5666481697
 Pt         6.9270895109        2.4078712132        2.2301290270
 Pt         7.0653450219        2.3193988952        9.1950598697
 Pt         8.2541399061        3.2470448664       -0.1003816366
 Pt         8.4001365743        3.1550475715        6.8651092672
 Pt         6.9704366880        3.9799162808        4.5595238981
 Pt         9.7003561215        2.4059611942        2.2216473086
 Pt         9.8431011639        2.3252214239        9.1894373692
 Pt        11.0307071056        3.2452005393       -0.1099013626
 Pt        11.1762593940        3.1547499001        6.8594628807
 Pt         9.7451096293        3.9788726534        4.5432749292
 Pt        12.4738283391        2.4058787414        2.2210619901
 Pt        12.6164575367        2.3242534459        9.1906330889
 Pt        13.8067224117        3.2422404258       -0.1021409177
 Pt        13.9505245935        3.1535373060        6.8602268987
 Pt        12.5189163332        3.9786843812        4.5426609103
 Pt        -2.7868464321        4.8083870465        2.2284181503
 Pt        -2.6511607455        4.7230317966        9.1877022731
 Pt        -1.4568422251        5.6424036293       -0.0950622277
 Pt        -1.3120185937        5.5560425912        6.8643968759
 Pt        -2.7423523792        6.3852627677        4.5434962749
 Pt        -0.0109441284        4.8075823070        2.2383299220
 Pt         0.1215492640        4.7160350284        9.2011266833
 Pt         1.3185573370        5.6432298809       -0.0818836480
 Pt         1.4606706271        5.5516414615        6.8839718993
 Pt         0.0322403896        6.3833026686        4.5537326735
 Pt         2.7635097182        4.8078780124        2.2564743944
 Pt         2.8885575628        4.7044507057        9.2175785854
 Pt         4.0881857174        5.6433522514       -0.0625564168
 Pt         4.2322779397        5.5539940147        6.9236194496
 Pt         2.8083683907        6.3854822606        4.5877885897
 Pt         5.5371538482        4.8100418986        2.2600480096
 Pt         5.6839138973        4.7047933005        9.2198248236
 Pt         6.8596316286        5.6481922431       -0.0697333546
 Pt         7.0048456223        5.5562384142        6.8891847204
 Pt         5.5777014355        6.3839167046        4.5977960774
 Pt         8.3133315292        4.8089927883        2.2370303300
 Pt         8.4500080943        4.7243346509        9.1998683548
 Pt         9.6387308123        5.6477207189       -0.1000833097
 Pt         9.7832902116        5.5564039958        6.8642028599
 Pt         8.3559771903        6.3802235937        4.5598875897
 Pt        11.0872221674        4.8076340049        2.2232522083
 Pt        11.2240787235        4.7271086666        9.1868448487
 Pt        12.4167521373        5.6462000736       -0.1025169993
 Pt        12.5605597317        5.5584782897        6.8573040611
 Pt        11.1304724885        6.3831548258        4.5414277915
 Pt        -4.1746541003        7.2111603822        2.2233000170
 Pt        -4.0393270483        7.1276433971        9.1924835357
 Pt        -2.8447185247        8.0481837366       -0.1014728969
 Pt        -2.7024644855        7.9603347112        6.8626708227
 Pt        -4.1298044087        8.7856993781        4.5418353961
 Pt        -1.4000073661        7.2123686051        2.2298040635
 Pt        -1.2668136940        7.1257984956        9.1882758422
 Pt        -0.0715585987        8.0438578638       -0.0949523342
 Pt         0.0726065005        7.9604962971        6.8631808586
 Pt        -1.3522768588        8.7881068147        4.5430789675
 Pt         1.3749877139        7.2111704014        2.2464292967
 Pt         1.4934031360        7.1223221933        9.2039482643
 Pt         2.7002414830        8.0450946093       -0.0764050787
 Pt         2.8489585474        7.9569899196        6.9170918906
 Pt         1.4262052047        8.7832632102        4.5547934378
 Pt         4.1483494093        7.2128203553        2.2698171516
 Pt         4.2850351324        7.1263604842        9.2813843422
 Pt         5.4743999202        8.0475714502       -0.0587144864
 Pt         5.6178752780        7.9568402510        6.9242690490
 Pt         4.1914416352        8.7828700937        4.5891228526
 Pt         6.9249285516        7.2129873026        2.2612455075
 Pt         7.0786085749        7.1260469452        9.2185844430
 Pt         8.2491224279        8.0464082152       -0.0827048340
 Pt         8.3956905113        7.9591851105        6.8681280317
 Pt         6.9603836653        8.7813022490        4.5671828199
 Pt         9.6999602657        7.2101763847        2.2292183834
 Pt         9.8351518864        7.1301900549        9.1929048708
 Pt        11.0287979947        8.0501598881       -0.1051036703
 Pt        11.1707607058        7.9576354011        6.8601648750
 Pt         9.7410624779        8.7860126835        4.5415248123
 Pt        -5.5623946542        9.6144495477        2.2200114810
 Pt        -5.4226466093        9.5301916135        9.1891062242
 Pt        -4.2299941058       10.4497477740       -0.1017827220
 Pt        -4.0872809555       10.3608275032        6.8620361148
 Pt        -5.5160636571       11.1866094701        4.5420515135
 Pt        -2.7871024543        9.6162023370        2.2240416958
 Pt        -2.6495704698        9.5299566772        9.1928869292
 Pt        -1.4567761906       10.4501040163       -0.1082874271
 Pt        -1.3137925543       10.3639372280        6.8629059135
 Pt        -2.7406834372       11.1886798727        4.5441574730
 Pt        -0.0144729726        9.6154134944        2.2253811083
 Pt         0.1228217257        9.5323213218        9.1902569627
 Pt         1.3163969891       10.4488359154       -0.0934203489
 Pt         1.4602548785       10.3642024223        6.8637793886
 Pt         0.0339506851       11.1885330119        4.5437742129
 Pt         2.7619216428        9.6137840970        2.2473113795
 Pt         2.8929335270        9.5493778457        9.2045916796
 Pt         4.0887078857       10.4463180350       -0.0773383186
 Pt         4.2364589300       10.3636982670        6.8847245829
 Pt         2.8071100616       11.1917163157        4.5543520913
 Pt         5.5379222668        9.6156238020        2.2596763157
 Pt         5.6828947977        9.5462589017        9.2151082332
 Pt         6.8638395789       10.4503670114       -0.0783957522
 Pt         7.0120649098       10.3620651916        6.8699638121
 Pt         5.5775200419       11.1897894861        4.5630775106
 Pt         8.3155416783        9.6157777571        2.2302422834
 Pt         8.4519366884        9.5298034391        9.2009758138
 Pt         9.6424265012       10.4515353380       -0.1132975540
 Pt         9.7855800446       10.3591044829        6.8619375450
 Pt         8.3559839983       11.1858656042        4.5467571656
 Pt        -6.9466478126       12.0151692410        2.2244937608
 Pt        -6.8067282659       11.9309427114        9.1903080737
 Pt        -5.6151004331       12.8530703145       -0.0999674573
 Pt        -5.4699884513       12.7614274431        6.8638396460
 Pt        -6.9003184063       13.5894039654        4.5466826729
 Pt        -4.1727998052       12.0179190909        2.2267672189
 Pt        -4.0308208547       11.9312832145        9.1908152809
 Pt        -2.8385737767       12.8545596263       -0.0974908080
 Pt        -2.6962485164       12.7651122489        6.8643290698
 Pt        -4.1262038336       13.5908353871        4.5458429207
 Pt        -1.3987751122       12.0174606471        2.2262069694
 Pt        -1.2563095479       11.9357451501        9.1922384222
 Pt        -0.0674109854       12.8545648589       -0.0990120460
 Pt         0.0769357786       12.7689546740        6.8639520771
 Pt        -1.3530954106       13.5929513954        4.5449594002
 Pt         1.3758189622       12.0171165856        2.2291318593
 Pt         1.5162885966       11.9406056562        9.1897744933
 Pt         2.7057645046       12.8545693748       -0.0995702022
 Pt         2.8520549117       12.7679072011        6.8668365186
 Pt         1.4193438079       13.5934527487        4.5433697536
 Pt         4.1500563198       12.0189276707        2.2377954889
 Pt         4.2933371188       11.9402684311        9.2051893710
 Pt         5.4810245256       12.8527810860       -0.0907699378
 Pt         5.6261283356       12.7661172265        6.8689418049
 Pt         4.1940768089       13.5934661398        4.5464850802
 Pt         6.9261779179       12.0189216879        2.2383936837
 Pt         7.0684892219       11.9328615462        9.1964170072
 Pt         8.2582512659       12.8525770361       -0.0967926843
 Pt         8.4024995658       12.7632836996        6.8654554523
 Pt         6.9718056847       13.5906749256        4.5486683938
  O         4.4305424161        7.0089333170       11.6091476571
  H         5.3397187187        7.3612531513       11.7082624943
  H         4.5401647421        6.0361858872       11.7031574271
     183
 i =       60, E =    -21650.0169364281
 Pt        -0.0124069317        0.0033609110        2.2330999972
 Pt         0.1431348199       -0.0960218328        9.1993942228
 Pt         1.3145367725        0.8412341989       -0.0921915724
 Pt         1.4723646452        0.7390978006        6.8695667150
 Pt         0.0399758681        1.5734487909        4.5521147658
 Pt         2.7651658941        0.0034729747        2.2297728698
 Pt         2.9174726026       -0.0966117338        9.1959335401
 Pt         4.0881122774        0.8429577331       -0.1054944820
 Pt         4.2480505234        0.7428990535        6.8694180656
 Pt         2.8138626558        1.5750918024        4.5521510909
 Pt         5.5377378439        0.0064005371        2.2267507810
 Pt         5.6940933944       -0.0925851957        9.1956823295
 Pt         6.8622012496        0.8464916715       -0.1022787806
 Pt         7.0226952988        0.7468418894        6.8644173645
 Pt         5.5840948725        1.5761616156        4.5473163598
 Pt         8.3125041800        0.0059441174        2.2241012736
 Pt         8.4693571590       -0.0854077032        9.1951062926
 Pt         9.6362729661        0.8492632451       -0.1074154849
 Pt         9.7957072050        0.7475568764        6.8588560038
 Pt         8.3595540924        1.5756751200        4.5414425801
 Pt        11.0849674115        0.0055792220        2.2230984230
 Pt        11.2433146099       -0.0835182661        9.1926449675
 Pt        12.4108395899        0.8461820026       -0.1066033211
 Pt        12.5705996310        0.7466219252        6.8630631774
 Pt        11.1365270572        1.5756835661        4.5408390322
 Pt        13.8594952041        0.0059446048        2.2310031360
 Pt        14.0166939953       -0.0886725786        9.1949109920
 Pt        15.1863896754        0.8427046474       -0.0948274515
 Pt        15.3461486573        0.7428808720        6.8647833145
 Pt        13.9109824118        1.5750902449        4.5459454552
 Pt        -1.4003628860        2.4063947149        2.2328930959
 Pt        -1.2493373464        2.3067199549        9.1942265317
 Pt        -0.0751093084        3.2443243668       -0.0904707681
 Pt         0.0835224182        3.1440031839        6.8711641664
 Pt        -1.3508154861        3.9783426310        4.5489835161
 Pt         1.3752840510        2.4048993194        2.2411708142
 Pt         1.5265012141        2.3031824324        9.2006601263
 Pt         2.6974417769        3.2459638158       -0.0788301141
 Pt         2.8576719587        3.1414798127        6.8747097415
 Pt         1.4222425123        3.9801118162        4.5638198393
 Pt         4.1503427073        2.4050194509        2.2349229415
 Pt         4.3017460470        2.3053690302        9.2085336536
 Pt         5.4727059332        3.2505321477       -0.0818555082
 Pt         5.6302287530        3.1455649342        6.8729232726
 Pt         4.1964988987        3.9852687237        4.5688664617
 Pt         6.9252266858        2.4092444258        2.2308011097
 Pt         7.0762989671        2.3104124353        9.1966530586
 Pt         8.2459035114        3.2537019024       -0.1020380844
 Pt         8.4057573433        3.1500315938        6.8643699481
 Pt         6.9728257715        3.9777753678        4.5598462162
 Pt         9.6985153227        2.4074699184        2.2210876326
 Pt         9.8532510947        2.3164665236        9.1875294297
 Pt        11.0211828774        3.2514572220       -0.1100454710
 Pt        11.1824395665        3.1495460419        6.8586560599
 Pt         9.7484845987        3.9765886852        4.5419341407
 Pt        12.4724096189        2.4073418745        2.2211596263
 Pt        12.6266992310        2.3144454753        9.1906650165
 Pt        13.7975614917        3.2478238208       -0.1026267982
 Pt        13.9573447293        3.1483782446        6.8625094520
 Pt        12.5231584051        3.9767666131        4.5427654537
 Pt        -2.7886285032        4.8099035521        2.2279356185
 Pt        -2.6408179531        4.7129478915        9.1910053974
 Pt        -1.4658678451        5.6481829824       -0.0951548137
 Pt        -1.3060115126        5.5506793413        6.8659895479
 Pt        -2.7394250676        6.3828824875        4.5447383524
 Pt        -0.0136449840        4.8089196071        2.2383008284
 Pt         0.1310597130        4.7071223492        9.2041574068
 Pt         1.3108551491        5.6490591265       -0.0818813698
 Pt         1.4666359023        5.5465444227        6.8855269228
 Pt         0.0354500377        6.3806972634        4.5543034642
 Pt         2.7603643975        4.8094271597        2.2574160137
 Pt         2.8981345101        4.6947626686        9.2189849332
 Pt         4.0811918697        5.6492964245       -0.0621687244
 Pt         4.2390102261        5.5493276523        6.9248359107
 Pt         2.8108388124        6.3830407167        4.5884062877
 Pt         5.5342618299        4.8111491472        2.2607217764
 Pt         5.6942861148        4.6954520364        9.2221410599
 Pt         6.8521497883        5.6540240910       -0.0713557983
 Pt         7.0114020435        5.5512382342        6.8905448917
 Pt         5.5802720327        6.3811954205        4.5983174081
 Pt         8.3107255407        4.8099955990        2.2356860838
 Pt         8.4606425477        4.7158435824        9.2001272564
 Pt         9.6297567704        5.6543097489       -0.1016730967
 Pt         9.7894498237        5.5508732148        6.8639035199
 Pt         8.3580518211        6.3771009141        4.5598319653
 Pt        11.0850760912        4.8091024380        2.2223922117
 Pt        11.2348224842        4.7175431194        9.1869963486
 Pt        12.4069419064        5.6524061486       -0.1028650917
 Pt        12.5670316809        5.5527916605        6.8583426566
 Pt        11.1330820600        6.3806179721        4.5413681082
 Pt        -4.1769006703        7.2125730046        2.2241299950
 Pt        -4.0283576989        7.1175253664        9.1928713719
 Pt        -2.8537355160        8.0546297979       -0.0996122290
 Pt        -2.6964586213        7.9551240164        6.8637246072
 Pt        -4.1279955797        8.7836703164        4.5434623112
 Pt        -1.4022856205        7.2139669694        2.2307654777
 Pt        -1.2568693785        7.1161727199        9.1897183448
 Pt        -0.0800573094        8.0504571720       -0.0946011600
 Pt         0.0780918595        7.9554867838        6.8642074191
 Pt        -1.3500496465        8.7855790825        4.5443935959
 Pt         1.3716159919        7.2127697576        2.2455717370
 Pt         1.5017258373        7.1130921228        9.2046685724
 Pt         2.6925155016        8.0510338612       -0.0775477302
 Pt         2.8541630715        7.9527203415        6.9153267723
 Pt         1.4282361428        8.7808995932        4.5546265181
 Pt         4.1443673486        7.2142452063        2.2698949134
 Pt         4.2920402545        7.1155258463        9.2788756530
 Pt         5.4670544672        8.0528438301       -0.0591584436
 Pt         5.6243506392        7.9517185078        6.9246497371
 Pt         4.1941766374        8.7805286872        4.5887500404
 Pt         6.9211336528        7.2135514117        2.2611290109
 Pt         7.0875794169        7.1171326639        9.2202088864
 Pt         8.2413919149        8.0522220420       -0.0819658190
 Pt         8.4015316723        7.9531404100        6.8695892675
 Pt         6.9626935632        8.7785550994        4.5681052029
 Pt         9.6969403150        7.2110668057        2.2296385623
 Pt         9.8458764503        7.1209809815        9.1937941473
 Pt        11.0202007008        8.0565558136       -0.1044300056
 Pt        11.1770069215        7.9517977801        6.8612982375
 Pt         9.7426793866        8.7832973995        4.5426057962
 Pt        -5.5646698534        9.6156546795        2.2213993181
 Pt        -5.4107167716        9.5202953964        9.1912518429
 Pt        -4.2382785752       10.4563279722       -0.1013045999
 Pt        -4.0812712127       10.3555753348        6.8641777615
 Pt        -5.5143705755       11.1844490580        4.5434595684
 Pt        -2.7894139123        9.6180727487        2.2259027752
 Pt        -2.6381335357        9.5204495418        9.1936487790
 Pt        -1.4648976296       10.4570681841       -0.1069061497
 Pt        -1.3079771068       10.3591948835        6.8642495417
 Pt        -2.7388578821       11.1867658212        4.5464165016
 Pt        -0.0171684471        9.6175541153        2.2260005543
 Pt         0.1337144332        9.5233951917        9.1918362224
 Pt         1.3086494056       10.4555633592       -0.0943594837
 Pt         1.4660563092       10.3595698780        6.8648248461
 Pt         0.0363676769       11.1860296151        4.5449846287
 Pt         2.7582555543        9.6156813021        2.2463052808
 Pt         2.9029341977        9.5399105263        9.2049094272
 Pt         4.0813362741       10.4517977864       -0.0784562524
 Pt         4.2429912347       10.3586781890        6.8851467335
 Pt         2.8100020333       11.1890627984        4.5545380153
 Pt         5.5340973484        9.6166764407        2.2595300701
 Pt         5.6925791191        9.5372825136        9.2162480744
 Pt         6.8559307637       10.4552863129       -0.0769377648
 Pt         7.0182464066       10.3566492190        6.8711687914
 Pt         5.5802248164       11.1875867239        4.5638223328
 Pt         8.3121043635        9.6166511706        2.2321230433
 Pt         8.4624321759        9.5206498191        9.2020417969
 Pt         9.6343558790       10.4573322447       -0.1110388409
 Pt         9.7917603941       10.3532830528        6.8636797556
 Pt         8.3579184718       11.1838101043        4.5482948585
 Pt        -6.9487896989       12.0165456813        2.2262415161
 Pt        -6.7948156681       11.9213187796        9.1920137614
 Pt        -5.6231457163       12.8588026922       -0.0997875542
 Pt        -5.4636117055       12.7555954968        6.8656048418
 Pt        -6.8979630169       13.5871281710        4.5481869765
 Pt        -4.1748823405       12.0192707087        2.2274635325
 Pt        -4.0188699339       11.9218903046        9.1936034654
 Pt        -2.8466849520       12.8610491011       -0.0977465372
 Pt        -2.6898312113       12.7599600807        6.8668404548
 Pt        -4.1241881663       13.5890376184        4.5473389672
 Pt        -1.4012512067       12.0192659191        2.2274197086
 Pt        -1.2447303438       11.9266728416        9.1951307731
 Pt        -0.0752888020       12.8614009909       -0.0997130997
 Pt         0.0832020578       12.7636456780        6.8653075319
 Pt        -1.3507690911       13.5908110544        4.5463430305
 Pt         1.3730546009       12.0187723934        2.2292069781
 Pt         1.5274096907       11.9316222259        9.1924554197
 Pt         2.6983304107       12.8613200510       -0.0992582530
 Pt         2.8580820400       12.7624582736        6.8672361437
 Pt         1.4222383948       13.5909065837        4.5435893680
 Pt         4.1473635049       12.0203054567        2.2381777091
 Pt         4.3035586492       11.9315031556        9.2065854431
 Pt         5.4733546713       12.8579918361       -0.0904079984
 Pt         5.6324663583       12.7609043857        6.8714126202
 Pt         4.1974888893       13.5911308996        4.5474914452
 Pt         6.9234060543       12.0200675753        2.2400125963
 Pt         7.0794863202       11.9237160088        9.1986060465
 Pt         8.2498970982       12.8573937745       -0.0937667022
 Pt         8.4088250587       12.7576143307        6.8678979769
 Pt         6.9743992802       13.5883961308        4.5516536649
  O         4.4247155551        7.0264034526       11.6102229006
  H         5.3363150042        7.3787046183       11.7038329764
  H         4.5306001614        6.0568490856       11.7195234774
     183
 i =       61, E =    -21650.0172895914
 Pt        -0.0173312115        0.0063235104        2.2358804661
 Pt         0.1632652697       -0.1118222682        9.2001674195
 Pt         1.2991430392        0.8512835959       -0.0887999428
 Pt         1.4832983144        0.7304348421        6.8714770519
 Pt         0.0434741642        1.5695270952        4.5564449364
 Pt         2.7606824556        0.0063196405        2.2317246416
 Pt         2.9378091908       -0.1124376489        9.1953966783
 Pt         4.0733733220        0.8540741836       -0.1023007468
 Pt         4.2594183631        0.7338435556        6.8719392811
 Pt         2.8165188858        1.5718680958        4.5551132135
 Pt         5.5336495812        0.0084036564        2.2285128397
 Pt         5.7138696305       -0.1091846083        9.1995504006
 Pt         6.8465456097        0.8565076961       -0.1011157370
 Pt         7.0324574897        0.7374957841        6.8656770307
 Pt         5.5872099214        1.5729688924        4.5510936874
 Pt         8.3086002321        0.0080131791        2.2247979800
 Pt         8.4873007633       -0.1030437164        9.1946598098
 Pt         9.6205695723        0.8595081048       -0.1060698642
 Pt         9.8051670084        0.7378937507        6.8560434072
 Pt         8.3643958890        1.5717242160        4.5417342175
 Pt        11.0816827766        0.0084501822        2.2232429101
 Pt        11.2603134083       -0.1012579983        9.1890578883
 Pt        12.3954059444        0.8559401082       -0.1064704509
 Pt        12.5807491836        0.7374247857        6.8625509338
 Pt        11.1432576544        1.5727314470        4.5398585951
 Pt        13.8556777957        0.0080798784        2.2318697215
 Pt        14.0355159124       -0.1054619427        9.1972181722
 Pt        15.1704743629        0.8522970813       -0.0948437160
 Pt        15.3562322084        0.7348404642        6.8691993713
 Pt        13.9172452877        1.5722226473        4.5477945699
 Pt        -1.4045543651        2.4092052958        2.2325704077
 Pt        -1.2298780101        2.2901967497        9.1991299446
 Pt        -0.0896863867        3.2543679008       -0.0920200362
 Pt         0.0947939194        3.1357278433        6.8760461219
 Pt        -1.3457128631        3.9749256049        4.5499077551
 Pt         1.3699820616        2.4080697010        2.2436136751
 Pt         1.5466175495        2.2872208735        9.2015176851
 Pt         2.6846722704        3.2568499557       -0.0737388953
 Pt         2.8699688950        3.1330469401        6.8780746523
 Pt         1.4259071851        3.9761106934        4.5667208508
 Pt         4.1461807699        2.4077130570        2.2399055884
 Pt         4.3223445527        2.2889291501        9.2105597348
 Pt         5.4610399057        3.2623745681       -0.0779469078
 Pt         5.6422321557        3.1374952544        6.8775878645
 Pt         4.2002203236        3.9821719166        4.5741122505
 Pt         6.9216440118        2.4110137120        2.2340196934
 Pt         7.0962698468        2.2940510470        9.1991123788
 Pt         8.2311993554        3.2634551266       -0.1027125848
 Pt         8.4157603813        3.1410355479        6.8639320155
 Pt         6.9769449195        3.9738791155        4.5621788010
 Pt         9.6951442408        2.4101547357        2.2217698338
 Pt         9.8711406646        2.2991609817        9.1835166793
 Pt        11.0047368187        3.2615789889       -0.1102625604
 Pt        11.1929009111        3.1403047037        6.8568430692
 Pt         9.7541425576        3.9732532648        4.5410708226
 Pt        12.4695938066        2.4103005914        2.2204259952
 Pt        12.6448980026        2.2961059290        9.1889710994
 Pt        13.7809587330        3.2574232664       -0.1062751578
 Pt        13.9682821350        3.1396293499        6.8645547495
 Pt        12.5298859058        3.9741351847        4.5420269216
 Pt        -2.7923621793        4.8124223357        2.2245749494
 Pt        -2.6212017296        4.6947598318        9.1931602240
 Pt        -1.4813945300        5.6592485329       -0.0991826263
 Pt        -1.2954438627        5.5413121121        6.8668634886
 Pt        -2.7344553501        6.3791636601        4.5441168568
 Pt        -0.0190601241        4.8114729270        2.2363119384
 Pt         0.1489901521        4.6921247435        9.2082226632
 Pt         1.2976335281        5.6592891599       -0.0816205661
 Pt         1.4792036044        5.5380316501        6.8886158720
 Pt         0.0403098310        6.3757552751        4.5548454535
 Pt         2.7547669265        4.8124206703        2.2603186856
 Pt         2.9175545815        4.6765214899        9.2212308826
 Pt         4.0699686850        5.6602030837       -0.0589761703
 Pt         4.2524324885        5.5421342466        6.9288008718
 Pt         2.8155518280        6.3785727524        4.5909262521
 Pt         5.5293264115        4.8130206104        2.2638887617
 Pt         5.7145086769        4.6797789214        9.2265195380
 Pt         6.8386973429        5.6653416691       -0.0734602702
 Pt         7.0250237951        5.5427698111        6.8934573697
 Pt         5.5844242085        6.3773998633        4.6006452495
 Pt         8.3059009242        4.8116718423        2.2355486820
 Pt         8.4814782631        4.6999958859        9.2009672422
 Pt         9.6145673667        5.6641449014       -0.1025856813
 Pt         9.8014078118        5.5415417787        6.8639837633
 Pt         8.3619215483        6.3731302582        4.5606574200
 Pt        11.0812133654        4.8119053808        2.2215016004
 Pt        11.2551671508        4.6992432135        9.1855987324
 Pt        12.3905083266        5.6623033623       -0.1050032738
 Pt        12.5786421077        5.5427837494        6.8586785679
 Pt        11.1376599753        6.3773463585        4.5414951354
 Pt        -4.1807979443        7.2147730436        2.2243754668
 Pt        -4.0074282653        7.0990679487        9.1913389014
 Pt        -2.8691291798        8.0658322855       -0.0992571166
 Pt        -2.6852817081        7.9457286488        6.8624371573
 Pt        -4.1242682356        8.7806155957        4.5442725238
 Pt        -1.4066555839        7.2163105538        2.2292703969
 Pt        -1.2375937459        7.0990512423        9.1885174728
 Pt        -0.0937290978        8.0624232721       -0.0951138750
 Pt         0.0887281769        7.9465575956        6.8645514059
 Pt        -1.3459288832        8.7811316660        4.5437666358
 Pt         1.3656350397        7.2157405159        2.2453747255
 Pt         1.5192261646        7.0972269013        9.2061811811
 Pt         2.6798077471        8.0621705337       -0.0768709382
 Pt         2.8666811587        7.9451554399        6.9139708874
 Pt         1.4322272553        8.7765784412        4.5551760637
 Pt         4.1375802800        7.2166885599        2.2717555423
 Pt         4.3084015567        7.0970849611        9.2769419839
 Pt         5.4551298459        8.0617845998       -0.0584228017
 Pt         5.6381879226        7.9437600752        6.9273116092
 Pt         4.1992231068        8.7766704387        4.5895377498
 Pt         6.9144896522        7.2141573869        2.2624289655
 Pt         7.1072383717        7.1003435908        9.2237943961
 Pt         8.2276338350        8.0628690606       -0.0788101118
 Pt         8.4136320677        7.9436291960        6.8728610187
 Pt         6.9668431773        8.7744733406        4.5705517701
 Pt         9.6915471795        7.2126866647        2.2319457986
 Pt         9.8669308126        7.1042182976        9.1953084772
 Pt        11.0056339128        8.0668472910       -0.1017097652
 Pt        11.1888108651        7.9422442446        6.8627401189
 Pt         9.7459390374        8.7797952757        4.5456407563
 Pt        -5.5691306949        9.6178827152        2.2247871067
 Pt        -5.3887308256        9.5027525645        9.1920157912
 Pt        -4.2533862287       10.4680786753       -0.1012699075
 Pt        -4.0707955311       10.3469278256        6.8650824091
 Pt        -5.5109522712       11.1814529250        4.5452510969
 Pt        -2.7936854328        9.6209439717        2.2263467083
 Pt        -2.6169154283        9.5032872576        9.1908057606
 Pt        -1.4795104326       10.4690781531       -0.1067814604
 Pt        -1.2972051269       10.3505182810        6.8632145588
 Pt        -2.7354306346       11.1834451363        4.5471314612
 Pt        -0.0220009133        9.6211938388        2.2256326757
 Pt         0.1536807938        9.5072813808        9.1918018101
 Pt         1.2957158491       10.4678313345       -0.0960872062
 Pt         1.4773000519       10.3507492190        6.8655148332
 Pt         0.0406807657       11.1816399785        4.5448507088
 Pt         2.7520638856        9.6192349571        2.2459390282
 Pt         2.9223784662        9.5231113981        9.2062494245
 Pt         4.0691073213       10.4613355636       -0.0801511068
 Pt         4.2570978805       10.3498204942        6.8863697581
 Pt         2.8153849071       11.1840459836        4.5544392740
 Pt         5.5271900381        9.6181104820        2.2602589220
 Pt         5.7108635519        9.5221118238        9.2193632837
 Pt         6.8411922095       10.4645010913       -0.0745038554
 Pt         7.0303521113       10.3478494114        6.8739172154
 Pt         5.5849799985       11.1836116746        4.5649312732
 Pt         8.3054215677        9.6179407036        2.2367151258
 Pt         8.4821347828        9.5051722875        9.2038682696
 Pt         9.6196583992       10.4672035307       -0.1051262166
 Pt         9.8028676215       10.3440391173        6.8664088004
 Pt         8.3616654690       11.1800964362        4.5515937277
 Pt        -6.9536953394       12.0193721017        2.2290640898
 Pt        -6.7737734859       11.9050466306        9.1931482445
 Pt        -5.6391539019       12.8693914711       -0.1001418852
 Pt        -5.4531007922       12.7465500161        6.8668653499
 Pt        -6.8944077866       13.5833012027        4.5496584707
 Pt        -4.1793210146       12.0219957747        2.2271828083
 Pt        -3.9980628527       11.9053688239        9.1948732310
 Pt        -2.8629702115       12.8720593727       -0.1002595874
 Pt        -2.6793742833       12.7511463138        6.8685379184
 Pt        -4.1211033384       13.5858320438        4.5485955881
 Pt        -1.4059351000       12.0224618828        2.2267876375
 Pt        -1.2247667210       11.9095927184        9.1964598673
 Pt        -0.0904304538       12.8723594552       -0.1026874898
 Pt         0.0936100621       12.7539824813        6.8651240190
 Pt        -1.3470182909       13.5866839954        4.5471946329
 Pt         1.3682501692       12.0221502216        2.2282972053
 Pt         1.5464743755       11.9144990206        9.1937978186
 Pt         2.6843725445       12.8719019542       -0.1003260496
 Pt         2.8684910697       12.7525041370        6.8660097612
 Pt         1.4271470987       13.5865641577        4.5426716982
 Pt         4.1424671366       12.0228467836        2.2377225497
 Pt         4.3213124627       11.9159086828        9.2077704348
 Pt         5.4588763857       12.8669074419       -0.0921983672
 Pt         5.6438073790       12.7520996221        6.8743841983
 Pt         4.2029212111       13.5877209095        4.5480069680
 Pt         6.9178146041       12.0220823475        2.2421790115
 Pt         7.0993312456       11.9080745656        9.2010860992
 Pt         8.2338385256       12.8661795299       -0.0904091406
 Pt         8.4197598375       12.7487768981        6.8710594224
 Pt         6.9785925257       13.5841903263        4.5555906180
  O         4.4147353998        7.0530022006       11.6113713448
  H         5.3291366732        7.4043758962       11.7011974540
  H         4.5148782514        6.0883149998       11.7613755553
     183
 i =       62, E =    -21649.9444102206
 Pt        -0.0213852304        0.0007489291        2.2545821943
 Pt         0.1603395616       -0.1561681462        9.2976639910
 Pt         1.2932206825        0.9041065197       -0.0832043098
 Pt         1.5053498981        0.6998941909        6.8939702949
 Pt         0.0509137617        1.5767619422        4.5302171150
 Pt         2.7473228458        0.0163543652        2.2417280859
 Pt         2.9462394158       -0.1637315226        9.2935855943
 Pt         4.0606394307        0.8551344968       -0.0792969058
 Pt         4.2818649211        0.7224231856        6.8750201466
 Pt         2.8378584968        1.5526389567        4.5858529049
 Pt         5.5221166937        0.0341374599        2.2208044954
 Pt         5.7303890714       -0.1406652329        9.1940081413
 Pt         6.8502479808        0.8819290219       -0.0748749773
 Pt         7.1050738663        0.7301146973        6.8925482716
 Pt         5.6137043930        1.5571501931        4.5454110023
 Pt         8.2953344064        0.0173033086        2.1995115890
 Pt         8.5252741478       -0.0901202457        9.2243266967
 Pt         9.6263020990        0.8663446675       -0.1234426538
 Pt         9.8615210097        0.7210205799        6.8904237243
 Pt         8.3581324637        1.5857516678        4.5373261602
 Pt        11.0627754996       -0.0021266674        2.2201506009
 Pt        11.3102611198       -0.0665260237        9.2729867092
 Pt        12.4002712360        0.8739248230       -0.0989746110
 Pt        12.6322985366        0.7014845120        6.9079419457
 Pt        11.1051987378        1.5582733393        4.5413190761
 Pt        13.8459357431        0.0161161007        2.2428769907
 Pt        14.0483946463       -0.1073016818        9.2300774522
 Pt        15.1771327942        0.8849599764       -0.0351991881
 Pt        15.4120813721        0.6922647206        6.8646611722
 Pt        13.8893334270        1.5339288013        4.5386387277
 Pt        -1.4118496663        2.4079797658        2.2610954819
 Pt        -1.2247373927        2.2628923090        9.2068339913
 Pt        -0.1190573009        3.2948354772       -0.0332147897
 Pt         0.1065331342        3.1038614635        6.8352259887
 Pt        -1.3459509988        3.9473537211        4.5571924748
 Pt         1.3732072049        2.3995003079        2.2655303730
 Pt         1.5384682971        2.2644827352        9.2933204529
 Pt         2.6263144112        3.2857421556       -0.1005523900
 Pt         2.8577633975        3.1095740695        6.8797502617
 Pt         1.4299914766        3.9676748561        4.5829996265
 Pt         4.1365561797        2.4134142701        2.2091487037
 Pt         4.3248359508        2.2676548629        9.2712990296
 Pt         5.3566038319        3.2079096793       -0.0757704216
 Pt         5.6518470298        3.1151145407        6.8729426126
 Pt         4.2285181517        3.9542618972        4.5631004516
 Pt         6.9049748792        2.4218321950        2.1855463614
 Pt         7.1035488856        2.2708689279        9.2082751173
 Pt         8.2029572111        3.2954795624       -0.0531128277
 Pt         8.4834956882        3.1220184320        6.9039516582
 Pt         6.9786297376        3.9860487121        4.5608384491
 Pt         9.6780635689        2.4083378048        2.1950059182
 Pt         9.9072036090        2.3125491699        9.2698866646
 Pt        11.0273111013        3.2680071689       -0.1125617574
 Pt        11.2318401754        3.1115752800        6.8648210497
 Pt         9.7305591239        3.9734168684        4.5473908858
 Pt        12.4483162438        2.4071481843        2.2302876574
 Pt        12.6738148187        2.3188534002        9.2681113913
 Pt        13.8246585065        3.2867354822       -0.0256332826
 Pt        14.0147309450        3.1037622887        6.8659389512
 Pt        12.4911630099        3.9538689352        4.5343433866
 Pt        -2.7995872240        4.8159826808        2.2789541654
 Pt        -2.6185625165        4.7033939941        9.2190585700
 Pt        -1.4801840813        5.6614417041       -0.0270280148
 Pt        -1.2181143686        5.5143865021        6.8859801256
 Pt        -2.7516592434        6.3774720545        4.5367384421
 Pt        -0.0006507661        4.8170852395        2.2947723664
 Pt         0.2168249304        4.6018644037        9.2011447020
 Pt         1.2287855957        5.7130553977       -0.0864010091
 Pt         1.4523158041        5.5098030096        6.8638436390
 Pt         0.0162550610        6.4018060792        4.5472364199
 Pt         2.7716071711        4.8076412318        2.2665213459
 Pt         2.8995001913        4.7317997320        9.2701266989
 Pt         3.9628436143        5.6527334144       -0.0955538665
 Pt         4.2405881962        5.5002787418        6.9019669523
 Pt         2.7738352539        6.3835483700        4.5504268671
 Pt         5.5420970647        4.8287190796        2.2540666692
 Pt         5.7117710515        4.6725009265        9.2399962984
 Pt         6.8509207548        5.6200304341       -0.0000724699
 Pt         6.9836663186        5.5231927867        6.8930932693
 Pt         5.5876624563        6.3747785039        4.6142698972
 Pt         8.3058526195        4.8269241694        2.2411731738
 Pt         8.4696483514        4.6524082339        9.2118767366
 Pt         9.6039958334        5.6995124012       -0.0698138269
 Pt         9.8133992728        5.5189209603        6.8826088527
 Pt         8.3599369450        6.3624080595        4.5780955473
 Pt        11.0729809811        4.8116582885        2.2288168251
 Pt        11.2302468333        4.7373783945        9.2330756071
 Pt        12.4111656547        5.6905913188       -0.0596617176
 Pt        12.5799444224        5.5391134990        6.8345350763
 Pt        11.1299367424        6.3723334200        4.5332104219
 Pt        -4.1972964148        7.2238813163        2.2183399440
 Pt        -4.0256703212        7.1213624142        9.2507479465
 Pt        -2.8625498310        8.0658150764       -0.0803437812
 Pt        -2.6773142833        7.9347615722        6.8937722923
 Pt        -4.1291167366        8.7616514636        4.5457864606
 Pt        -1.4057468438        7.2272344457        2.2421627232
 Pt        -1.2285954957        7.1059455017        9.2712259416
 Pt        -0.1335149594        8.0651012235       -0.0913105882
 Pt         0.1421819070        7.9249469341        6.8548487547
 Pt        -1.3531234246        8.7926097842        4.5573784747
 Pt         1.3900719695        7.2138569665        2.2450516565
 Pt         1.6031219998        7.0399195059        9.1575024737
 Pt         2.6284107999        8.0659759243       -0.1099505090
 Pt         2.7938462635        7.9182848222        6.9226608921
 Pt         1.4239060987        8.7716767552        4.5290311635
 Pt         4.1631377492        7.2261119567        2.2527684674
 Pt         4.4005140315        7.0866198356        9.3922462689
 Pt         5.3624315541        8.1168351756       -0.0727112587
 Pt         5.6084001467        7.8849505565        6.8902362933
 Pt         4.1670520826        8.7774613180        4.5654985384
 Pt         6.9508862538        7.2438374965        2.2734914204
 Pt         7.0905236903        7.1149606816        9.2413748317
 Pt         8.2245864962        8.0551075739       -0.0872327672
 Pt         8.4403927331        7.9268100034        6.8924855088
 Pt         6.9774432057        8.7445520512        4.5718378458
 Pt         9.7026860308        7.2288082228        2.1927557498
 Pt         9.8530121198        7.0877135333        9.2004009183
 Pt        10.9872523155        8.0913281714       -0.0856377477
 Pt        11.1845139543        7.9192503933        6.8513536709
 Pt         9.7654782237        8.7525481950        4.5332032692
 Pt        -5.5876459517        9.6236612594        2.1897063603
 Pt        -5.4349261963        9.5196254975        9.2414254768
 Pt        -4.2600690204       10.4436749949       -0.0435553091
 Pt        -4.0242737638       10.3094717550        6.8909026816
 Pt        -5.4980804365       11.1497844990        4.5575014501
 Pt        -2.8109091850        9.6217305836        2.2318552724
 Pt        -2.6366985718        9.5110704590        9.2973061789
 Pt        -1.4889990395       10.4500359240       -0.0938937681
 Pt        -1.2670920483       10.3261736003        6.9079797035
 Pt        -2.7308207566       11.1754866971        4.5469842018
 Pt        -0.0232228806        9.6062150935        2.2282119068
 Pt         0.1580241143        9.4869674905        9.2080954439
 Pt         1.2316887615       10.4403157928       -0.0748333944
 Pt         1.5168697582       10.3135168816        6.8510906191
 Pt         0.0329038144       11.1902772460        4.5545751788
 Pt         2.7821452790        9.6025034012        2.2287726547
 Pt         2.9362394219        9.5348867997        9.1449858798
 Pt         3.9729341929       10.5282757131       -0.0644022331
 Pt         4.1586677653       10.3335457178        6.8942881200
 Pt         2.7628611481       11.2048962695        4.5661355921
 Pt         5.5660673372        9.6381630480        2.2764746947
 Pt         5.7910774745        9.4821771326        9.2088634379
 Pt         6.8542565118       10.4964997572       -0.0805962622
 Pt         7.0493161709       10.3159912203        6.8975811198
 Pt         5.5831840505       11.1685186710        4.5853205595
 Pt         8.3428168763        9.6378594898        2.1980754919
 Pt         8.5034915401        9.4347601223        9.2575431533
 Pt         9.6065860224       10.4853458977       -0.1315942627
 Pt         9.8375392221       10.3064920062        6.8831694101
 Pt         8.3698512956       11.1702761514        4.5481407339
 Pt        -6.9619837361       12.0141411722        2.2238271141
 Pt        -6.7849726530       11.8826113085        9.2462912917
 Pt        -5.6312777469       12.8828195308       -0.0187688731
 Pt        -5.4024927899       12.7192322696        6.8957601232
 Pt        -6.8987397581       13.5811853994        4.5890083395
 Pt        -4.1950900776       12.0351088061        2.2603819395
 Pt        -3.9977551634       11.8834231007        9.2316452813
 Pt        -2.8505222474       12.8759953447       -0.0261922002
 Pt        -2.6276814580       12.7318520100        6.8842882061
 Pt        -4.1006487346       13.5704567461        4.5706333131
 Pt        -1.4116765331       12.0262302008        2.2370272724
 Pt        -1.2244465824       11.9040961333        9.2166364499
 Pt        -0.1042597509       12.8784169892       -0.0222999641
 Pt         0.1392962968       12.7380952909        6.8885540572
 Pt        -1.3488746634       13.5955495945        4.5422511479
 Pt         1.3703836759       12.0144143771        2.2409498783
 Pt         1.5697528449       11.9237252722        9.1707268827
 Pt         2.6462780031       12.8840559884       -0.0770236724
 Pt         2.9287707628       12.7297935879        6.9064122240
 Pt         1.4241585783       13.5972360280        4.5522912325
 Pt         4.1485981249       12.0230054636        2.2506409603
 Pt         4.3851945639       11.8533186578        9.2312590959
 Pt         5.4278644606       12.9288317922       -0.0244970659
 Pt         5.6546312827       12.7232049045        6.8650884988
 Pt         4.1883854750       13.5593950127        4.5568266657
 Pt         6.9331629402       12.0363687332        2.2568068150
 Pt         7.0977754332       11.8583994556        9.2505031535
 Pt         8.2405917272       12.9262640120       -0.0831236821
 Pt         8.4480287836       12.7243758511        6.8675232451
 Pt         6.9712132539       13.5983709084        4.5292814567
  O         4.3265749348        7.3030022006       11.5461760876
  H         5.1765846240        7.4942653048       11.7576131004
  H         4.3783046119        6.3044119042       11.6937026975
     183
 i =       63, E =    -21649.9819903631
 Pt        -0.0486416411        0.0189583414        2.2617740962
 Pt         0.2670717672       -0.2283047916        9.2772631218
 Pt         1.2095757429        0.9471181583       -0.0686989134
 Pt         1.5567902920        0.6632018299        6.8944244289
 Pt         0.0664238291        1.5560137137        4.5556877241
 Pt         2.7247163051        0.0301934959        2.2462111843
 Pt         3.0517351102       -0.2346084658        9.2652520999
 Pt         3.9831785310        0.9145750365       -0.0674794736
 Pt         4.3358742373        0.6780816269        6.8843576013
 Pt         2.8453173003        1.5406592749        4.5927812956
 Pt         5.5015396412        0.0383651176        2.2291490050
 Pt         5.8299349655       -0.2214016700        9.2153513392
 Pt         6.7639455548        0.9285575610       -0.0745160579
 Pt         7.1391766970        0.6819359171        6.8918533729
 Pt         5.6231075947        1.5426218092        4.5662791556
 Pt         8.2765589805        0.0254234286        2.2068657872
 Pt         8.6087763112       -0.1874656518        9.2125125452
 Pt         9.5395267057        0.9179139016       -0.1120409924
 Pt         9.8968304462        0.6732831899        6.8629947870
 Pt         8.3842892053        1.5616908245        4.5378590092
 Pt        11.0495025803        0.0158480987        2.2204101131
 Pt        11.3859049129       -0.1685793160        9.2305063869
 Pt        12.3152208486        0.9211127309       -0.1018070175
 Pt        12.6733505192        0.6613732932        6.8918318447
 Pt        11.1497031209        1.5470854852        4.5326978135
 Pt        13.8276562773        0.0261540302        2.2419436654
 Pt        14.1434221588       -0.1949298547        9.2337556370
 Pt        15.0880872258        0.9289031109       -0.0528141512
 Pt        15.4516036744        0.6614832896        6.8872588062
 Pt        13.9287330164        1.5283957099        4.5473448421
 Pt        -1.4333270985        2.4239730223        2.2484779351
 Pt        -1.1230009989        2.1825260351        9.2320985804
 Pt        -0.1921703170        3.3410966715       -0.0590730453
 Pt         0.1630089122        3.0696261168        6.8684231687
 Pt        -1.3185998122        3.9357545661        4.5577903422
 Pt         1.3426636135        2.4196291872        2.2710960033
 Pt         1.6471755268        2.1878443824        9.2750207344
 Pt         2.5712025183        3.3384314584       -0.0672317580
 Pt         2.9257064076        3.0724400472        6.8943189898
 Pt         1.4475650807        3.9497040771        4.5937842804
 Pt         4.1155866332        2.4266153574        2.2418150359
 Pt         4.4350335013        2.1868305886        9.2654689208
 Pt         5.3173351915        3.2814661880       -0.0549616733
 Pt         5.7140920760        3.0787918619        6.8970734913
 Pt         4.2417935261        3.9437316487        4.5926183259
 Pt         6.8886323662        2.4274726463        2.2131693358
 Pt         7.2082274452        2.1893473501        9.2186970124
 Pt         8.1303314513        3.3390824194       -0.0669558540
 Pt         8.5210052423        3.0791081672        6.8904844838
 Pt         6.9987941335        3.9641777141        4.5715522435
 Pt         9.6634182167        2.4231252901        2.2039129011
 Pt         9.9928337441        2.2171511682        9.2259296217
 Pt        10.9334504184        3.3190568118       -0.1136096286
 Pt        11.2775086044        3.0694163995        6.8494071763
 Pt         9.7652759924        3.9571676140        4.5395822508
 Pt        12.4381858898        2.4244230480        2.2216738589
 Pt        12.7627206025        2.2154325633        9.2394530785
 Pt        13.7249525943        3.3310513806       -0.0674423522
 Pt        14.0620070442        3.0665272303        6.8744973590
 Pt        12.5359591704        3.9463793971        4.5286154237
 Pt        -2.8178263782        4.8287171395        2.2445296500
 Pt        -2.5140663839        4.6046231811        9.2247846931
 Pt        -1.5640893631        5.7206929000       -0.0692925802
 Pt        -1.1778326973        5.4708983035        6.8846531710
 Pt        -2.7209431794        6.3586712822        4.5307733285
 Pt        -0.0344415286        4.8298128636        2.2680291017
 Pt         0.2988979015        4.5432785454        9.2247799927
 Pt         1.1740279949        5.7577699034       -0.0841902386
 Pt         1.5256542841        5.4727056105        6.8861202735
 Pt         0.0476998576        6.3699849485        4.5509650615
 Pt         2.7373060596        4.8254170907        2.2805784261
 Pt         3.0075348248        4.6257247850        9.2688507663
 Pt         3.9274435076        5.7116705916       -0.0711056981
 Pt         4.3179366864        5.4728243929        6.9256099804
 Pt         2.8077141743        6.3591897531        4.5731379400
 Pt         5.5125575574        4.8345650678        2.2717280909
 Pt         5.8224607803        4.5937199599        9.2571971757
 Pt         6.7796270949        5.6878024406       -0.0314200335
 Pt         7.0675220575        5.4840579498        6.9057753600
 Pt         5.6092187079        6.3563136479        4.6212068087
 Pt         8.2791045554        4.8321600749        2.2374082032
 Pt         8.5856236310        4.5783143468        9.2115218439
 Pt         9.5249768071        5.7423536554       -0.0819060416
 Pt         9.8758270350        5.4755597605        6.8771552337
 Pt         8.3800175370        6.3456244459        4.5768792372
 Pt        11.0539900153        4.8272182467        2.2214577563
 Pt        11.3450969182        4.6312992179        9.2132671763
 Pt        12.3175822141        5.7362121103       -0.0834553550
 Pt        12.6413901146        5.4873905721        6.8384046695
 Pt        11.1564915178        6.3579294415        4.5339234617
 Pt        -4.2140084083        7.2336157030        2.2185375954
 Pt        -3.9083319561        7.0175211085        9.2262781793
 Pt        -2.9467952695        8.1256791836       -0.0852661944
 Pt        -2.6192266077        7.8880192524        6.8750658750
 Pt        -4.1076101011        8.7505977007        4.5467862355
 Pt        -1.4288280638        7.2368470180        2.2276611059
 Pt        -1.1275480187        7.0148601185        9.2445283060
 Pt        -0.1973622848        8.1295620879       -0.0948382561
 Pt         0.1891829890        7.8825237996        6.8577613981
 Pt        -1.3286575812        8.7657032886        4.5474034231
 Pt         1.3522752774        7.2304096935        2.2451711711
 Pt         1.6798018680        6.9689088132        9.1774201926
 Pt         2.5736098921        8.1245187510       -0.0960359485
 Pt         2.8784952964        7.8853908201        6.9150453098
 Pt         1.4482658113        8.7490018974        4.5394447242
 Pt         4.1201360034        7.2371031665        2.2673780086
 Pt         4.4695351283        6.9887568316        9.3593557303
 Pt         5.3203801639        8.1514625031       -0.0675320818
 Pt         5.6916481369        7.8561431822        6.9108639609
 Pt         4.2016894441        8.7580336623        4.5752422685
 Pt         6.9062636057        7.2395302875        2.2761636605
 Pt         7.2005541861        7.0236286142        9.2556437037
 Pt         8.1537522269        8.1121938057       -0.0678912372
 Pt         8.5018497030        7.8816592705        6.9051153113
 Pt         6.9975205968        8.7303836313        4.5831274248
 Pt         9.6708708199        7.2339699198        2.2134556138
 Pt         9.9708145526        7.0021380725        9.2061612516
 Pt        10.9129567938        8.1402004452       -0.0726839741
 Pt        11.2492956613        7.8751315917        6.8591632208
 Pt         9.7790940745        8.7414340308        4.5521602987
 Pt        -5.6078186166        9.6348321124        2.2145227647
 Pt        -5.3069094887        9.4235446556        9.2322173938
 Pt        -4.3408245851       10.5111849011       -0.0583527404
 Pt        -3.9786595947       10.2735328229        6.8862234397
 Pt        -5.4829957537       11.1421529135        4.5613764731
 Pt        -2.8295023277        9.6368499558        2.2287109055
 Pt        -2.5188741053        9.4186864792        9.2534078734
 Pt        -1.5655327075       10.5187927775       -0.1000666717
 Pt        -1.2157017350       10.2859388159        6.8885839918
 Pt        -2.7135686546       11.1593918823        4.5455766037
 Pt        -0.0487332138        9.6290715193        2.2242058965
 Pt         0.2635638584        9.4066356952        9.2030309358
 Pt         1.1767152911       10.5116339558       -0.0881396379
 Pt         1.5701831327       10.2744948492        6.8582057370
 Pt         0.0583089574       11.1637041505        4.5492650332
 Pt         2.7420153057        9.6257775959        2.2317719146
 Pt         3.0377002969        9.4431165751        9.1675749622
 Pt         3.9286719291       10.5641462085       -0.0773773084
 Pt         4.2555807587       10.2905851236        6.8997092577
 Pt         2.8034858985       11.1733943966        4.5636388188
 Pt         5.5192525856        9.6409910917        2.2762734791
 Pt         5.8727309495        9.4110166313        9.2282742124
 Pt         6.7737112543       10.5377055659       -0.0670690332
 Pt         7.1110873959       10.2777776147        6.9066077527
 Pt         5.6095573568       11.1517845436        4.5852004496
 Pt         8.2975284202        9.6405086916        2.2314474301
 Pt         8.6049548041        9.3681103516        9.2543411533
 Pt         9.5303830389       10.5334405358       -0.0913456975
 Pt         9.8895509409       10.2675896786        6.8927256081
 Pt         8.3874589439       11.1545199195        4.5648454024
 Pt        -6.9879806012       12.0312537956        2.2381738767
 Pt        -6.6703744673       11.8029743770        9.2377257687
 Pt        -5.7212551367       12.9362375126       -0.0410435605
 Pt        -5.3590268136       12.6792706923        6.8919366451
 Pt        -6.8810370198       13.5629577299        4.5846375554
 Pt        -4.2162324793       12.0470590325        2.2468376068
 Pt        -3.8881534163       11.8016020685        9.2269406033
 Pt        -2.9429719510       12.9338719874       -0.0610489937
 Pt        -2.5846209479       12.6900009809        6.8866115330
 Pt        -4.0899437229       13.5566861035        4.5685896499
 Pt        -1.4359333780       12.0421849894        2.2264821109
 Pt        -1.1204904930       11.8145865217        9.2163751597
 Pt        -0.1841892189       12.9346965007       -0.0586946093
 Pt         0.1838247310       12.6896440760        6.8792788751
 Pt        -1.3294939845       13.5704180520        4.5443329989
 Pt         1.3439547337       12.0347124778        2.2318429164
 Pt         1.6640260207       11.8303938680        9.1812925042
 Pt         2.5790468245       12.9364653206       -0.0881666952
 Pt         2.9709942010       12.6813134020        6.8880235638
 Pt         1.4512793081       13.5712239660        4.5423491517
 Pt         4.1208513881       12.0368312965        2.2435357880
 Pt         4.4647693594       11.7838030414        9.2303236856
 Pt         5.3555267451       12.9624266411       -0.0525817513
 Pt         5.7116596438       12.6844254384        6.8809182150
 Pt         4.2209886082       13.5479436413        4.5549883635
 Pt         6.8984741113       12.0440629506        2.2631469040
 Pt         7.2030701690       11.7878142587        9.2516133774
 Pt         8.1508547621       12.9595598331       -0.0682323466
 Pt         8.4986718305       12.6852950664        6.8818904135
 Pt         6.9940879412       13.5744218180        4.5525526438
  O         4.2953436390        7.3950079357       11.5749209138
  H         5.1741373050        7.6092423498       11.7281035407
  H         4.3296610047        6.4319926319       11.9437026975
     183
 i =       64, E =    -21650.0048879420
 Pt        -0.0203047750        0.0049212503        2.2439570425
 Pt         0.1639745727       -0.1329632830        9.2431069483
 Pt         1.2944298558        0.8763903059       -0.0868388688
 Pt         1.4942297149        0.7164702197        6.8834620751
 Pt         0.0466712128        1.5725863926        4.5471637517
 Pt         2.7534843105        0.0109429360        2.2370773899
 Pt         2.9435509487       -0.1364320652        9.2385552079
 Pt         4.0652988609        0.8561796315       -0.0931155948
 Pt         4.2704741951        0.7275106124        6.8747273410
 Pt         2.8262989472        1.5622791492        4.5683823713
 Pt         5.5276175960        0.0188103606        2.2254096428
 Pt         5.7230441729       -0.1243895777        9.1981538936
 Pt         6.8468171497        0.8680097815       -0.0910008684
 Pt         7.0647381924        0.7322566113        6.8766364829
 Pt         5.5990943086        1.5645780257        4.5471960681
 Pt         8.3021286790        0.0115539153        2.2138010050
 Pt         8.5058414377       -0.0987005370        9.2073196004
 Pt         9.6215507474        0.8628496047       -0.1148189007
 Pt         9.8312382855        0.7288895913        6.8715929259
 Pt         8.3613454521        1.5765739173        4.5387310496
 Pt        11.0721347187        0.0039045352        2.2224002032
 Pt        11.2845182157       -0.0881805275        9.2268582742
 Pt        12.3958101840        0.8644519155       -0.1014489611
 Pt        12.6039972322        0.7212367649        6.8841003093
 Pt        11.1254787979        1.5659640308        4.5415165368
 Pt        13.8496683819        0.0122236992        2.2388610530
 Pt        14.0429533244       -0.1084840358        9.2128593186
 Pt        15.1719370928        0.8683713014       -0.0671289320
 Pt        15.3814383830        0.7155335107        6.8691035385
 Pt        13.9039264624        1.5561723564        4.5465438892
 Pt        -1.4087782167        2.4098110842        2.2483187118
 Pt        -1.2252213768        2.2762549577        9.2043734844
 Pt        -0.1045741237        3.2740735618       -0.0654084146
 Pt         0.1013664281        3.1208267454        6.8610511922
 Pt        -1.3464030411        3.9635779635        4.5566114822
 Pt         1.3705626731        2.4051303061        2.2536133911
 Pt         1.5459343309        2.2753976528        9.2424158711
 Pt         2.6562096289        3.2708567926       -0.0866277997
 Pt         2.8664985150        3.1215912047        6.8805247994
 Pt         1.4287304800        3.9716816227        4.5747599200
 Pt         4.1412172789        2.4100814715        2.2259273376
 Pt         4.3254481191        2.2788819075        9.2367712268
 Pt         5.4135689023        3.2392981614       -0.0799857790
 Pt         5.6476579722        3.1258143244        6.8735842545
 Pt         4.2125059708        3.9694222254        4.5670011447
 Pt         6.9136944726        2.4158008914        2.2114830245
 Pt         7.1010541118        2.2831859703        9.2021324401
 Pt         8.2180994191        3.2771356287       -0.0846764591
 Pt         8.4460606355        3.1309929532        6.8788138639
 Pt         6.9776343727        3.9777620812        4.5581501791
 Pt         9.6864765315        2.4091357450        2.2088155717
 Pt         9.8892046233        2.3031785880        9.2198163354
 Pt        11.0140211568        3.2648831886       -0.1114956286
 Pt        11.2111739960        3.1270556331        6.8613139297
 Pt         9.7429460331        3.9728640454        4.5417566045
 Pt        12.4586921045        2.4093742072        2.2266685009
 Pt        12.6599660429        2.3044954177        9.2245591059
 Pt        13.7991807962        3.2717498596       -0.0679094420
 Pt        13.9892382565        3.1237332038        6.8678216757
 Pt        12.5122925730        3.9650577234        4.5402879721
 Pt        -2.7958064876        4.8151459569        2.2508021658
 Pt        -2.6173022206        4.6970484105        9.2055806650
 Pt        -1.4819674349        5.6619336709       -0.0673365846
 Pt        -1.2605625172        5.5296218402        6.8785916696
 Pt        -2.7412474027        6.3782422954        4.5433630368
 Pt        -0.0115489317        4.8145912319        2.2635996751
 Pt         0.1807339524        4.6512525604        9.2078046993
 Pt         1.2657625000        5.6838044515       -0.0834399880
 Pt         1.4693618749        5.5241065414        6.8789173831
 Pt         0.0302068281        6.3863030331        4.5537138344
 Pt         2.7619956843        4.8107873594        2.2613552101
 Pt         2.9123780671        4.6991622030        9.2427419001
 Pt         4.0219573222        5.6580578747       -0.0780148537
 Pt         4.2485071736        5.5230269547        6.9165896087
 Pt         2.7990586481        6.3799328845        4.5727941919
 Pt         5.5343123346        4.8201662091        2.2554548756
 Pt         5.7146963901        4.6761701094        9.2301789154
 Pt         6.8407745463        5.6464686642       -0.0441447260
 Pt         7.0089119222        5.5324407816        6.8898364418
 Pt         5.5863211979        6.3757580596        4.6021270897
 Pt         8.3053770591        4.8186836111        2.2345904368
 Pt         8.4773467145        4.6782029655        9.2036217794
 Pt         9.6100001806        5.6797136538       -0.0905119389
 Pt         9.8077663039        5.5305810432        6.8701794363
 Pt         8.3617540430        6.3687666141        4.5651380220
 Pt        11.0771971540        4.8121046820        2.2240050282
 Pt        11.2469684627        4.7136463110        9.2055084304
 Pt        12.3997258963        5.6758180784       -0.0843480059
 Pt        12.5815459393        5.5406460813        6.8498948209
 Pt        11.1347141423        6.3746430030        4.5379005972
 Pt        -4.1877856229        7.2194304301        2.2221415933
 Pt        -4.0130835284        7.1073645615        9.2182166913
 Pt        -2.8666053747        8.0671560805       -0.0924545515
 Pt        -2.6791760452        7.9397808094        6.8785547816
 Pt        -4.1250441308        8.7723790070        4.5455262357
 Pt        -1.4065883099        7.2215809220        2.2361192079
 Pt        -1.2309719956        7.0998339670        9.2276541065
 Pt        -0.1122448743        8.0647294458       -0.0935528903
 Pt         0.1127760626        7.9360567920        6.8645654559
 Pt        -1.3481094601        8.7854161208        4.5518514652
 Pt         1.3763667166        7.2152529128        2.2466250800
 Pt         1.5567526728        7.0707921225        9.1874346622
 Pt         2.6563332517        8.0652253042       -0.0909651440
 Pt         2.8360221142        7.9314872133        6.9168022898
 Pt         1.4290959054        8.7740622830        4.5464228643
 Pt         4.1496531337        7.2208299822        2.2600135166
 Pt         4.3447749303        7.0947823825        9.3219478044
 Pt         5.4137101635        8.0862616042       -0.0674199568
 Pt         5.6267959090        7.9174795221        6.9100640803
 Pt         4.1867157088        8.7762738053        4.5791493940
 Pt         6.9300325426        7.2278113612        2.2636335953
 Pt         7.1005329895        7.1051853193        9.2286537059
 Pt         8.2241678423        8.0602647787       -0.0848612326
 Pt         8.4271369294        7.9349226582        6.8800083819
 Pt         6.9722846093        8.7626594756        4.5701702390
 Pt         9.6962991278        7.2201342269        2.2142559265
 Pt         9.8625338389        7.0949189059        9.1976929435
 Pt        10.9975754271        8.0781261599       -0.0958664795
 Pt        11.1897479598        7.9315050575        6.8590506887
 Pt         9.7551993706        8.7683617649        4.5405003608
 Pt        -5.5770756037        9.6212131309        2.2106208220
 Pt        -5.4071651237        9.5081232250        9.2146464777
 Pt        -4.2574701415       10.4586069118       -0.0750597399
 Pt        -4.0486290179       10.3296766470        6.8774302206
 Pt        -5.5050039311       11.1678550297        4.5516573804
 Pt        -2.8013707695        9.6214246315        2.2292845502
 Pt        -2.6244059703        9.5046064839        9.2395318392
 Pt        -1.4852192192       10.4619406811       -0.1011796739
 Pt        -1.2826609556       10.3384489314        6.8853107718
 Pt        -2.7322000650       11.1790834812        4.5483367594
 Pt        -0.0226215745        9.6145985706        2.2287711146
 Pt         0.1562199349        9.4968325147        9.2031142756
 Pt         1.2660754201       10.4563424314       -0.0854912442
 Pt         1.4952575180       10.3335506481        6.8629145449
 Pt         0.0383777668       11.1843785181        4.5514675108
 Pt         2.7653307365        9.6120484500        2.2408053752
 Pt         2.9295887928        9.5277073527        9.1820703992
 Pt         4.0256793535       10.4914635046       -0.0728951310
 Pt         4.2163415845       10.3407781855        6.8911975000
 Pt         2.7940219321       11.1928330431        4.5613052971
 Pt         5.5442271731        9.6269321587        2.2652022381
 Pt         5.7475475768        9.5030414848        9.2148851321
 Pt         6.8442039677       10.4795309361       -0.0775099868
 Pt         7.0398323759       10.3326538931        6.8848282833
 Pt         5.5846573142       11.1769056501        4.5752664302
 Pt         8.3213555994        9.6269292425        2.2196345253
 Pt         8.4934040042        9.4729292546        9.2284471582
 Pt         9.6120387218       10.4762660483       -0.1167917007
 Pt         9.8199533848       10.3274655087        6.8751781155
 Pt         8.3657840118       11.1759809052        4.5510266102
 Pt        -6.9581610818       12.0178248004        2.2276005334
 Pt        -6.7769946145       11.8936277472        9.2173831854
 Pt        -5.6375067659       12.8769597298       -0.0640151199
 Pt        -5.4297367240       12.7337813989        6.8807788005
 Pt        -6.8960399439       13.5820333883        4.5669823246
 Pt        -4.1872629897       12.0280537361        2.2427218636
 Pt        -3.9964759093       11.8940599062        9.2124266075
 Pt        -2.8594397646       12.8743813101       -0.0668417304
 Pt        -2.6555498920       12.7411081536        6.8766900725
 Pt        -4.1122127589       13.5780089391        4.5590789003
 Pt        -1.4092093258       12.0233099859        2.2327543170
 Pt        -1.2233420078       11.9056340750        9.2082767032
 Pt        -0.0985311251       12.8753852087       -0.0674820184
 Pt         0.1146162929       12.7452966465        6.8769567510
 Pt        -1.3471047462       13.5888804101        4.5458588879
 Pt         1.3683345560       12.0180929759        2.2351659469
 Pt         1.5575871711       11.9174569273        9.1863108839
 Pt         2.6651407979       12.8778425307       -0.0901513912
 Pt         2.8953572902       12.7418956286        6.8858048891
 Pt         1.4256396631       13.5903039708        4.5474506689
 Pt         4.1443357765       12.0229429448        2.2448606301
 Pt         4.3506761387       11.8874709486        9.2207038591
 Pt         5.4435152036       12.8950034906       -0.0609622549
 Pt         5.6499217906       12.7381490528        6.8723081286
 Pt         4.1960300106       13.5752911436        4.5539107302
 Pt         6.9236921498       12.0287481546        2.2487477695
 Pt         7.1007085992       11.8846294697        9.2239601847
 Pt         8.2349378698       12.8943124340       -0.0874583269
 Pt         8.4333758814       12.7374088968        6.8716845699
 Pt         6.9754419734       13.5902713814        4.5457096238
  O         4.3691443350        7.1630312897       11.5866114706
  H         5.2570640732        7.4538373121       11.6983956625
  H         4.4543967171        6.1874189870       11.6937026975
     183
 i =       65, E =    -21650.0142440075
 Pt        -0.0417701584        0.0218597622        2.2396979595
 Pt         0.2509312475       -0.1828993180        9.1995084938
 Pt         1.2310033938        0.8978857954       -0.0814952402
 Pt         1.5297876889        0.6933976249        6.8813808445
 Pt         0.0588597899        1.5573266483        4.5698808717
 Pt         2.7387946895        0.0188807144        2.2427418494
 Pt         3.0288804466       -0.1836397868        9.1959128188
 Pt         4.0095669291        0.9061694396       -0.0855059207
 Pt         4.3094738302        0.6923393327        6.8918661016
 Pt         2.8309492286        1.5553433690        4.5723108215
 Pt         5.5155001628        0.0134377286        2.2399629870
 Pt         5.8019831615       -0.1824403677        9.2228819305
 Pt         6.7798852656        0.8992385260       -0.0898424366
 Pt         7.0772760948        0.6924528248        6.8756627618
 Pt         5.6022061722        1.5517926917        4.5727879902
 Pt         8.2914743249        0.0137631636        2.2273995159
 Pt         8.5677220595       -0.1769977655        9.1913993507
 Pt         9.5530761133        0.9024746709       -0.1047306818
 Pt         9.8508171338        0.6938583647        6.8457000891
 Pt         8.3824492173        1.5517212987        4.5438084830
 Pt        11.0662682333        0.0201222768        2.2176651711
 Pt        11.3405016202       -0.1811249277        9.1748866569
 Pt        12.3291977713        0.8958532483       -0.1127479261
 Pt        12.6273104380        0.6988141385        6.8580957626
 Pt        11.1673309277        1.5588804274        4.5337722094
 Pt        13.8376409458        0.0197231608        2.2306427924
 Pt        14.1203190285       -0.1813673819        9.2051179622
 Pt        15.1028201766        0.8953439334       -0.1023606586
 Pt        15.4014509933        0.6999606403        6.8824417076
 Pt        13.9404219762        1.5609051880        4.5493464194
 Pt        -1.4226097328        2.4224281529        2.2271552153
 Pt        -1.1403912961        2.2152409686        9.2184470571
 Pt        -0.1553452753        3.3019670228       -0.1034063998
 Pt         0.1446680160        3.0977896346        6.8972782268
 Pt        -1.3257966838        3.9607473836        4.5537859628
 Pt         1.3471857682        2.4221640464        2.2542212570
 Pt         1.6368692470        2.2197370428        9.2076989151
 Pt         2.6237270485        3.3053006628       -0.0526212162
 Pt         2.9236727885        3.0956651172        6.9034894919
 Pt         1.4439589329        3.9596460317        4.5845712150
 Pt         4.1292988471        2.4171782244        2.2655557678
 Pt         4.4123001386        2.2226805414        9.2279509948
 Pt         5.4084696892        3.3074846103       -0.0545479188
 Pt         5.6958547426        3.0994119813        6.9046775725
 Pt         4.2174087590        3.9647160816        4.6027235050
 Pt         6.9049434192        2.4176443196        2.2516305008
 Pt         7.1839645696        2.2249846044        9.2155213802
 Pt         8.1664174219        3.3064961822       -0.0993775429
 Pt         8.4586808623        3.1006988661        6.8632858091
 Pt         6.9920923803        3.9550489642        4.5765344646
 Pt         9.6768553757        2.4211197803        2.2205664463
 Pt         9.9533464079        2.2243264331        9.1637394187
 Pt        10.9377096659        3.3040265220       -0.1150498854
 Pt        11.2405736911        3.1007627944        6.8512068074
 Pt         9.7736903121        3.9579665402        4.5376411469
 Pt        12.4544913951        2.4229634524        2.2120474984
 Pt        12.7293320929        2.2177173236        9.1788039491
 Pt        13.7163092080        3.3012675623       -0.1218883648
 Pt        14.0182354498        3.1025021024        6.8710908481
 Pt        12.5547620673        3.9622159621        4.5367714063
 Pt        -2.8058236530        4.8241760005        2.2111612233
 Pt        -2.5286434787        4.6154184971        9.1997737470
 Pt        -1.5454046515        5.7072491300       -0.1214869262
 Pt        -1.2426222591        5.5005978054        6.8723403531
 Pt        -2.7113323578        6.3622219936        4.5416990727
 Pt        -0.0403648389        4.8216254015        2.2324683420
 Pt         0.2341387169        4.6242171669        9.2318326868
 Pt         1.2396376082        5.7047089910       -0.0759292030
 Pt         1.5310325061        5.4975930138        6.9067655508
 Pt         0.0626904363        6.3549946092        4.5599463743
 Pt         2.7330172265        4.8239700098        2.2767147136
 Pt         3.0007180414        4.6026925591        9.2387137677
 Pt         4.0214068912        5.7038936284       -0.0439165251
 Pt         4.3109231226        5.5086174150        6.9512610671
 Pt         2.8374222356        6.3578067580        4.6072621181
 Pt         5.5086685992        4.8212588583        2.2794233112
 Pt         5.8007458920        4.6164977369        9.2512594716
 Pt         6.7750444879        5.7080461881       -0.0658613874
 Pt         7.0840711545        5.5041178376        6.9099543302
 Pt         5.6050554212        6.3601151304        4.6174390365
 Pt         8.2839918132        4.8203369424        2.2386279538
 Pt         8.5699830566        4.6315866288        9.2076275508
 Pt         9.5518779194        5.7058145078       -0.1004714999
 Pt         9.8544731907        5.5004538776        6.8662002381
 Pt         8.3793608185        6.3579223172        4.5700081261
 Pt        11.0639689355        4.8239206867        2.2176439808
 Pt        11.3482049783        4.6193994598        9.1755901569
 Pt        12.3244106529        5.7074523460       -0.1130178850
 Pt        12.6358287935        5.4996634732        6.8613803268
 Pt        11.1584449308        6.3629064490        4.5446222849
 Pt        -4.1951842860        7.2244441721        2.2234690387
 Pt        -3.9149688273        7.0169827227        9.1835592290
 Pt        -2.9316685617        8.1151103206       -0.1063251285
 Pt        -2.6291948300        7.9031856608        6.8609378562
 Pt        -4.1038231148        8.7664363280        4.5477560922
 Pt        -1.4223833256        7.2246419261        2.2200081301
 Pt        -1.1439314223        7.0179593177        9.1862447639
 Pt        -0.1521380177        8.1120076251       -0.1005827052
 Pt         0.1435401680        7.9053210765        6.8763060647
 Pt        -1.3240231366        8.7596365985        4.5413632431
 Pt         1.3433688208        7.2269501242        2.2519090644
 Pt         1.5975902717        7.0223754643        9.2196549862
 Pt         2.6269814002        8.1088401021       -0.0647962350
 Pt         2.9109680811        7.9087707195        6.9175288048
 Pt         1.4516152113        8.7565856649        4.5647284224
 Pt         4.1136648490        7.2262743021        2.2865069805
 Pt         4.3626939242        7.0240082611        9.2686487754
 Pt         5.4054053349        8.0948372930       -0.0496457560
 Pt         5.6992395107        7.9074573325        6.9448378630
 Pt         4.2228666133        8.7598719566        4.6047930071
 Pt         6.8882267715        7.2202634712        2.2742616834
 Pt         7.1853174350        7.0298837418        9.2463907192
 Pt         8.1668082786        8.1044865744       -0.0592768465
 Pt         8.4698618748        7.9004966420        6.8962993376
 Pt         6.9877813222        8.7605809874        4.5906768504
 Pt         9.6709833140        7.2209381466        2.2476949856
 Pt         9.9573207182        7.0282702857        9.2093817007
 Pt        10.9441829823        8.1117482710       -0.0858583218
 Pt        11.2466039554        7.9000234049        6.8739788383
 Pt         9.7649865530        8.7668151557        4.5669702981
 Pt        -5.5868825514        9.6290900302        2.2399672924
 Pt        -5.2944433640        9.4232550139        9.2003330940
 Pt        -4.3191416896       10.5173389998       -0.0918439845
 Pt        -4.0197552952       10.3068676315        6.8724968232
 Pt        -5.4931929207       11.1682855987        4.5579223631
 Pt        -2.8100366865        9.6319752224        2.2255156247
 Pt        -2.5261156585        9.4257680696        9.1831377159
 Pt        -1.5416102709       10.5196038436       -0.1078889054
 Pt        -1.2460209563       10.3091492137        6.8653232913
 Pt        -2.7155354048       11.1650730247        4.5533571504
 Pt        -0.0401253937        9.6332889137        2.2261722967
 Pt         0.2396803099        9.4336369334        9.2007442230
 Pt         1.2366396498       10.5157220370       -0.0957925190
 Pt         1.5375302712       10.3101047874        6.8794104694
 Pt         0.0643159140       11.1582326847        4.5498726787
 Pt         2.7298458508        9.6329846792        2.2568351995
 Pt         3.0093405272        9.4556910850        9.2171511666
 Pt         4.0154881256       10.5022904353       -0.0746499828
 Pt         4.3126547696       10.3084452412        6.9058911626
 Pt         2.8402208056       11.1654182826        4.5614392512
 Pt         5.5026737978        9.6260792543        2.2696543362
 Pt         5.7955601434        9.4564945303        9.2432985723
 Pt         6.7721778682       10.5044303236       -0.0581112497
 Pt         7.0809210620       10.3088326202        6.8946674599
 Pt         5.6060299822       11.1685382446        4.5791132093
 Pt         8.2817692015        9.6265355138        2.2630558423
 Pt         8.5697381507        9.4345292570        9.2237111052
 Pt         9.5530702759       10.5094331926       -0.0759957388
 Pt         9.8547398017       10.3052974919        6.8863283691
 Pt         8.3787433062       11.1679168346        4.5722578687
 Pt        -6.9758335076       12.0336364457        2.2430999585
 Pt        -6.6818378796       11.8318256422        9.2023547519
 Pt        -5.7085836621       12.9170341755       -0.0925305912
 Pt        -5.4052422892       12.7068715340        6.8765836485
 Pt        -6.8785720684       13.5672618804        4.5549049303
 Pt        -4.1995371231       12.0339315393        2.2307742727
 Pt        -3.9085116456       11.8314610514        9.2054329179
 Pt        -2.9333754846       12.9181668412       -0.0994300240
 Pt        -2.6298802585       12.7084185233        6.8826082441
 Pt        -4.1057702873       13.5665120801        4.5600129260
 Pt        -1.4251264283       12.0323865952        2.2270415871
 Pt        -1.1393926240       11.8349744018        9.2106797080
 Pt        -0.1566661577       12.9182327456       -0.1072403146
 Pt         0.1431153401       12.7074055551        6.8695279325
 Pt        -1.3285241900       13.5629478812        4.5559911798
 Pt         1.3487640102       12.0330174910        2.2276668677
 Pt         1.6284019886       11.8415965436        9.2037381787
 Pt         2.6202405454       12.9139297639       -0.1067327833
 Pt         2.9186171905       12.7080134245        6.8643686835
 Pt         1.4481719915       13.5662195045        4.5377233457
 Pt         4.1232506236       12.0348797302        2.2416399653
 Pt         4.4007312938       11.8508655762        9.2216481848
 Pt         5.3942144136       12.9080003357       -0.0946783272
 Pt         5.6935744827       12.7137946816        6.8900506447
 Pt         4.2252902160       13.5735945306        4.5490544561
 Pt         6.8956734438       12.0330133851        2.2534388079
 Pt         7.1860278981       11.8374453173        9.2177228100
 Pt         8.1627821212       12.9064114667       -0.0804199229
 Pt         8.4670889341       12.7123067199        6.8865392415
 Pt         6.9955418414       13.5701697391        4.5661628711
  O         4.3425032377        7.1338006105       11.6219031152
  H         5.2627799856        7.5432248636       11.4855343699
  H         4.4899257152        6.1933179757       11.8057133503
     183
 i =       66, E =    -21650.0175283264
 Pt        -0.0264275871        0.0103523864        2.2437154336
 Pt         0.1886920267       -0.1339751177        9.2159267930
 Pt         1.2759677921        0.8699731433       -0.0865057945
 Pt         1.5009714809        0.7154100614        6.8830102810
 Pt         0.0480739570        1.5628320658        4.5596593044
 Pt         2.7491468016        0.0138751722        2.2368231557
 Pt         2.9614401106       -0.1330037338        9.2046108754
 Pt         4.0479786071        0.8702831226       -0.0999862548
 Pt         4.2767605957        0.7207359026        6.8765204042
 Pt         2.8230653591        1.5672706960        4.5607206225
 Pt         5.5225460542        0.0158318653        2.2296690292
 Pt         5.7384238522       -0.1308690233        9.1962943854
 Pt         6.8238377316        0.8699444119       -0.1011168821
 Pt         7.0518085775        0.7233890556        6.8661288354
 Pt         5.5936564641        1.5691811515        4.5504604621
 Pt         8.2989087816        0.0131966828        2.2232372611
 Pt         8.5152718061       -0.1266665664        9.1970984396
 Pt         9.5995013871        0.8731649524       -0.1104269448
 Pt         9.8263010441        0.7224456467        6.8628931738
 Pt         8.3704352390        1.5667638057        4.5434223549
 Pt        11.0717256740        0.0117035804        2.2254017162
 Pt        11.2901529047       -0.1244497002        9.2002132206
 Pt        12.3732646078        0.8706857513       -0.1062739682
 Pt        12.5994046796        0.7222711493        6.8690457572
 Pt        11.1465000767        1.5656357614        4.5427888331
 Pt        13.8457692531        0.0114347913        2.2365884407
 Pt        14.0623172632       -0.1281219391        9.2065595920
 Pt        15.1483476223        0.8696809130       -0.0902824642
 Pt        15.3742539544        0.7185765964        6.8763570618
 Pt        13.9193313722        1.5644506176        4.5530857940
 Pt        -1.4149862820        2.4143606546        2.2366367653
 Pt        -1.2042384694        2.2685162818        9.2062184985
 Pt        -0.1122647635        3.2724477356       -0.0891410274
 Pt         0.1111751456        3.1180616900        6.8813827833
 Pt        -1.3433582074        3.9688088018        4.5534391131
 Pt         1.3605960753        2.4132842394        2.2470904252
 Pt         1.5722682648        2.2639334510        9.2109435173
 Pt         2.6587257373        3.2736935640       -0.0758590476
 Pt         2.8870268096        3.1194435182        6.8825550854
 Pt         1.4309515293        3.9703263638        4.5686718665
 Pt         4.1356092774        2.4139180950        2.2392502960
 Pt         4.3477862977        2.2671469101        9.2123013972
 Pt         5.4319328277        3.2740785721       -0.0777632798
 Pt         5.6602219436        3.1220572038        6.8784307050
 Pt         4.2067724006        3.9792733370        4.5742377813
 Pt         6.9126930930        2.4167464177        2.2299198232
 Pt         7.1227828452        2.2704580766        9.1971575851
 Pt         8.2090415388        3.2762719322       -0.1022795366
 Pt         8.4368686968        3.1250603734        6.8668135748
 Pt         6.9834805354        3.9692990506        4.5617150887
 Pt         9.6865642932        2.4145165058        2.2204194249
 Pt         9.8997216709        2.2743665178        9.1918105932
 Pt        10.9854544925        3.2754421239       -0.1123117075
 Pt        11.2131472021        3.1247844093        6.8619857153
 Pt         9.7598060865        3.9674283563        4.5418240188
 Pt        12.4590859637        2.4145814034        2.2221385396
 Pt        12.6744426548        2.2758991629        9.1992540848
 Pt        13.7605181304        3.2736796752       -0.1039204818
 Pt        13.9851987085        3.1247000331        6.8696444648
 Pt        12.5323940055        3.9655394987        4.5433965639
 Pt        -2.8029561867        4.8174780622        2.2273128670
 Pt        -2.5920767342        4.6735770141        9.1965184325
 Pt        -1.5016222277        5.6754006261       -0.0973642093
 Pt        -1.2784831047        5.5267398196        6.8724544588
 Pt        -2.7306301626        6.3730080501        4.5436693902
 Pt        -0.0274412094        4.8166160667        2.2410328634
 Pt         0.1779303393        4.6678904383        9.2153158873
 Pt         1.2734452798        5.6775368815       -0.0831228734
 Pt         1.4961646985        5.5204845251        6.8876192457
 Pt         0.0419887831        6.3709849426        4.5567513051
 Pt         2.7470973723        4.8165110932        2.2608540027
 Pt         2.9464421960        4.6568396247        9.2275629058
 Pt         4.0446730450        5.6752951574       -0.0604932504
 Pt         4.2680758297        5.5316181704        6.9384073640
 Pt         2.8221828635        6.3739405953        4.5888201417
 Pt         5.5212667157        4.8192000925        2.2631791409
 Pt         5.7410913395        4.6563003966        9.2283735129
 Pt         6.8155165517        5.6767726456       -0.0725031259
 Pt         7.0422033641        5.5278536237        6.8957525613
 Pt         5.5878089562        6.3730939141        4.6028718231
 Pt         8.2979812036        4.8178268262        2.2359832980
 Pt         8.5085776957        4.6758103685        9.2000036450
 Pt         9.5948108668        5.6765325897       -0.1036361258
 Pt         9.8213626607        5.5262384277        6.8656073645
 Pt         8.3691001732        6.3701795749        4.5604608528
 Pt        11.0726626807        4.8164123770        2.2195040058
 Pt        11.2842847674        4.6774219862        9.1879227700
 Pt        12.3711396389        5.6750422055       -0.1089496759
 Pt        12.5995783995        5.5279909347        6.8601849597
 Pt        11.1436944447        6.3712083818        4.5408307202
 Pt        -4.1894993904        7.2199469053        2.2225265423
 Pt        -3.9776190514        7.0782221307        9.1969363055
 Pt        -2.8887744540        8.0784195174       -0.1021504169
 Pt        -2.6630151193        7.9294795162        6.8676539988
 Pt        -4.1166940462        8.7740148242        4.5457834127
 Pt        -1.4155172963        7.2216954303        2.2294955868
 Pt        -1.2061933406        7.0760636135        9.1967482426
 Pt        -0.1150310362        8.0770794622       -0.0972425362
 Pt         0.1074620111        7.9313431681        6.8661728835
 Pt        -1.3420491776        8.7762144366        4.5459571657
 Pt         1.3590167464        7.2201020188        2.2443461702
 Pt         1.5520246871        7.0723810766        9.2088129077
 Pt         2.6574736020        8.0778267433       -0.0815269165
 Pt         2.8860220832        7.9247148834        6.9192067326
 Pt         1.4376531655        8.7719199962        4.5537448959
 Pt         4.1322355364        7.2214321129        2.2682750866
 Pt         4.3476646261        7.0757199156        9.2933962334
 Pt         5.4322769050        8.0763979907       -0.0611469386
 Pt         5.6507427542        7.9289380110        6.9320664699
 Pt         4.2031173031        8.7699887898        4.5898246714
 Pt         6.9080446499        7.2201239162        2.2612734557
 Pt         7.1377478419        7.0764800800        9.2261013785
 Pt         8.2045801548        8.0765429235       -0.0820389814
 Pt         8.4318883971        7.9309636078        6.8733933611
 Pt         6.9714302855        8.7693951641        4.5710136151
 Pt         9.6835770822        7.2174958852        2.2281754204
 Pt         9.8952429675        7.0803439501        9.1943524724
 Pt        10.9847750696        8.0798477276       -0.1041554636
 Pt        11.2091933772        7.9279781958        6.8642339773
 Pt         9.7526407926        8.7744231281        4.5471590140
 Pt        -5.5799132845        9.6217710133        2.2270121661
 Pt        -5.3631658641        9.4803375282        9.1958183940
 Pt        -4.2763183858       10.4808602649       -0.0978251785
 Pt        -4.0501067644       10.3314863124        6.8685799063
 Pt        -5.5052657972       11.1758859943        4.5512385403
 Pt        -2.8031467249        9.6250555819        2.2246630055
 Pt        -2.5892338894        9.4803446338        9.1972973239
 Pt        -1.5018392395       10.4812302187       -0.1096179737
 Pt        -1.2742251870       10.3335721938        6.8666347727
 Pt        -2.7285729993       11.1778952436        4.5474177124
 Pt        -0.0303780118        9.6240879295        2.2250508881
 Pt         0.1835477564        9.4826663276        9.1923738630
 Pt         1.2724980213       10.4806494353       -0.0984069404
 Pt         1.4952257192       10.3336792816        6.8634101914
 Pt         0.0447322069       11.1780193336        4.5434860853
 Pt         2.7463292856        9.6228688895        2.2427458777
 Pt         2.9542725846        9.5000130009        9.2030620928
 Pt         4.0465138573       10.4781313282       -0.0835550222
 Pt         4.2751442329       10.3326161676        6.8886715016
 Pt         2.8194598137       11.1782419329        4.5537525945
 Pt         5.5211001669        9.6224199234        2.2601062033
 Pt         5.7433069330        9.4954128727        9.2225961736
 Pt         6.8197830882       10.4808066460       -0.0769601682
 Pt         7.0474546688       10.3314218777        6.8785255623
 Pt         5.5879373927       11.1747099194        4.5690916525
 Pt         8.2971964470        9.6213988248        2.2358010054
 Pt         8.5127297263        9.4813377364        9.2102481171
 Pt         9.5965050911       10.4828939630       -0.1043677206
 Pt         9.8217967293       10.3296871056        6.8720992264
 Pt         8.3673507768       11.1730753365        4.5581905756
 Pt        -6.9652921564       12.0234115166        2.2355071107
 Pt        -6.7488455991       11.8831422301        9.2037282778
 Pt        -5.6639127267       12.8856079511       -0.0888410567
 Pt        -5.4348843273       12.7334621166        6.8747432756
 Pt        -6.8897656857       13.5792242289        4.5609452070
 Pt        -4.1904145951       12.0279614403        2.2341085963
 Pt        -3.9740972922       11.8835132182        9.1984023157
 Pt        -2.8861098536       12.8857149272       -0.0949106815
 Pt        -2.6600144442       12.7368426619        6.8685291036
 Pt        -4.1158009571       13.5823980812        4.5524482053
 Pt        -1.4154927334       12.0269729617        2.2253849549
 Pt        -1.1977460604       11.8856184100        9.1940812608
 Pt        -0.1143607776       12.8856899783       -0.1015609387
 Pt         0.1140847900       12.7391070982        6.8648297290
 Pt        -1.3403511958       13.5832197408        4.5459361707
 Pt         1.3603937398       12.0261006633        2.2274043192
 Pt         1.5742274149       11.8904016433        9.1920732665
 Pt         2.6609537050       12.8842024909       -0.1030087199
 Pt         2.8874556712       12.7377416861        6.8712977013
 Pt         1.4317073493       13.5829220356        4.5449839850
 Pt         4.1342417408       12.0255725925        2.2385798498
 Pt         4.3526917669       11.8916422219        9.2137983488
 Pt         5.4361231360       12.8835784368       -0.0886603904
 Pt         5.6634737596       12.7350705272        6.8797912903
 Pt         4.2062908265       13.5802976564        4.5538340263
 Pt         6.9088400588       12.0250445807        2.2458142372
 Pt         7.1277084380       11.8829018950        9.2085594278
 Pt         8.2114470241       12.8834384049       -0.0874839592
 Pt         8.4381419187       12.7327837011        6.8810216466
 Pt         6.9834822363       13.5772978685        4.5613781854
  O         4.3859128137        7.1187491793       11.5951029133
  H         5.2869256331        7.4681096496       11.6931928797
  H         4.4689622278        6.1542966016       11.7897568239
     183
 i =       67, E =    -21650.0180241571
 Pt        -0.0338132537        0.0143441889        2.2449206924
 Pt         0.2089641591       -0.1507968927        9.2165267138
 Pt         1.2570980796        0.8824803329       -0.0841798611
 Pt         1.5114508539        0.7077350719        6.8822835577
 Pt         0.0503712041        1.5607059516        4.5651914046
 Pt         2.7430718744        0.0163363400        2.2380280728
 Pt         2.9830022209       -0.1512186464        9.2046149088
 Pt         4.0308664266        0.8813967403       -0.0950533142
 Pt         4.2882403414        0.7107742673        6.8767756217
 Pt         2.8239058425        1.5628466602        4.5635756274
 Pt         5.5172151310        0.0170027431        2.2304770879
 Pt         5.7594178231       -0.1500494365        9.2011342617
 Pt         6.8060195833        0.8804985715       -0.0986846402
 Pt         7.0626503937        0.7119784715        6.8674397923
 Pt         5.5964997052        1.5641442265        4.5542226148
 Pt         8.2938848086        0.0143461999        2.2219976015
 Pt         8.5329393566       -0.1457461273        9.1952391263
 Pt         9.5816183224        0.8821240918       -0.1077212982
 Pt         9.8347014838        0.7109050756        6.8578797079
 Pt         8.3735773627        1.5624082669        4.5414504741
 Pt        11.0674490543        0.0142282113        2.2250152250
 Pt        11.3066426176       -0.1427063792        9.1957303238
 Pt        12.3565084908        0.8805116185       -0.1022141253
 Pt        12.6097904537        0.7109209646        6.8711517542
 Pt        11.1508620455        1.5631991063        4.5418999505
 Pt        13.8410312478        0.0148045258        2.2388831735
 Pt        14.0811182448       -0.1459294886        9.2099424091
 Pt        15.1298963589        0.8810227316       -0.0866256989
 Pt        15.3848019727        0.7107128937        6.8814142648
 Pt        13.9250453044        1.5610153512        4.5558456150
 Pt        -1.4200545114        2.4178704124        2.2394892117
 Pt        -1.1833274424        2.2501725847        9.2129820714
 Pt        -0.1303448341        3.2845500472       -0.0888771059
 Pt         0.1232124782        3.1123414976        6.8858500851
 Pt        -1.3367652967        3.9646682299        4.5568979800
 Pt         1.3535921401        2.4169370531        2.2496130500
 Pt         1.5930603522        2.2490856327        9.2135814302
 Pt         2.6432869540        3.2862802259       -0.0712037238
 Pt         2.8990977732        3.1111672903        6.8844723796
 Pt         1.4340093672        3.9659068578        4.5736047552
 Pt         4.1307529612        2.4164296534        2.2433998459
 Pt         4.3697875591        2.2504608266        9.2150240093
 Pt         5.4185043959        3.2849977639       -0.0750126173
 Pt         5.6726198227        3.1138673565        6.8796363668
 Pt         4.2111220217        3.9736646574        4.5773372175
 Pt         6.9076078965        2.4175945829        2.2325503803
 Pt         7.1441616042        2.2530060299        9.1985314936
 Pt         8.1929528743        3.2856408142       -0.1033591136
 Pt         8.4486737217        3.1150171452        6.8643270959
 Pt         6.9869202356        3.9655989871        4.5605955780
 Pt         9.6814225168        2.4165837338        2.2202218840
 Pt         9.9189693436        2.2563139600        9.1862724592
 Pt        10.9682322498        3.2844867928       -0.1107929893
 Pt        11.2228848834        3.1141863487        6.8587109316
 Pt         9.7624598718        3.9651658345        4.5396933145
 Pt        12.4552022697        2.4177859808        2.2244860470
 Pt        12.6924694758        2.2546340396        9.1986479372
 Pt        13.7439345429        3.2840788785       -0.1017049397
 Pt        13.9978896216        3.1144830721        6.8729189596
 Pt        12.5371601038        3.9645251829        4.5436341536
 Pt        -2.8064790657        4.8207182369        2.2259898416
 Pt        -2.5707633789        4.6538227468        9.2013654502
 Pt        -1.5185351114        5.6874908466       -0.1003039255
 Pt        -1.2613774632        5.5158257274        6.8745175129
 Pt        -2.7258271769        6.3696775133        4.5434359525
 Pt        -0.0331826198        4.8201741359        2.2398959062
 Pt         0.2006442085        4.6500914926        9.2199772698
 Pt         1.2580962886        5.6898631127       -0.0822498980
 Pt         1.5085082955        5.5126702168        6.8931657728
 Pt         0.0481997487        6.3664134825        4.5579948079
 Pt         2.7409334396        4.8207209417        2.2629798873
 Pt         2.9661639818        4.6399642492        9.2298820273
 Pt         4.0308697335        5.6856056694       -0.0612735398
 Pt         4.2845755812        5.5208017463        6.9349920769
 Pt         2.8238109381        6.3692080804        4.5907916287
 Pt         5.5166830121        4.8208212102        2.2628451711
 Pt         5.7639270382        4.6428145723        9.2298222410
 Pt         6.8039221629        5.6866814024       -0.0781006577
 Pt         7.0565095387        5.5187979308        6.8914948666
 Pt         5.5944655624        6.3691428448        4.5994623427
 Pt         8.2924915353        4.8188550699        2.2318655691
 Pt         8.5320234166        4.6572798215        9.1970242787
 Pt         9.5786949409        5.6869685891       -0.1040900665
 Pt         9.8344139821        5.5170366486        6.8634988181
 Pt         8.3717207537        6.3656273258        4.5582782742
 Pt        11.0680861811        4.8201530487        2.2196724870
 Pt        11.3047072009        4.6579804563        9.1875546988
 Pt        12.3546161743        5.6868206671       -0.1076903234
 Pt        12.6094862528        5.5187496019        6.8592440507
 Pt        11.1473397004        6.3695718453        4.5406422819
 Pt        -4.1939939645        7.2227710728        2.2220714303
 Pt        -3.9558773836        7.0587074959        9.1954486163
 Pt        -2.9052558976        8.0911368887       -0.1030249984
 Pt        -2.6523114943        7.9207561006        6.8646902186
 Pt        -4.1141923787        8.7715592291        4.5450617595
 Pt        -1.4198210070        7.2244991989        2.2273989938
 Pt        -1.1858355425        7.0592531859        9.1985012463
 Pt        -0.1296210954        8.0908399484       -0.0969185416
 Pt         0.1227217639        7.9204146265        6.8678584317
 Pt        -1.3363038814        8.7711017766        4.5447470186
 Pt         1.3530526240        7.2234267292        2.2459234026
 Pt         1.5730880033        7.0549613228        9.2090514881
 Pt         2.6439851824        8.0894631655       -0.0795609222
 Pt         2.8938557800        7.9203309937        6.9129813743
 Pt         1.4411433068        8.7657181193        4.5557338437
 Pt         4.1243094908        7.2243589923        2.2677145302
 Pt         4.3622620001        7.0590235341        9.2813105351
 Pt         5.4181340866        8.0874316992       -0.0642932777
 Pt         5.6700541472        7.9185829619        6.9272315774
 Pt         4.2079888841        8.7667100614        4.5879810856
 Pt         6.9018327047        7.2201588925        2.2592630536
 Pt         7.1596097746        7.0606117695        9.2254759837
 Pt         8.1919831820        8.0865990930       -0.0790801656
 Pt         8.4486004324        7.9205086006        6.8757648881
 Pt         6.9771961850        8.7645509444        4.5709676153
 Pt         9.6783671930        7.2202218644        2.2298876981
 Pt         9.9192542244        7.0620773553        9.1950255482
 Pt        10.9690088168        8.0916036768       -0.0986306629
 Pt        11.2214371842        7.9183708165        6.8649180475
 Pt         9.7568298900        8.7705229322        4.5506643653
 Pt        -5.5845787927        9.6250890479        2.2291350578
 Pt        -5.3401516986        9.4629728286        9.1970128852
 Pt        -4.2933386538       10.4928144268       -0.0964702214
 Pt        -4.0378129460       10.3225235214        6.8685496751
 Pt        -5.5011129954       11.1722649467        4.5525069117
 Pt        -2.8082655600        9.6280849765        2.2241174175
 Pt        -2.5679190943        9.4630546248        9.1950800594
 Pt        -1.5179519161       10.4942879615       -0.1094584836
 Pt        -1.2642475496       10.3248232028        6.8644019219
 Pt        -2.7257979267       11.1741534461        4.5453491562
 Pt        -0.0352248906        9.6280800931        2.2247988658
 Pt         0.2038433333        9.4661158607        9.1951917328
 Pt         1.2578240696       10.4928469723       -0.0980669545
 Pt         1.5100142625       10.3229757770        6.8666318875
 Pt         0.0504038068       11.1720240215        4.5440075045
 Pt         2.7398331356        9.6263467615        2.2440440755
 Pt         2.9739462841        9.4836652201        9.2056122302
 Pt         4.0306381802       10.4896751227       -0.0845246508
 Pt         4.2850419952       10.3247980575        6.8905295001
 Pt         2.8229425947       11.1737717990        4.5558368530
 Pt         5.5137262344        9.6244964174        2.2592287441
 Pt         5.7652416090        9.4811417452        9.2246294135
 Pt         6.8051302307       10.4909190269       -0.0745928269
 Pt         7.0628295456       10.3226609780        6.8814135886
 Pt         5.5938999525       11.1724861162        4.5704884380
 Pt         8.2907167811        9.6239323519        2.2398239611
 Pt         8.5338282370        9.4628210713        9.2115874299
 Pt         9.5804245638       10.4931232585       -0.0950116258
 Pt         9.8352359454       10.3196539846        6.8749390746
 Pt         8.3710639746       11.1707137885        4.5600941731
 Pt        -6.9710743987       12.0265392076        2.2375911577
 Pt        -6.7266532094       11.8658895195        9.2037891452
 Pt        -5.6817756214       12.8971014677       -0.0896550942
 Pt        -5.4230245048       12.7233136913        6.8744758690
 Pt        -6.8880341658       13.5750168097        4.5602168612
 Pt        -4.1965516595       12.0304845821        2.2316314290
 Pt        -3.9518820048       11.8652320865        9.1986626641
 Pt        -2.9052406812       12.8976855443       -0.0975764748
 Pt        -2.6491293820       12.7264391888        6.8702692301
 Pt        -4.1125073999       13.5771530605        4.5533394108
 Pt        -1.4210926086       12.0297284940        2.2239942407
 Pt        -1.1790856040       11.8678135200        9.1962224091
 Pt        -0.1314573206       12.8966445625       -0.1040357847
 Pt         0.1241175663       12.7274734009        6.8650341361
 Pt        -1.3387000712       13.5771210595        4.5452188391
 Pt         1.3544750026       12.0293126488        2.2267901116
 Pt         1.5940315334       11.8723763650        9.1938271227
 Pt         2.6443717205       12.8958797119       -0.1017199494
 Pt         2.9002270212       12.7253673282        6.8709285822
 Pt         1.4372675593       13.5769340222        4.5428629110
 Pt         4.1287271147       12.0293234482        2.2381586796
 Pt         4.3716169253       11.8725607590        9.2154180063
 Pt         5.4191119845       12.8945953245       -0.0888817709
 Pt         5.6734029977       12.7269351319        6.8828012591
 Pt         4.2111393304       13.5760454395        4.5544834261
 Pt         6.9025920037       12.0286961783        2.2481490324
 Pt         7.1476163072       11.8664029605        9.2123677837
 Pt         8.1929229334       12.8950087793       -0.0838694822
 Pt         8.4494188135       12.7251737494        6.8823177761
 Pt         6.9861844206       13.5744215714        4.5648111049
  O         4.3767828288        7.1545747400       11.6006454977
  H         5.2853955330        7.4972422694       11.7000573768
  H         4.4484659467        6.2002033710       11.8098239325
     183
 i =       68, E =    -21650.0181559788
 Pt        -0.0366878619        0.0158911226        2.2452539596
 Pt         0.2177132332       -0.1560315871        9.2158953417
 Pt         1.2492971402        0.8858432652       -0.0833867485
 Pt         1.5154744741        0.7054446084        6.8824892519
 Pt         0.0511089497        1.5594121444        4.5670610626
 Pt         2.7402298820        0.0172649940        2.2377232578
 Pt         2.9924603552       -0.1567880263        9.2030177424
 Pt         4.0236932302        0.8851246040       -0.0954082915
 Pt         4.2925417545        0.7079478466        6.8758945023
 Pt         2.8245501642        1.5619963871        4.5627988037
 Pt         5.5145094004        0.0171740323        2.2289063682
 Pt         5.7680641573       -0.1559376892        9.2006894949
 Pt         6.7983581081        0.8835379859       -0.1004805093
 Pt         7.0662528225        0.7081937708        6.8651584766
 Pt         5.5969382106        1.5629346818        4.5530592612
 Pt         8.2910675884        0.0148749138        2.2209046979
 Pt         8.5403898876       -0.1526027012        9.1943332417
 Pt         9.5737542452        0.8850800124       -0.1080639288
 Pt         9.8387833844        0.7061098163        6.8562495320
 Pt         8.3747573583        1.5605612626        4.5395403166
 Pt        11.0652728071        0.0155814713        2.2250756365
 Pt        11.3141205724       -0.1504776374        9.1945899776
 Pt        12.3494644197        0.8838495989       -0.1014889288
 Pt        12.6137064829        0.7074733654        6.8709205712
 Pt        11.1530837884        1.5617576777        4.5414619845
 Pt        13.8386699425        0.0155416179        2.2397151851
 Pt        14.0901652613       -0.1526243680        9.2107824401
 Pt        15.1225596134        0.8844177581       -0.0862713220
 Pt        15.3889054280        0.7082835608        6.8835936489
 Pt        13.9263549320        1.5601603472        4.5574405258
 Pt        -1.4223598849        2.4192907554        2.2400033367
 Pt        -1.1738782990        2.2446859548        9.2149660264
 Pt        -0.1370210422        3.2883309801       -0.0896998748
 Pt         0.1280277737        3.1096597631        6.8879110892
 Pt        -1.3359189840        3.9636492494        4.5575038704
 Pt         1.3507418079        2.4187515007        2.2495869923
 Pt         1.6026615278        2.2440876251        9.2131399408
 Pt         2.6371802349        3.2902632086       -0.0705105456
 Pt         2.9040740734        3.1083972931        6.8846812416
 Pt         1.4355229354        3.9652192063        4.5736859068
 Pt         4.1284325481        2.4178894547        2.2432618770
 Pt         4.3793911902        2.2453371345        9.2130086276
 Pt         5.4149799926        3.2897881984       -0.0765055317
 Pt         5.6780947238        3.1112870663        6.8791964114
 Pt         4.2119398450        3.9727540359        4.5772650537
 Pt         6.9050508456        2.4181481544        2.2314450854
 Pt         7.1529198249        2.2471311805        9.1969723858
 Pt         8.1865357840        3.2887053427       -0.1065861617
 Pt         8.4522342952        3.1113097921        6.8611126139
 Pt         6.9879357936        3.9644594590        4.5578542374
 Pt         9.6789785972        2.4177579559        2.2192755052
 Pt         9.9262770031        2.2492234701        9.1833805576
 Pt        10.9606498242        3.2875226011       -0.1115663281
 Pt        11.2278038146        3.1100673058        6.8578289586
 Pt         9.7644056225        3.9639321620        4.5375709843
 Pt        12.4531985699        2.4192240360        2.2244938841
 Pt        12.7004328059        2.2474439969        9.1976682183
 Pt        13.7364220577        3.2873497410       -0.1029680564
 Pt        14.0021021494        3.1117922171        6.8741702860
 Pt        12.5397524158        3.9639652560        4.5434817650
 Pt        -2.8085503363        4.8222671905        2.2247407922
 Pt        -2.5621131032        4.6473812511        9.2023582833
 Pt        -1.5254575222        5.6914702358       -0.1025256832
 Pt        -1.2578010573        5.5129346643        6.8752573612
 Pt        -2.7237249172        6.3681369083        4.5436534385
 Pt        -0.0361623464        4.8216374442        2.2390136659
 Pt         0.2088182819        4.6461488380        9.2214924184
 Pt         1.2531579683        5.6932053122       -0.0828367129
 Pt         1.5151741117        5.5105843780        6.8948177450
 Pt         0.0501127290        6.3641053852        4.5586178709
 Pt         2.7381584442        4.8223323452        2.2624149879
 Pt         2.9757686830        4.6326865394        9.2294212790
 Pt         4.0271687526        5.6897622928       -0.0625481417
 Pt         4.2908480521        5.5181596676        6.9334097937
 Pt         2.8261926667        6.3669632953        4.5906103628
 Pt         5.5140567344        4.8218712644        2.2597052403
 Pt         5.7737499670        4.6371588507        9.2282767511
 Pt         6.7978246679        5.6910826201       -0.0828362271
 Pt         7.0627719222        5.5155949708        6.8899508854
 Pt         5.5961378343        6.3674186125        4.5974286990
 Pt         8.2900878062        4.8194625990        2.2284873689
 Pt         8.5417804166        4.6514963965        9.1946459670
 Pt         9.5722279878        5.6896422467       -0.1070695722
 Pt         9.8398784582        5.5132649429        6.8606248117
 Pt         8.3729516999        6.3644792132        4.5553873847
 Pt        11.0657210505        4.8214649668        2.2185778327
 Pt        11.3138794360        4.6502537849        9.1858794989
 Pt        12.3474708515        5.6904336924       -0.1093952655
 Pt        12.6155695133        5.5143805099        6.8600022186
 Pt        11.1492940878        6.3683887021        4.5393682088
 Pt        -4.1959502427        7.2239105329        2.2211299628
 Pt        -3.9464488601        7.0515674142        9.1940430362
 Pt        -2.9121855430        8.0955768968       -0.1043529607
 Pt        -2.6471603876        7.9167258041        6.8641021480
 Pt        -4.1121459106        8.7706199015        4.5441036949
 Pt        -1.4220403995        7.2257060202        2.2269927239
 Pt        -1.1772169010        7.0529947731        9.1982181243
 Pt        -0.1354125111        8.0952057045       -0.0975531510
 Pt         0.1266900051        7.9172220065        6.8688467393
 Pt        -1.3347273037        8.7691460930        4.5436193770
 Pt         1.3498632974        7.2249630734        2.2453119863
 Pt         1.5799599899        7.0501297932        9.2093642843
 Pt         2.6392989628        8.0933892160       -0.0803850089
 Pt         2.9000475959        7.9178797523        6.9114848317
 Pt         1.4428009629        8.7642088330        4.5560244296
 Pt         4.1211703789        7.2257279440        2.2678209341
 Pt         4.3703880514        7.0520521630        9.2804133833
 Pt         5.4138499527        8.0907787447       -0.0662451495
 Pt         5.6772141072        7.9163279582        6.9259334239
 Pt         4.2107581937        8.7658941407        4.5873015468
 Pt         6.8980167681        7.2207701664        2.2559424255
 Pt         7.1683073321        7.0543182165        9.2246116752
 Pt         8.1862653066        8.0901324344       -0.0802521132
 Pt         8.4536096789        7.9164658395        6.8754676397
 Pt         6.9786679883        8.7641960585        4.5707347967
 Pt         9.6759436132        7.2212611727        2.2288732721
 Pt         9.9292439671        7.0557729757        9.1941705460
 Pt        10.9627832276        8.0950082828       -0.0994053354
 Pt        11.2278933170        7.9150267552        6.8637128636
 Pt         9.7578545233        8.7699026240        4.5497401398
 Pt        -5.5863794650        9.6266824667        2.2285792820
 Pt        -5.3299635825        9.4566739079        9.1958225159
 Pt        -4.3001086012       10.4970315165       -0.0985614690
 Pt        -4.0330265035       10.3193291952        6.8667093352
 Pt        -5.5000650810       11.1717723262        4.5514053055
 Pt        -2.8102776924        9.6294303896        2.2227616084
 Pt        -2.5585746936        9.4568486356        9.1927399188
 Pt        -1.5250274540       10.4989548418       -0.1108689700
 Pt        -1.2600270326       10.3210088190        6.8627772454
 Pt        -2.7240975255       11.1729441044        4.5440691563
 Pt        -0.0379389259        9.6301578920        2.2241710095
 Pt         0.2124398830        9.4603133768        9.1958104399
 Pt         1.2520434620       10.4973455093       -0.0996014161
 Pt         1.5146007348       10.3201370889        6.8671156824
 Pt         0.0518476137       11.1700537574        4.5430785670
 Pt         2.7368587012        9.6282687427        2.2433258825
 Pt         2.9830309837        9.4767999795        9.2068369652
 Pt         4.0260496125       10.4927491698       -0.0863080593
 Pt         4.2920511531       10.3206041777        6.8911147309
 Pt         2.8256633527       11.1718192200        4.5561292547
 Pt         5.5104952971        9.6255222962        2.2575242791
 Pt         5.7730433306        9.4763974619        9.2245325901
 Pt         6.7982288558       10.4945394054       -0.0747805057
 Pt         7.0675359146       10.3200602422        6.8812453547
 Pt         5.5959173924       11.1711952048        4.5698114981
 Pt         8.2873330966        9.6249932554        2.2400550914
 Pt         8.5425993470        9.4575588681        9.2101186506
 Pt         9.5740534032       10.4967325465       -0.0941224160
 Pt         9.8404630066       10.3171989878        6.8742980176
 Pt         8.3720191787       11.1698114845        4.5601958884
 Pt        -6.9736320128       12.0284041086        2.2374487515
 Pt        -6.7173918234       11.8602944530        9.2029467912
 Pt        -5.6893201662       12.9009502186       -0.0919925545
 Pt        -5.4188836503       12.7206466658        6.8735725723
 Pt        -6.8866975436       13.5735835023        4.5593548947
 Pt        -4.1987718981       12.0316111560        2.2292238254
 Pt        -3.9428178734       11.8594820315        9.1971435846
 Pt        -2.9131362707       12.9012300096       -0.1007259335
 Pt        -2.6450338799       12.7232906539        6.8681198939
 Pt        -4.1120907546       13.5760212078        4.5519820620
 Pt        -1.4238346272       12.0309785691        2.2217461241
 Pt        -1.1707241208       11.8617218083        9.1956623986
 Pt        -0.1385610725       12.9002127729       -0.1074110860
 Pt         0.1281433970       12.7232582735        6.8639249320
 Pt        -1.3370806028       13.5754021019        4.5438933845
 Pt         1.3517506926       12.0305349975        2.2259968656
 Pt         1.6022981699       11.8653256402        9.1956244872
 Pt         2.6380514221       12.8999188590       -0.1026610154
 Pt         2.9040216460       12.7212849229        6.8702805178
 Pt         1.4381513184       13.5746344932        4.5417748575
 Pt         4.1263371839       12.0303812928        2.2377365769
 Pt         4.3793340411       11.8666625034        9.2153779916
 Pt         5.4127404810       12.8975930703       -0.0908713750
 Pt         5.6783136349       12.7234519382        6.8844578723
 Pt         4.2130319976       13.5746627437        4.5547575930
 Pt         6.8995638903       12.0296244292        2.2475402696
 Pt         7.1564733923       11.8611031329        9.2124527704
 Pt         8.1853904040       12.8984249334       -0.0831969848
 Pt         8.4536164337       12.7229154141        6.8829090258
 Pt         6.9872433820       13.5730125220        4.5659995180
  O         4.3671198392        7.1626437995       11.6060901888
  H         5.2782305257        7.5080768078       11.7147151308
  H         4.4361435697        6.2127228259       11.8319814487
     183
 i =       69, E =    -21650.0182177444
 Pt        -0.0359179236        0.0147894394        2.2432229603
 Pt         0.2106046818       -0.1464287556        9.2125566917
 Pt         1.2544169177        0.8786009704       -0.0857130621
 Pt         1.5102364607        0.7114518118        6.8799657678
 Pt         0.0487419330        1.5614842042        4.5655913651
 Pt         2.7412072239        0.0158506300        2.2343886599
 Pt         2.9853582298       -0.1471219431        9.1989328909
 Pt         4.0287032113        0.8787642826       -0.1007087229
 Pt         4.2871834645        0.7134272810        6.8707551451
 Pt         2.8223785023        1.5649444859        4.5577474385
 Pt         5.5149005340        0.0157078803        2.2241260842
 Pt         5.7606876888       -0.1466032196        9.1943844326
 Pt         6.8028947263        0.8772493118       -0.1057974691
 Pt         7.0611378477        0.7127141875        6.8595085322
 Pt         5.5941417346        1.5656659037        4.5469914810
 Pt         8.2911690262        0.0139448430        2.2184391134
 Pt         8.5333754993       -0.1447631783        9.1926017056
 Pt         9.5782705133        0.8792906815       -0.1102225120
 Pt         9.8343253497        0.7102450773        6.8563910890
 Pt         8.3722770611        1.5623292307        4.5359561995
 Pt        11.0657099384        0.0147493906        2.2246406625
 Pt        11.3074941586       -0.1440751277        9.1952291340
 Pt        12.3545807736        0.8784458517       -0.1014987192
 Pt        12.6086974938        0.7120431894        6.8704397687
 Pt        11.1505240264        1.5628729316        4.5416970602
 Pt        13.8390243915        0.0142991549        2.2393924834
 Pt        14.0842549443       -0.1445526692        9.2091738970
 Pt        15.1279886130        0.8784574864       -0.0871198539
 Pt        15.3836031902        0.7136837539        6.8818981912
 Pt        13.9232487547        1.5620285241        4.5574418001
 Pt        -1.4216305274        2.4181067701        2.2398651555
 Pt        -1.1797829659        2.2545831801        9.2120151447
 Pt        -0.1307839331        3.2820800827       -0.0903043649
 Pt         0.1233742413        3.1152515824        6.8861426672
 Pt        -1.3393267661        3.9657450532        4.5564139215
 Pt         1.3516043046        2.4180614831        2.2465185803
 Pt         1.5964436802        2.2536008007        9.2093003078
 Pt         2.6428520531        3.2837769031       -0.0746738014
 Pt         2.8990630621        3.1139488074        6.8808103666
 Pt         1.4334001725        3.9682143457        4.5702435340
 Pt         4.1290952947        2.4172899081        2.2378103864
 Pt         4.3722234261        2.2549384055        9.2063623252
 Pt         5.4229937569        3.2855157817       -0.0833644066
 Pt         5.6735509329        3.1165836897        6.8729801466
 Pt         4.2091826154        3.9752298723        4.5717959287
 Pt         6.9051253870        2.4175035729        2.2265470874
 Pt         7.1459199868        2.2555654178        9.1910691453
 Pt         8.1920098266        3.2830087302       -0.1117061820
 Pt         8.4468949882        3.1153931316        6.8561050951
 Pt         6.9857081475        3.9666935957        4.5519199831
 Pt         9.6790262884        2.4169789433        2.2170877975
 Pt         9.9188326537        2.2563797696        9.1821382744
 Pt        10.9654322407        3.2818276793       -0.1130853350
 Pt        11.2234409257        3.1141889354        6.8583033623
 Pt         9.7626351194        3.9654703273        4.5349912742
 Pt        12.4534748406        2.4181253030        2.2243180049
 Pt        12.6933271374        2.2556450046        9.1964633665
 Pt        13.7409298093        3.2815055488       -0.1034183498
 Pt        13.9968220322        3.1167356054        6.8732280013
 Pt        12.5372683366        3.9654534807        4.5437498663
 Pt        -2.8080990923        4.8215523232        2.2245538621
 Pt        -2.5693178173        4.6568343997        9.2007320982
 Pt        -1.5200378147        5.6856142385       -0.1027305104
 Pt        -1.2644206861        5.5183692718        6.8739062552
 Pt        -2.7257479070        6.3696808800        4.5440565605
 Pt        -0.0356316364        4.8209005736        2.2384349331
 Pt         0.2011299174        4.6576321123        9.2185650231
 Pt         1.2603745702        5.6860891450       -0.0841903791
 Pt         1.5119685938        5.5166834278        6.8933103317
 Pt         0.0484826428        6.3659646181        4.5584068148
 Pt         2.7389497700        4.8219785844        2.2582647649
 Pt         2.9706170716        4.6402376300        9.2251689772
 Pt         4.0348349030        5.6848507933       -0.0664432084
 Pt         4.2863948105        5.5229915699        6.9294591783
 Pt         2.8250603654        6.3690118026        4.5888949515
 Pt         5.5147140492        4.8214124062        2.2529435512
 Pt         5.7675349876        4.6449192052        9.2216157764
 Pt         6.8022736455        5.6870001815       -0.0893091467
 Pt         7.0589380469        5.5204014242        6.8848493531
 Pt         5.5941223210        6.3692565961        4.5925325907
 Pt         8.2910590107        4.8189109116        2.2240603672
 Pt         8.5354031873        4.6603524606        9.1899089802
 Pt         9.5776445969        5.6832361482       -0.1116365483
 Pt         9.8357325156        5.5174611695        6.8562111208
 Pt         8.3710794681        6.3670345018        4.5505768153
 Pt        11.0658374774        4.8206114796        2.2167342985
 Pt        11.3070721005        4.6574964926        9.1838698813
 Pt        12.3524289249        5.6846326116       -0.1112897927
 Pt        12.6118101724        5.5182291934        6.8602588544
 Pt        11.1473797821        6.3702168783        4.5366007417
 Pt        -4.1951681486        7.2233461186        2.2189642747
 Pt        -3.9540951114        7.0601141341        9.1922931615
 Pt        -2.9074336962        8.0900411235       -0.1069463382
 Pt        -2.6513832925        7.9208629527        6.8631210552
 Pt        -4.1136916293        8.7726184548        4.5411661683
 Pt        -1.4212718973        7.2248368270        2.2273022933
 Pt        -1.1839993090        7.0617261139        9.1968036246
 Pt        -0.1293857058        8.0886767887       -0.0983150839
 Pt         0.1211257619        7.9223340458        6.8686672104
 Pt        -1.3365674373        8.7710499467        4.5419278172
 Pt         1.3501459427        7.2241594073        2.2438672033
 Pt         1.5723629613        7.0598652994        9.2085973568
 Pt         2.6457015691        8.0873702571       -0.0822038057
 Pt         2.8979581295        7.9227513655        6.9108261029
 Pt         1.4409793926        8.7668543562        4.5549951886
 Pt         4.1222622201        7.2251494887        2.2660671941
 Pt         4.3654671290        7.0602495713        9.2799100857
 Pt         5.4211274987        8.0853360019       -0.0690161777
 Pt         5.6728996835        7.9215269810        6.9237427307
 Pt         4.2092727430        8.7682886604        4.5860721723
 Pt         6.8982794800        7.2206078127        2.2501130022
 Pt         7.1623657637        7.0619484302        9.2196973641
 Pt         8.1918438257        8.0848738650       -0.0854281523
 Pt         8.4479426911        7.9210045886        6.8704751973
 Pt         6.9763863715        8.7671397448        4.5672863753
 Pt         9.6769925657        7.2208422563        2.2250143103
 Pt         9.9225056113        7.0644149184        9.1900050994
 Pt        10.9680458167        8.0888527990       -0.1047141435
 Pt        11.2244880718        7.9195631475        6.8599382194
 Pt         9.7556192222        8.7727032985        4.5447011171
 Pt        -5.5850102523        9.6262966498        2.2240847928
 Pt        -5.3364901997        9.4651463139        9.1913297280
 Pt        -4.2949186507       10.4915137033       -0.1038659594
 Pt        -4.0377234589       10.3241279594        6.8624377400
 Pt        -5.5021256548       11.1742904777        4.5472113108
 Pt        -2.8091191508        9.6288155235        2.2201196573
 Pt        -2.5658707011        9.4656634423        9.1900680216
 Pt        -1.5204109329       10.4932994115       -0.1139240246
 Pt        -1.2652495023       10.3250928174        6.8597326176
 Pt        -2.7258923224       11.1751046101        4.5411024808
 Pt        -0.0371836778        9.6297004932        2.2228350747
 Pt         0.2056349343        9.4687301394        9.1951553737
 Pt         1.2579778314       10.4917259683       -0.1011813420
 Pt         1.5089041534       10.3254199046        6.8663834071
 Pt         0.0494777632       11.1719632436        4.5409461360
 Pt         2.7371573165        9.6275018129        2.2418568568
 Pt         2.9764992995        9.4833026758        9.2074266130
 Pt         4.0335073818       10.4861894297       -0.0878018613
 Pt         4.2895382369       10.3248380447        6.8892867365
 Pt         2.8242053676       11.1737949586        4.5552381550
 Pt         5.5110217833        9.6251095411        2.2541483655
 Pt         5.7647400830        9.4851952807        9.2211836679
 Pt         6.8031663761       10.4896812511       -0.0781572052
 Pt         7.0622068652       10.3256762645        6.8769889261
 Pt         5.5936391390       11.1736640142        4.5670695140
 Pt         8.2879691186        9.6245410139        2.2356959719
 Pt         8.5353827847        9.4675341512        9.2040151631
 Pt         9.5798973182       10.4912990706       -0.0997842811
 Pt         9.8357521400       10.3231149378        6.8691308017
 Pt         8.3698057797       11.1722315035        4.5566616114
 Pt        -6.9724871428       12.0276964681        2.2339561158
 Pt        -6.7248295962       11.8693849397        9.1989046714
 Pt        -5.6840265216       12.8948043745       -0.0969976486
 Pt        -5.4241920423       12.7264154571        6.8696471008
 Pt        -6.8881115907       13.5756249444        4.5560406930
 Pt        -4.1975697586       12.0302769282        2.2250179612
 Pt        -3.9505089501       11.8687712110        9.1918611900
 Pt        -2.9084187103       12.8949103926       -0.1051301528
 Pt        -2.6503265263       12.7281980084        6.8623808996
 Pt        -4.1145394878       13.5783834636        4.5475564000
 Pt        -1.4232045372       12.0300058527        2.2183907464
 Pt        -1.1778442835       11.8705518818        9.1918258427
 Pt        -0.1331043793       12.8941999461       -0.1112365011
 Pt         0.1230042243       12.7275881616        6.8612028877
 Pt        -1.3388878671       13.5776980761        4.5402824628
 Pt         1.3524869187       12.0294801127        2.2246639752
 Pt         1.5953924869       11.8725102981        9.1962860485
 Pt         2.6438964881       12.8946950097       -0.1035810360
 Pt         2.8980928905       12.7260044113        6.8698026697
 Pt         1.4349467438       13.5761213560        4.5409383367
 Pt         4.1270498683       12.0294301046        2.2369705087
 Pt         4.3715296307       11.8757470431        9.2132716801
 Pt         5.4189027350       12.8915293009       -0.0932801596
 Pt         5.6736291963       12.7283800222        6.8834317234
 Pt         4.2102989942       13.5766821521        4.5541495430
 Pt         6.9001905885       12.0285074196        2.2443645661
 Pt         7.1499066812       11.8705299216        9.2086187100
 Pt         8.1910932195       12.8923478459       -0.0860656968
 Pt         8.4484740187       12.7287482229        6.8801954124
 Pt         6.9849209588       13.5746727145        4.5644545433
  O         4.3642971004        7.1415007855       11.6135465983
  H         5.2754327273        7.4952532817       11.7490331643
  H         4.4320212435        6.1929183551       11.8413507301
     183
 i =       70, E =    -21650.0183220939
 Pt        -0.0381366059        0.0158855222        2.2437969699
 Pt         0.2184044237       -0.1517379831        9.2135193477
 Pt         1.2490834726        0.8823742852       -0.0851031964
 Pt         1.5146964963        0.7085298687        6.8802196796
 Pt         0.0496859934        1.5608054895        4.5660324498
 Pt         2.7389322328        0.0172087330        2.2340175321
 Pt         2.9928816989       -0.1521308977        9.1989917637
 Pt         4.0228071795        0.8817356013       -0.1013259672
 Pt         4.2916488115        0.7106298254        6.8702097252
 Pt         2.8234907901        1.5638914775        4.5580051404
 Pt         5.5124950680        0.0167732773        2.2229157308
 Pt         5.7680847210       -0.1515614868        9.1934109671
 Pt         6.7973794174        0.8801732044       -0.1073865105
 Pt         7.0661593257        0.7094251501        6.8585245437
 Pt         5.5955628508        1.5644421275        4.5460593848
 Pt         8.2889172270        0.0148106914        2.2170314304
 Pt         8.5410452540       -0.1496675136        9.1916986758
 Pt         9.5728669034        0.8822644195       -0.1113919703
 Pt         9.8390427055        0.7070155906        6.8555272046
 Pt         8.3734886653        1.5616880184        4.5340678582
 Pt        11.0633261843        0.0155194440        2.2241355631
 Pt        11.3150944374       -0.1486457859        9.1958024092
 Pt        12.3488913979        0.8815872731       -0.1019873992
 Pt        12.6133015430        0.7085892084        6.8712624737
 Pt        11.1512197089        1.5616762432        4.5410215817
 Pt        13.8364822727        0.0154245678        2.2395711812
 Pt        14.0916171163       -0.1490036984        9.2104697296
 Pt        15.1226784753        0.8817929824       -0.0866738459
 Pt        15.3878560343        0.7106822649        6.8826122857
 Pt        13.9239784210        1.5608678064        4.5577403537
 Pt        -1.4238550110        2.4191740942        2.2403686999
 Pt        -1.1722166272        2.2495434775        9.2132692087
 Pt        -0.1361044017        3.2857470025       -0.0897426313
 Pt         0.1274991108        3.1124306623        6.8866957574
 Pt        -1.3383666819        3.9646093128        4.5570171136
 Pt         1.3495463561        2.4191661857        2.2469722385
 Pt         1.6043877515        2.2484698985        9.2104502784
 Pt         2.6370823067        3.2870543212       -0.0746849602
 Pt         2.9033864157        3.1113865964        6.8810309984
 Pt         1.4344120584        3.9670390131        4.5708712891
 Pt         4.1267090554        2.4182632390        2.2372537111
 Pt         4.3799755104        2.2499719663        9.2066432233
 Pt         5.4160091936        3.2874950051       -0.0849739436
 Pt         5.6777956585        3.1136110524        6.8719813593
 Pt         4.2106177781        3.9739166799        4.5713575959
 Pt         6.9027272816        2.4184633190        2.2246100729
 Pt         7.1533282189        2.2506100103        9.1898354183
 Pt         8.1864250436        3.2859613570       -0.1130489818
 Pt         8.4518973026        3.1119843418        6.8545811895
 Pt         6.9868378475        3.9656125132        4.5503089400
 Pt         9.6766416112        2.4177770980        2.2152633486
 Pt         9.9264862267        2.2513184763        9.1815831128
 Pt        10.9601787349        3.2847706724       -0.1138780405
 Pt        11.2279213759        3.1107003807        6.8573469694
 Pt         9.7637108932        3.9644776010        4.5330529122
 Pt        12.4511217245        2.4190601507        2.2238823528
 Pt        12.7011097250        2.2507455635        9.1973484006
 Pt        13.7357165957        3.2848652229       -0.1030191901
 Pt        14.0014971023        3.1133955083        6.8739247182
 Pt        12.5379231928        3.9638331285        4.5429272496
 Pt        -2.8100502576        4.8224709028        2.2245417854
 Pt        -2.5618699311        4.6519969965        9.2017131287
 Pt        -1.5253182073        5.6888311119       -0.1026175313
 Pt        -1.2595630703        5.5153254350        6.8745573693
 Pt        -2.7247487573        6.3685604703        4.5434404429
 Pt        -0.0373946416        4.8218093901        2.2389699331
 Pt         0.2094440895        4.6518722851        9.2193562891
 Pt         1.2542400567        5.6897403842       -0.0845746056
 Pt         1.5159936588        5.5135529254        6.8931067229
 Pt         0.0493533668        6.3652963827        4.5583184186
 Pt         2.7372136754        4.8230269112        2.2579265777
 Pt         2.9784689455        4.6366158653        9.2260679952
 Pt         4.0283877767        5.6878543779       -0.0672596402
 Pt         4.2906732355        5.5207094814        6.9296938097
 Pt         2.8260199540        6.3682739948        4.5885087701
 Pt         5.5125901671        4.8224509843        2.2517774924
 Pt         5.7751455745        4.6407881095        9.2209133829
 Pt         6.7975882982        5.6894310727       -0.0909284403
 Pt         7.0632816159        5.5174223891        6.8834623151
 Pt         5.5949957147        6.3683193023        4.5910871528
 Pt         8.2885651702        4.8203612853        2.2223712258
 Pt         8.5424518812        4.6550131984        9.1884477788
 Pt         9.5723705640        5.6865424717       -0.1132081101
 Pt         9.8403107297        5.5139539355        6.8551231270
 Pt         8.3723997512        6.3661758672        4.5496224981
 Pt        11.0637556443        4.8214510147        2.2151880138
 Pt        11.3140898915        4.6527889659        9.1834585211
 Pt        12.3472457860        5.6877004213       -0.1115185980
 Pt        12.6159677850        5.5149392588        6.8592754495
 Pt        11.1486025446        6.3691215828        4.5349754608
 Pt        -4.1970047847        7.2245470808        2.2179392919
 Pt        -3.9470537716        7.0554618772        9.1920674436
 Pt        -2.9126717200        8.0930151589       -0.1077084528
 Pt        -2.6469608907        7.9178784262        6.8628241318
 Pt        -4.1124517576        8.7713981123        4.5400544607
 Pt        -1.4232201074        7.2257122372        2.2266072832
 Pt        -1.1769201359        7.0572265988        9.1978513993
 Pt        -0.1352092592        8.0917029935       -0.0992072642
 Pt         0.1253010864        7.9196475320        6.8686414110
 Pt        -1.3355431556        8.7700124554        4.5414846032
 Pt         1.3482385780        7.2250834868        2.2435623141
 Pt         1.5810838528        7.0548079519        9.2087554410
 Pt         2.6399130826        8.0904279819       -0.0828343631
 Pt         2.9019832108        7.9198130353        6.9096364547
 Pt         1.4418099690        8.7661232180        4.5546135882
 Pt         4.1202734423        7.2262198380        2.2643460363
 Pt         4.3728264081        7.0548517997        9.2805285494
 Pt         5.4148076745        8.0890696741       -0.0697469236
 Pt         5.6763219665        7.9178394632        6.9241000948
 Pt         4.2102675207        8.7670255758        4.5855062603
 Pt         6.8963973460        7.2219796774        2.2491787699
 Pt         7.1691891065        7.0575463647        9.2195014635
 Pt         8.1867783990        8.0879952809       -0.0863909271
 Pt         8.4526747439        7.9180094245        6.8700909087
 Pt         6.9777196043        8.7656094241        4.5668341047
 Pt         9.6747516430        7.2218932691        2.2236133866
 Pt         9.9294703856        7.0591649650        9.1889904482
 Pt        10.9626290068        8.0919775797       -0.1057324368
 Pt        11.2287000930        7.9158542566        6.8590484078
 Pt         9.7569741906        8.7716172910        4.5440546885
 Pt        -5.5873116790        9.6273552222        2.2233858467
 Pt        -5.3297897185        9.4602216038        9.1910827173
 Pt        -4.3003626897       10.4944244387       -0.1048429872
 Pt        -4.0331728631       10.3207251039        6.8621507810
 Pt        -5.5009571891       11.1730469671        4.5465206110
 Pt        -2.8112723351        9.6298851696        2.2191913971
 Pt        -2.5589024218        9.4609645274        9.1908428414
 Pt        -1.5258655852       10.4958628334       -0.1153443255
 Pt        -1.2607817744       10.3218831192        6.8600272600
 Pt        -2.7248487740       11.1738764212        4.5401774475
 Pt        -0.0392672138        9.6302959989        2.2223536800
 Pt         0.2126588270        9.4637740443        9.1956989960
 Pt         1.2518633121       10.4941675002       -0.1017075380
 Pt         1.5124259371       10.3221788210        6.8667818728
 Pt         0.0503948743       11.1709547271        4.5406262336
 Pt         2.7350119972        9.6282129237        2.2414545008
 Pt         2.9838124382        9.4786072964        9.2072844172
 Pt         4.0268268066       10.4899866137       -0.0879162982
 Pt         4.2933874931       10.3219822954        6.8888748404
 Pt         2.8248302165       11.1727842762        4.5551637209
 Pt         5.5088879095        9.6259014419        2.2539230967
 Pt         5.7731722912        9.4795393857        9.2211169385
 Pt         6.7981709613       10.4928135955       -0.0783212350
 Pt         7.0672329705       10.3222902171        6.8772143663
 Pt         5.5948017916       11.1724767194        4.5676608322
 Pt         8.2860320590        9.6255266094        2.2351366741
 Pt         8.5432197573        9.4621398039        9.2045025201
 Pt         9.5743004322       10.4944794652       -0.1008089208
 Pt         9.8403804128       10.3196927799        6.8689435090
 Pt         8.3712076707       11.1713590464        4.5567121913
 Pt        -6.9747682577       12.0286098094        2.2335530368
 Pt        -6.7173586890       11.8646033849        9.1985773357
 Pt        -5.6894993923       12.8978870680       -0.0972496520
 Pt        -5.4194725897       12.7234246491        6.8690999861
 Pt        -6.8872655549       13.5751132155        4.5561828633
 Pt        -4.2000160006       12.0315506899        2.2241256200
 Pt        -3.9433370534       11.8638543380        9.1914017893
 Pt        -2.9138411442       12.8977808579       -0.1065007475
 Pt        -2.6455587114       12.7249956154        6.8618855281
 Pt        -4.1132506965       13.5772815277        4.5467910667
 Pt        -1.4255145938       12.0308722441        2.2172814779
 Pt        -1.1705509361       11.8654508565        9.1920153676
 Pt        -0.1388450703       12.8969498466       -0.1118391535
 Pt         0.1275822674       12.7240910795        6.8610586887
 Pt        -1.3378943427       13.5765639664        4.5389225480
 Pt         1.3503242403       12.0303085985        2.2241224456
 Pt         1.6025228547       11.8678213651        9.1965881108
 Pt         2.6377932779       12.8977158864       -0.1037354712
 Pt         2.9025032688       12.7228581134        6.8705776950
 Pt         1.4359784699       13.5753312537        4.5404293176
 Pt         4.1247240919       12.0301953640        2.2371077389
 Pt         4.3793657755       11.8703553470        9.2145881488
 Pt         5.4129879907       12.8951022371       -0.0927723306
 Pt         5.6778378590       12.7252275198        6.8839158054
 Pt         4.2109743044       13.5754946344        4.5545144913
 Pt         6.8979337681       12.0295964626        2.2447114542
 Pt         7.1576054383       11.8654323795        9.2096435622
 Pt         8.1857981267       12.8957088889       -0.0860017072
 Pt         8.4529844834       12.7256169152        6.8803204655
 Pt         6.9858613695       13.5740143793        4.5649392678
  O         4.3533015119        7.1530956502       11.6178461313
  H         5.2629704810        7.5052029202       11.7549621682
  H         4.4186749383        6.2073050382       11.8572725416
     183
 i =       71, E =    -21650.0184011868
 Pt        -0.0392779516        0.0160636961        2.2420530179
 Pt         0.2209914162       -0.1524496421        9.2125146058
 Pt         1.2481755265        0.8828447186       -0.0865892975
 Pt         1.5159977018        0.7080618378        6.8791332699
 Pt         0.0495604152        1.5612757644        4.5644520463
 Pt         2.7376405690        0.0174700160        2.2327681360
 Pt         2.9950184006       -0.1526486018        9.1984002238
 Pt         4.0212911171        0.8817005709       -0.1031380865
 Pt         4.2933026280        0.7098283472        6.8697772709
 Pt         2.8239406317        1.5637763868        4.5578415705
 Pt         5.5111724964        0.0172429128        2.2212863187
 Pt         5.7704217763       -0.1522877322        9.1922306360
 Pt         6.7961313037        0.8804852769       -0.1087796662
 Pt         7.0684348972        0.7084240214        6.8578486254
 Pt         5.5962326863        1.5640876773        4.5451670296
 Pt         8.2876956525        0.0151385134        2.2155458196
 Pt         8.5440921408       -0.1502445981        9.1906767850
 Pt         9.5718295713        0.8825515754       -0.1130164858
 Pt         9.8411212332        0.7064084205        6.8555521672
 Pt         8.3732196341        1.5621133102        4.5332485016
 Pt        11.0616425880        0.0159052134        2.2221727170
 Pt        11.3185130198       -0.1487844252        9.1972640917
 Pt        12.3476304226        0.8817811652       -0.1045898912
 Pt        12.6149615868        0.7079993126        6.8716004097
 Pt        11.1501109941        1.5616133118        4.5403485081
 Pt        13.8349156343        0.0158979923        2.2375863131
 Pt        14.0942021375       -0.1491471194        9.2108310336
 Pt        15.1218815602        0.8821174171       -0.0888787333
 Pt        15.3891997380        0.7097403340        6.8812930079
 Pt        13.9231210771        1.5607264583        4.5562026426
 Pt        -1.4251689999        2.4190477362        2.2388351007
 Pt        -1.1696176415        2.2486377038        9.2125039169
 Pt        -0.1373280918        3.2859155494       -0.0906847478
 Pt         0.1285122520        3.1116363849        6.8858156813
 Pt        -1.3390240652        3.9646546130        4.5563805775
 Pt         1.3487212926        2.4190365644        2.2463701420
 Pt         1.6071578661        2.2477029763        9.2107656230
 Pt         2.6353059865        3.2869207020       -0.0758475448
 Pt         2.9046005741        3.1109960148        6.8813947438
 Pt         1.4342329859        3.9672749228        4.5709899738
 Pt         4.1254910925        2.4183611315        2.2363179107
 Pt         4.3824972069        2.2492626615        9.2076692519
 Pt         5.4123083875        3.2866853698       -0.0861554866
 Pt         5.6790470193        3.1122190224        6.8720185540
 Pt         4.2107707006        3.9737386044        4.5715159977
 Pt         6.9013620125        2.4190654918        2.2233734807
 Pt         7.1556181238        2.2496718256        9.1894760139
 Pt         8.1844362610        3.2864037779       -0.1126677276
 Pt         8.4539439664        3.1113979278        6.8555362986
 Pt         6.9867822403        3.9657345274        4.5505375089
 Pt         9.6750683317        2.4180620432        2.2140760058
 Pt         9.9300067211        2.2507280666        9.1825897720
 Pt        10.9590133148        3.2851250362       -0.1151661246
 Pt        11.2295827552        3.1100286548        6.8574936462
 Pt         9.7629963214        3.9644946625        4.5328553880
 Pt        12.4492888201        2.4190626859        2.2221863047
 Pt        12.7046735766        2.2506634826        9.1984698199
 Pt        13.7351334775        3.2851618456       -0.1038365992
 Pt        14.0028571323        3.1126512265        6.8733696167
 Pt        12.5368934086        3.9632159688        4.5419649870
 Pt        -2.8111900969        4.8222376551        2.2238062696
 Pt        -2.5586090457        4.6518776574        9.2009182174
 Pt        -1.5262311590        5.6885486745       -0.1032356412
 Pt        -1.2578670097        5.5147713731        6.8738564632
 Pt        -2.7251925634        6.3683082721        4.5418249485
 Pt        -0.0380976461        4.8214712978        2.2386922372
 Pt         0.2135631769        4.6507189029        9.2189197526
 Pt         1.2520283482        5.6897620064       -0.0848055153
 Pt         1.5161845924        5.5129327729        6.8931467595
 Pt         0.0486364131        6.3658644005        4.5573232669
 Pt         2.7364949636        4.8226377537        2.2580274137
 Pt         2.9817502060        4.6373169023        9.2277985997
 Pt         4.0254199299        5.6873174360       -0.0673997061
 Pt         4.2911368706        5.5199771068        6.9297223781
 Pt         2.8252863876        6.3685938313        4.5885241831
 Pt         5.5113729486        4.8224800532        2.2519372403
 Pt         5.7777950870        4.6408969027        9.2205444977
 Pt         6.7959101659        5.6889725760       -0.0891268134
 Pt         7.0644389690        5.5163622006        6.8833933334
 Pt         5.5948151883        6.3682105457        4.5915831564
 Pt         8.2869615362        4.8211632523        2.2223368564
 Pt         8.5444078763        4.6535572436        9.1890156902
 Pt         9.5707242153        5.6872793192       -0.1130948572
 Pt         9.8414914735        5.5134132925        6.8561096653
 Pt         8.3724579819        6.3660878833        4.5502190299
 Pt        11.0626389541        4.8214815074        2.2141965825
 Pt        11.3166796984        4.6525480545        9.1841448356
 Pt        12.3464485631        5.6880136990       -0.1117607334
 Pt        12.6171784664        5.5144513430        6.8580815950
 Pt        11.1484169713        6.3686830930        4.5340934036
 Pt        -4.1979610735        7.2247853461        2.2162390078
 Pt        -3.9445237294        7.0552339606        9.1912033329
 Pt        -2.9139377647        8.0928635835       -0.1099335183
 Pt        -2.6454527002        7.9172746504        6.8617529879
 Pt        -4.1123246241        8.7710117172        4.5382081353
 Pt        -1.4245179409        7.2255666692        2.2244441587
 Pt        -1.1740352759        7.0567232084        9.1969818712
 Pt        -0.1374212971        8.0911160605       -0.1013582351
 Pt         0.1266295087        7.9189445995        6.8679534294
 Pt        -1.3358738973        8.7701048542        4.5398935383
 Pt         1.3475278797        7.2248395374        2.2431710686
 Pt         1.5855150954        7.0545755535        9.2089286305
 Pt         2.6375524297        8.0901053893       -0.0826048250
 Pt         2.9019803446        7.9197118857        6.9098562691
 Pt         1.4410824720        8.7666652989        4.5541107407
 Pt         4.1195601942        7.2261421627        2.2639132575
 Pt         4.3758512062        7.0555517759        9.2806997411
 Pt         5.4121901901        8.0894290556       -0.0692889386
 Pt         5.6768603894        7.9170389889        6.9246337770
 Pt         4.2094753158        8.7670484444        4.5856955318
 Pt         6.8962796396        7.2228352375        2.2501019657
 Pt         7.1721523062        7.0577190314        9.2186255484
 Pt         8.1848969977        8.0882629736       -0.0870709880
 Pt         8.4545689356        7.9174884714        6.8704275527
 Pt         6.9775884271        8.7654900427        4.5672870139
 Pt         9.6736890520        7.2225123130        2.2226687584
 Pt         9.9316871614        7.0580981387        9.1894102193
 Pt        10.9609537834        8.0924226850       -0.1075665572
 Pt        11.2299714185        7.9150689683        6.8587783850
 Pt         9.7572772755        8.7714878915        4.5438227534
 Pt        -5.5883393104        9.6276421922        2.2215451495
 Pt        -5.3280653372        9.4597194369        9.1910466840
 Pt        -4.3018568452       10.4944276172       -0.1063206184
 Pt        -4.0314548211       10.3193301051        6.8611870987
 Pt        -5.5006892180       11.1728571326        4.5455030926
 Pt        -2.8122137769        9.6298236071        2.2170287016
 Pt        -2.5570504438        9.4602963928        9.1910650650
 Pt        -1.5273823205       10.4951930486       -0.1179183389
 Pt        -1.2594100228       10.3209519335        6.8597986822
 Pt        -2.7248056769       11.1734151187        4.5387319382
 Pt        -0.0402825726        9.6296450625        2.2205776487
 Pt         0.2147561374        9.4626773456        9.1955682311
 Pt         1.2494370108       10.4930974038       -0.1022801281
 Pt         1.5135188025       10.3216786602        6.8666290871
 Pt         0.0501679727       11.1713422688        4.5395561169
 Pt         2.7340142057        9.6281785446        2.2417347344
 Pt         2.9866400155        9.4791618765        9.2066462442
 Pt         4.0238947095       10.4904434672       -0.0865529812
 Pt         4.2936357362       10.3221457548        6.8891518048
 Pt         2.8239527097       11.1733600373        4.5548950912
 Pt         5.5085099441        9.6264757461        2.2547801668
 Pt         5.7770844885        9.4793225164        9.2211861251
 Pt         6.7966777012       10.4930717174       -0.0784385022
 Pt         7.0688360638       10.3215941288        6.8773997590
 Pt         5.5943687545       11.1727461955        4.5680930410
 Pt         8.2857929349        9.6262698187        2.2344596851
 Pt         8.5462809734        9.4615054531        9.2056843142
 Pt         9.5723778296       10.4947452466       -0.1033386391
 Pt         9.8423352672       10.3189298179        6.8689585718
 Pt         8.3712944586       11.1716300703        4.5563175999
 Pt        -6.9759145279       12.0289098044        2.2322012938
 Pt        -6.7151620017       11.8644260746        9.1979032111
 Pt        -5.6906139750       12.8978663551       -0.0981486566
 Pt        -5.4176226862       12.7226650844        6.8681227138
 Pt        -6.8871921796       13.5756667775        4.5551492777
 Pt        -4.2013024626       12.0319250150        2.2227863225
 Pt        -3.9413078702       11.8631966030        9.1907144377
 Pt        -2.9146844907       12.8976510614       -0.1077178758
 Pt        -2.6434506844       12.7235421197        6.8611504399
 Pt        -4.1126857789       13.5771693124        4.5457771704
 Pt        -1.4263168047       12.0305560309        2.2162390530
 Pt        -1.1683631360       11.8644459250        9.1919451540
 Pt        -0.1402699048       12.8965083543       -0.1121878071
 Pt         0.1293360757       12.7232056266        6.8607333011
 Pt        -1.3379515498       13.5765670843        4.5375902288
 Pt         1.3489754435       12.0303461436        2.2229381423
 Pt         1.6049769193       11.8674649868        9.1963081115
 Pt         2.6358230978       12.8974418816       -0.1046367043
 Pt         2.9041717749       12.7225802503        6.8709477766
 Pt         1.4356099138       13.5759223445        4.5395670715
 Pt         4.1233259605       12.0305553010        2.2370606273
 Pt         4.3826419336       11.8698247113        9.2159631752
 Pt         5.4112243771       12.8957430225       -0.0923414772
 Pt         5.6791095228       12.7246331646        6.8837730947
 Pt         4.2102715625       13.5756513110        4.5539941792
 Pt         6.8972399775       12.0303077661        2.2444018438
 Pt         7.1601263499       11.8650686191        9.2101544226
 Pt         8.1846872476       12.8961226277       -0.0875992181
 Pt         8.4545910568       12.7248900590        6.8793330687
 Pt         6.9855476661       13.5745990845        4.5636762298
  O         4.3481224156        7.1525163269       11.6195201270
  H         5.2540063281        7.5053130240       11.7554781228
  H         4.4127686070        6.2075487093       11.8638855050
     183
 i =       72, E =    -21650.0184750424
 Pt        -0.0420180640        0.0166699708        2.2389592200
 Pt         0.2248478198       -0.1517157815        9.2095695331
 Pt         1.2462759871        0.8822766379       -0.0899508106
 Pt         1.5176325047        0.7083803984        6.8764646072
 Pt         0.0486515108        1.5621537346        4.5622213199
 Pt         2.7351466953        0.0178772111        2.2294381963
 Pt         2.9983631950       -0.1522313285        9.1956167158
 Pt         4.0187808130        0.8810105826       -0.1070629116
 Pt         4.2952897840        0.7091780877        6.8673331823
 Pt         2.8237107351        1.5642586375        4.5560302584
 Pt         5.5089867021        0.0173819698        2.2173644979
 Pt         5.7738449732       -0.1527235028        9.1891615206
 Pt         6.7937655561        0.8800293726       -0.1119702515
 Pt         7.0708167565        0.7071720755        6.8555013376
 Pt         5.5959913589        1.5641607187        4.5422146791
 Pt         8.2851555246        0.0156244829        2.2124126740
 Pt         8.5481186188       -0.1511082772        9.1886663949
 Pt         9.5694312345        0.8822568617       -0.1157682318
 Pt         9.8433517537        0.7059597778        6.8550210758
 Pt         8.3723660188        1.5626698662        4.5314953055
 Pt        11.0584778056        0.0168269958        2.2191041347
 Pt        11.3230709927       -0.1491152612        9.1986341939
 Pt        12.3452870765        0.8813684881       -0.1083793559
 Pt        12.6165015349        0.7076738592        6.8718470780
 Pt        11.1484016619        1.5619283638        4.5393012982
 Pt        13.8317919565        0.0167950789        2.2344431459
 Pt        14.0980802882       -0.1487290919        9.2110382805
 Pt        15.1199749829        0.8817161274       -0.0927562809
 Pt        15.3903268411        0.7095918508        6.8792537913
 Pt        13.9214815385        1.5609491925        4.5541790309
 Pt        -1.4280410804        2.4189085459        2.2361274712
 Pt        -1.1653201441        2.2487890672        9.2111177430
 Pt        -0.1393827675        3.2849429778       -0.0930188612
 Pt         0.1296612480        3.1117167149        6.8845588126
 Pt        -1.3402279949        3.9647496772        4.5549360932
 Pt         1.3463595099        2.4188964125        2.2445638213
 Pt         1.6115538535        2.2483035486        9.2097246656
 Pt         2.6329898375        3.2859064334       -0.0782538321
 Pt         2.9061746079        3.1112232274        6.8809983102
 Pt         1.4333131784        3.9676873055        4.5707300374
 Pt         4.1230027780        2.4181160963        2.2336294506
 Pt         4.3863563435        2.2494959607        9.2069509211
 Pt         5.4083806707        3.2856611728       -0.0891391984
 Pt         5.6807781820        3.1111160081        6.8703890481
 Pt         4.2103435725        3.9737848849        4.5703331414
 Pt         6.8985760462        2.4196177704        2.2202488136
 Pt         7.1594197897        2.2488989758        9.1876101272
 Pt         8.1812740959        3.2861677238       -0.1140091662
 Pt         8.4566621955        3.1103425374        6.8549386929
 Pt         6.9861371643        3.9659103035        4.5491643363
 Pt         9.6722681053        2.4186597238        2.2120620167
 Pt         9.9348991321        2.2497260815        9.1831238039
 Pt        10.9563505614        3.2849600099       -0.1174707055
 Pt        11.2313538935        3.1097923284        6.8576070076
 Pt         9.7617988404        3.9649294481        4.5319085635
 Pt        12.4460997000        2.4192387545        2.2195008592
 Pt        12.7097156171        2.2507189640        9.1994788885
 Pt        13.7334676687        3.2846207156       -0.1061800301
 Pt        14.0042228564        3.1120134031        6.8723115680
 Pt        12.5351046863        3.9628707247        4.5405742397
 Pt        -2.8137562592        4.8218709916        2.2217511576
 Pt        -2.5533933746        4.6522026420        9.1992751232
 Pt        -1.5280215585        5.6874872263       -0.1055858669
 Pt        -1.2559000584        5.5142755576        6.8722266490
 Pt        -2.7262169268        6.3683036557        4.5390867038
 Pt        -0.0405521976        4.8210151941        2.2371965522
 Pt         0.2194087268        4.6508262305        9.2181796204
 Pt         1.2494014691        5.6885990987       -0.0856926871
 Pt         1.5171222467        5.5129654706        6.8931315464
 Pt         0.0473244561        6.3665817377        4.5555331079
 Pt         2.7341232383        4.8223988098        2.2571693641
 Pt         2.9873792704        4.6390762851        9.2285520972
 Pt         4.0221975540        5.6863633714       -0.0687298477
 Pt         4.2923139644        5.5199115641        6.9286027865
 Pt         2.8239747150        6.3692279934        4.5879847716
 Pt         5.5089050589        4.8226360549        2.2505582108
 Pt         5.7816951095        4.6420721521        9.2183171427
 Pt         6.7929682793        5.6884149297       -0.0889683505
 Pt         7.0663918569        5.5156773304        6.8816611643
 Pt         5.5940955501        6.3687490257        4.5904334426
 Pt         8.2846854509        4.8219506709        2.2207767466
 Pt         8.5484889667        4.6525949578        9.1886353631
 Pt         9.5679603130        5.6874211187       -0.1139986298
 Pt         9.8436853155        5.5130850852        6.8558794019
 Pt         8.3720739960        6.3665755107        4.5489895272
 Pt        11.0601584232        4.8218072919        2.2121891408
 Pt        11.3213290247        4.6520069563        9.1845764163
 Pt        12.3445462488        5.6877081895       -0.1133421570
 Pt        12.6186972621        5.5141452432        6.8566033621
 Pt        11.1476089393        6.3687650453        4.5323610405
 Pt        -4.2001364185        7.2250323833        2.2128343733
 Pt        -3.9402129556        7.0552102200        9.1891502592
 Pt        -2.9163592910        8.0920972906       -0.1145201875
 Pt        -2.6433666676        7.9166234273        6.8588143649
 Pt        -4.1128758599        8.7711020414        4.5341980881
 Pt        -1.4271525263        7.2253955274        2.2204810099
 Pt        -1.1690854286        7.0567854464        9.1948632873
 Pt        -0.1402824040        8.0897941418       -0.1051467477
 Pt         0.1283463787        7.9187818799        6.8665846555
 Pt        -1.3366865266        8.7704840180        4.5363826954
 Pt         1.3450080968        7.2247072862        2.2419550310
 Pt         1.5920005414        7.0556364372        9.2092044434
 Pt         2.6347342559        8.0890326766       -0.0824808333
 Pt         2.9028501749        7.9202682972        6.9094301117
 Pt         1.4396834378        8.7673820005        4.5531160881
 Pt         4.1176479064        7.2262608288        2.2629693888
 Pt         4.3810517998        7.0578457270        9.2795889549
 Pt         5.4092317117        8.0888524625       -0.0696449552
 Pt         5.6778806124        7.9166384943        6.9239758041
 Pt         4.2082041305        8.7674595531        4.5852888616
 Pt         6.8946532134        7.2237874586        2.2494733414
 Pt         7.1769385850        7.0585525388        9.2154783136
 Pt         8.1819891334        8.0881554217       -0.0891094979
 Pt         8.4575503583        7.9177032821        6.8692457441
 Pt         6.9772097155        8.7657922154        4.5667177744
 Pt         9.6720144642        7.2235796871        2.2203920630
 Pt         9.9362380108        7.0574757084        9.1890447792
 Pt        10.9581506666        8.0922227651       -0.1113196643
 Pt        11.2320979389        7.9146463289        6.8570758351
 Pt         9.7571469479        8.7717742140        4.5420972488
 Pt        -5.5900295495        9.6281788512        2.2178581417
 Pt        -5.3244648373        9.4598269630        9.1896127955
 Pt        -4.3045456979       10.4939155100       -0.1105260422
 Pt        -4.0293124311       10.3183966379        6.8583044922
 Pt        -5.5009436631       11.1731371726        4.5424940248
 Pt        -2.8143448838        9.6297811238        2.2122708209
 Pt        -2.5538050862        9.4599577676        9.1891381358
 Pt        -1.5300135677       10.4941178361       -0.1225777405
 Pt        -1.2576229959       10.3199700700        6.8575399687
 Pt        -2.7251580156       11.1734302604        4.5348854379
 Pt        -0.0426032677        9.6292068274        2.2169540861
 Pt         0.2182626042        9.4623781836        9.1946465288
 Pt         1.2465019768       10.4914799472       -0.1042052709
 Pt         1.5150169687       10.3216884863        6.8662051985
 Pt         0.0494922785       11.1719114330        4.5369769102
 Pt         2.7314012932        9.6283172687        2.2417872637
 Pt         2.9914452422        9.4803029197        9.2059748094
 Pt         4.0207653877       10.4898572917       -0.0854665352
 Pt         4.2946294050       10.3229477723        6.8890762348
 Pt         2.8224995979       11.1743588925        4.5541774451
 Pt         5.5065397035        9.6271523121        2.2546452102
 Pt         5.7824120210        9.4803499841        9.2206663642
 Pt         6.7940436968       10.4926971335       -0.0794169925
 Pt         7.0711462638       10.3216628034        6.8768425295
 Pt         5.5933023102       11.1735879697        4.5677835289
 Pt         8.2844723833        9.6271647565        2.2325830902
 Pt         8.5509919157        9.4619037640        9.2052971338
 Pt         9.5693128435       10.4944357896       -0.1071989085
 Pt         9.8448915932       10.3188359939        6.8673882152
 Pt         8.3709955247       11.1723225180        4.5547078333
 Pt        -6.9782390488       12.0295635473        2.2288821112
 Pt        -6.7115341990       11.8651168143        9.1957572405
 Pt        -5.6928305615       12.8972230622       -0.1015074805
 Pt        -5.4153198054       12.7223277158        6.8650368773
 Pt        -6.8875877783       13.5764963257        4.5523399291
 Pt        -4.2033297772       12.0322003558        2.2189015308
 Pt        -3.9380395181       11.8631467173        9.1880718755
 Pt        -2.9167653681       12.8969186111       -0.1115833026
 Pt        -2.6411932469       12.7220910794        6.8583515892
 Pt        -4.1127354331       13.5774177544        4.5424431823
 Pt        -1.4286045898       12.0304117373        2.2126227212
 Pt        -1.1652193008       11.8636329884        9.1904189750
 Pt        -0.1428524085       12.8954821178       -0.1148191578
 Pt         0.1313004638       12.7222303592        6.8590506832
 Pt        -1.3385313374       13.5769181680        4.5342443166
 Pt         1.3463760497       12.0307607402        2.2203234654
 Pt         1.6086182484       11.8673532593        9.1959821791
 Pt         2.6331392362       12.8965098161       -0.1066448409
 Pt         2.9059336458       12.7227206873        6.8711015470
 Pt         1.4346929914       13.5767717016        4.5375398311
 Pt         4.1202915262       12.0315526682        2.2363466971
 Pt         4.3869141770       11.8703457484        9.2174207820
 Pt         5.4087585931       12.8954913393       -0.0929289189
 Pt         5.6805681603       12.7248761634        6.8832317570
 Pt         4.2088525897       13.5764755379        4.5529553299
 Pt         6.8950316372       12.0312733618        2.2430311498
 Pt         7.1641604375       11.8658434048        9.2096184396
 Pt         8.1824551523       12.8958530545       -0.0906718382
 Pt         8.4565992351       12.7248832003        6.8770504417
 Pt         6.9846129319       13.5755884842        4.5616113493
  O         4.3432739114        7.1501046008       11.6233301631
  H         5.2444128405        7.5051202899       11.7690176221
  H         4.4027478240        6.2074334744       11.8789109644
     183
 i =       73, E =    -21650.0185356568
 Pt        -0.0457002287        0.0175186749        2.2356285117
 Pt         0.2289209116       -0.1512720452        9.2064160868
 Pt         1.2437111266        0.8819169199       -0.0935867691
 Pt         1.5193548506        0.7083599601        6.8737713048
 Pt         0.0475935595        1.5625525074        4.5600829877
 Pt         2.7319091512        0.0183740309        2.2259640121
 Pt         3.0020900885       -0.1525375110        9.1927207940
 Pt         4.0159848431        0.8808107234       -0.1102238415
 Pt         4.2973777725        0.7082005856        6.8651162303
 Pt         2.8230014801        1.5644066603        4.5543179148
 Pt         5.5067008897        0.0173433612        2.2142577074
 Pt         5.7776018804       -0.1540341698        9.1873234957
 Pt         6.7907609522        0.8801331658       -0.1144835504
 Pt         7.0727135867        0.7058617472        6.8542856113
 Pt         5.5954081370        1.5641856559        4.5401484148
 Pt         8.2828576297        0.0161873997        2.2098743405
 Pt         8.5520544905       -0.1528036327        9.1872692272
 Pt         9.5663967658        0.8824176265       -0.1181333584
 Pt         9.8451277091        0.7053369960        6.8545592915
 Pt         8.3712604582        1.5628248930        4.5309393681
 Pt        11.0558003593        0.0178970003        2.2165091023
 Pt        11.3273254463       -0.1501178185        9.1993408203
 Pt        12.3422237796        0.8811832345       -0.1121667294
 Pt        12.6177608510        0.7075826797        6.8715759411
 Pt        11.1470311739        1.5626687695        4.5382804069
 Pt        13.8280794236        0.0179603381        2.2310334794
 Pt        14.1021260899       -0.1489339956        9.2109260937
 Pt        15.1172485115        0.8814588882       -0.0971599471
 Pt        15.3914330864        0.7093805890        6.8773509144
 Pt        13.9201358230        1.5612619036        4.5519892183
 Pt        -1.4317498227        2.4190722812        2.2326376677
 Pt        -1.1608099833        2.2484809735        9.2100047172
 Pt        -0.1420548897        3.2839860993       -0.0961572544
 Pt         0.1309098660        3.1114634019        6.8836234072
 Pt        -1.3414219002        3.9647823038        4.5530421890
 Pt         1.3428992991        2.4189929828        2.2425731085
 Pt         1.6161470574        2.2485288751        9.2085255692
 Pt         2.6304361119        3.2853108260       -0.0797704218
 Pt         2.9080593065        3.1110609765        6.8807520330
 Pt         1.4322736261        3.9678130359        4.5706213147
 Pt         4.1198263456        2.4180095534        2.2317580071
 Pt         4.3906201129        2.2491239542        9.2062196002
 Pt         5.4048453269        3.2854211936       -0.0903890740
 Pt         5.6827791622        3.1099315903        6.8698119100
 Pt         4.2095271531        3.9737359958        4.5698188689
 Pt         6.8961117622        2.4198785803        2.2187509693
 Pt         7.1635949907        2.2475703482        9.1867462668
 Pt         8.1776766510        3.2864120764       -0.1149286450
 Pt         8.4589741177        3.1095865791        6.8555467855
 Pt         6.9853071598        3.9660490873        4.5488615045
 Pt         9.6696758846        2.4192871633        2.2109485524
 Pt         9.9399104122        2.2481179807        9.1838927194
 Pt        10.9531390061        3.2849286902       -0.1191543774
 Pt        11.2330070070        3.1095663135        6.8579562692
 Pt         9.7604538108        3.9653328325        4.5320116683
 Pt        12.4432556485        2.4196031726        2.2169452056
 Pt        12.7147299683        2.2498056746        9.2001967378
 Pt        13.7308007018        3.2843093727       -0.1097972909
 Pt        14.0053246522        3.1114152508        6.8710629281
 Pt        12.5337493584        3.9631147627        4.5391990231
 Pt        -2.8166290909        4.8214917079        2.2188247494
 Pt        -2.5475749435        4.6515657865        9.1975043943
 Pt        -1.5306973127        5.6868337719       -0.1091497137
 Pt        -1.2539535067        5.5135311378        6.8702317834
 Pt        -2.7272723076        6.3684885324        4.5358878642
 Pt        -0.0441701490        4.8206776636        2.2347958484
 Pt         0.2251958051        4.6504118479        9.2179779980
 Pt         1.2465710027        5.6876322902       -0.0864806525
 Pt         1.5184062618        5.5127831457        6.8933588390
 Pt         0.0458224487        6.3666723522        4.5534655652
 Pt         2.7304964144        4.8221716235        2.2568267011
 Pt         2.9929609650        4.6400564095        9.2292080309
 Pt         4.0188792198        5.6856881659       -0.0690948088
 Pt         4.2940088923        5.5194910370        6.9278192104
 Pt         2.8223901662        6.3693756949        4.5876036664
 Pt         5.5058692253        4.8226233621        2.2503633615
 Pt         5.7861104243        4.6424118572        9.2169855508
 Pt         6.7897124702        5.6882200886       -0.0880469887
 Pt         7.0687367098        5.5149295641        6.8807758716
 Pt         5.5932867189        6.3690311527        4.5900031563
 Pt         8.2824264888        4.8222713428        2.2205178727
 Pt         8.5533840551        4.6512090352        9.1888592148
 Pt         9.5645202980        5.6878079427       -0.1141872356
 Pt         9.8458561687        5.5129669752        6.8565541169
 Pt         8.3713495643        6.3668600842        4.5483190023
 Pt        11.0578264147        4.8221429937        2.2108171280
 Pt        11.3269177102        4.6507118762        9.1855729222
 Pt        12.3416246653        5.6877134604       -0.1157665510
 Pt        12.6205110243        5.5137931752        6.8552497329
 Pt        11.1466399711        6.3689206910        4.5315315259
 Pt        -4.2023092277        7.2250102903        2.2097412369
 Pt        -3.9346973205        7.0542053656        9.1872998907
 Pt        -2.9197206857        8.0919062395       -0.1197203214
 Pt        -2.6411637766        7.9159461342        6.8556036019
 Pt        -4.1135335002        8.7715051369        4.5306025458
 Pt        -1.4300944610        7.2249811631        2.2160163578
 Pt        -1.1634029708        7.0561290476        9.1922349920
 Pt        -0.1433470478        8.0891834634       -0.1090452514
 Pt         0.1302271644        7.9181139576        6.8648101879
 Pt        -1.3376311316        8.7709197617        4.5322106975
 Pt         1.3414191562        7.2248331932        2.2405583456
 Pt         1.5980562665        7.0556709073        9.2092783026
 Pt         2.6318389160        8.0883555990       -0.0818963390
 Pt         2.9039131458        7.9206256348        6.9091885057
 Pt         1.4380826741        8.7676599251        4.5521798537
 Pt         4.1148343816        7.2261806238        2.2627452135
 Pt         4.3870147200        7.0599619868        9.2782204175
 Pt         5.4060935320        8.0883278182       -0.0696583500
 Pt         5.6797862977        7.9168083509        6.9231526612
 Pt         4.2068823891        8.7680405532        4.5850214697
 Pt         6.8923910480        7.2244030964        2.2494694398
 Pt         7.1826434668        7.0587358119        9.2125495659
 Pt         8.1786704627        8.0881947698       -0.0900317062
 Pt         8.4607406975        7.9177388814        6.8684301160
 Pt         6.9766052438        8.7663323400        4.5664367868
 Pt         9.6702372765        7.2244182955        2.2192249909
 Pt         9.9418626118        7.0562680625        9.1892847792
 Pt        10.9547779618        8.0922950652       -0.1141117232
 Pt        11.2345883711        7.9146114933        6.8561043762
 Pt         9.7567130636        8.7721047155        4.5409201483
 Pt        -5.5919665750        9.6287181962        2.2149089563
 Pt        -5.3198376248        9.4592005725        9.1886126495
 Pt        -4.3078580223       10.4939023178       -0.1145569370
 Pt        -4.0270899761       10.3177550457        6.8556213716
 Pt        -5.5013886523       11.1734974120        4.5397512861
 Pt        -2.8167754356        9.6295497825        2.2074527211
 Pt        -2.5495761339        9.4586788483        9.1862318060
 Pt        -1.5328001439       10.4936487871       -0.1266335180
 Pt        -1.2556050109       10.3190897345        6.8547164771
 Pt        -2.7256080857       11.1737707726        4.5307828082
 Pt        -0.0454128591        9.6291861083        2.2131369312
 Pt         0.2225032261        9.4616789166        9.1930642234
 Pt         1.2436653144       10.4908507148       -0.1063665928
 Pt         1.5169538840       10.3215958078        6.8652580685
 Pt         0.0489127100       11.1725150566        4.5339373458
 Pt         2.7281330701        9.6287951531        2.2418845384
 Pt         2.9966119712        9.4811633977        9.2054842473
 Pt         4.0177520591       10.4893524548       -0.0845873163
 Pt         4.2961283955       10.3238113373        6.8892179030
 Pt         2.8212150583       11.1752511184        4.5534380354
 Pt         5.5037554838        9.6279303673        2.2547425399
 Pt         5.7879967669        9.4813965790        9.2203760236
 Pt         6.7909846482       10.4924477816       -0.0798742719
 Pt         7.0734430056       10.3218817925        6.8765922878
 Pt         5.5921719116       11.1743134321        4.5674684517
 Pt         8.2820649675        9.6280096239        2.2313885257
 Pt         8.5562030709        9.4617623299        9.2050528529
 Pt         9.5658272684       10.4942548825       -0.1093349766
 Pt         9.8475701041       10.3186849916        6.8660671985
 Pt         8.3703035447       11.1728563670        4.5532790410
 Pt        -6.9810231542       12.0304375773        2.2259558269
 Pt        -6.7073315192       11.8651717140        9.1940339201
 Pt        -5.6957545089       12.8970666436       -0.1048001043
 Pt        -5.4130412016       12.7215623229        6.8620729021
 Pt        -6.8883357608       13.5769686139        4.5494039874
 Pt        -4.2056445632       12.0324617863        2.2152032562
 Pt        -3.9341775525       11.8622326512        9.1861436925
 Pt        -2.9198340620       12.8968314148       -0.1156787390
 Pt        -2.6392231723       12.7208311518        6.8561815175
 Pt        -4.1132017448       13.5776294554        4.5393041267
 Pt        -1.4308660222       12.0304735518        2.2089084208
 Pt        -1.1616994214       11.8620014206        9.1886797862
 Pt        -0.1460718447       12.8953002787       -0.1180570891
 Pt         0.1331403118       12.7213058779        6.8573582062
 Pt        -1.3392732704       13.5770627745        4.5315194834
 Pt         1.3436268566       12.0314247670        2.2175499206
 Pt         1.6125598617       11.8667147431        9.1954168900
 Pt         2.6302307329       12.8960079184       -0.1089190510
 Pt         2.9077989818       12.7227948446        6.8707407849
 Pt         1.4338990743       13.5776108809        4.5353007248
 Pt         4.1166947479       12.0328296330        2.2352661343
 Pt         4.3914096559       11.8706274903        9.2185666605
 Pt         5.4059097908       12.8952250795       -0.0940062102
 Pt         5.6821467068       12.7251236108        6.8826693570
 Pt         4.2077060411       13.5773343910        4.5517956720
 Pt         6.8918368538       12.0323674362        2.2417126802
 Pt         7.1685811240       11.8662837395        9.2089476573
 Pt         8.1794829573       12.8957965809       -0.0934122870
 Pt         8.4586141683       12.7248425654        6.8749034844
 Pt         6.9835038167       13.5762633294        4.5594844581
  O         4.3455288704        7.1502506466       11.6230984289
  H         5.2425153193        7.5062281730       11.7794615507
  H         4.3965532494        6.2094500992       11.8885819464
     183
 i =       74, E =    -21650.0186010935
 Pt        -0.0497517361        0.0181498953        2.2324275747
 Pt         0.2334299466       -0.1500608590        9.2031650374
 Pt         1.2404200582        0.8809759895       -0.0969328686
 Pt         1.5211147667        0.7088574929        6.8707824907
 Pt         0.0458357143        1.5628989894        4.5581814105
 Pt         2.7286282222        0.0185682260        2.2222017456
 Pt         3.0064104848       -0.1523678153        9.1890235846
 Pt         4.0126586545        0.8802181239       -0.1140745351
 Pt         4.2992871236        0.7078369708        6.8612977451
 Pt         2.8213401227        1.5647965617        4.5512173879
 Pt         5.5040321518        0.0172043769        2.2101444944
 Pt         5.7815807346       -0.1546351189        9.1848574434
 Pt         6.7872884855        0.8796836640       -0.1181462681
 Pt         7.0738453555        0.7054001836        6.8521172592
 Pt         5.5938767412        1.5647627434        4.5366269594
 Pt         8.2802745770        0.0165789237        2.2070667109
 Pt         8.5558710798       -0.1535317618        9.1860366239
 Pt         9.5629187307        0.8819026356       -0.1200338238
 Pt         9.8459832034        0.7054249602        6.8537090646
 Pt         8.3696988728        1.5632287542        4.5293805669
 Pt        11.0528701119        0.0189747203        2.2145509118
 Pt        11.3313412114       -0.1503113131        9.1991001600
 Pt        12.3382061714        0.8806159250       -0.1153803904
 Pt        12.6184593794        0.7082620310        6.8706095989
 Pt        11.1456088410        1.5638363379        4.5372137574
 Pt        13.8245268616        0.0186957651        2.2282584461
 Pt        14.1066337799       -0.1484064118        9.2095330764
 Pt        15.1136522319        0.8806516204       -0.1010006409
 Pt        15.3925000659        0.7100365257        6.8754705244
 Pt        13.9185999454        1.5620121469        4.5499066929
 Pt        -1.4359030248        2.4193052211        2.2291803221
 Pt        -1.1559755769        2.2491690313        9.2087736560
 Pt        -0.1452062475        3.2827049475       -0.0993583401
 Pt         0.1322502112        3.1118130524        6.8825287405
 Pt        -1.3429507324        3.9649515516        4.5508548359
 Pt         1.3380734212        2.4192631960        2.2400232780
 Pt         1.6210026592        2.2494969401        9.2062700283
 Pt         2.6277821087        3.2843469207       -0.0812954958
 Pt         2.9099801756        3.1113094107        6.8788097522
 Pt         1.4307059845        3.9678960704        4.5695256807
 Pt         4.1160246247        2.4180054795        2.2288682028
 Pt         4.3951027955        2.2495038798        9.2029607606
 Pt         5.4026129522        3.2851889822       -0.0925280646
 Pt         5.6846764267        3.1099603902        6.8672214213
 Pt         4.2079163254        3.9739984126        4.5675856094
 Pt         6.8935545538        2.4196702448        2.2163330328
 Pt         7.1680147835        2.2471770949        9.1845984912
 Pt         8.1746670284        3.2859428151       -0.1172439667
 Pt         8.4604663269        3.1095604819        6.8543018697
 Pt         6.9838091853        3.9664977298        4.5466414899
 Pt         9.6669606678        2.4198247507        2.2095945741
 Pt         9.9446381613        2.2475052783        9.1835774188
 Pt        10.9497091975        3.2841769284       -0.1204959250
 Pt        11.2341120115        3.1100578283        6.8576265666
 Pt         9.7588403540        3.9660615080        4.5310393306
 Pt        12.4401534223        2.4202076564        2.2146069895
 Pt        12.7194167634        2.2494812671        9.1998236258
 Pt        13.7270898034        3.2834594570       -0.1141513955
 Pt        14.0061753075        3.1116063384        6.8697366906
 Pt        12.5323637574        3.9641118914        4.5378650681
 Pt        -2.8200285056        4.8212821952        2.2153958089
 Pt        -2.5421437817        4.6514705324        9.1961839298
 Pt        -1.5342913455        5.6859125222       -0.1132600177
 Pt        -1.2525607702        5.5133136450        6.8682120770
 Pt        -2.7285526874        6.3692791105        4.5329698149
 Pt        -0.0488066614        4.8206802528        2.2319420188
 Pt         0.2302096042        4.6511644224        9.2174524067
 Pt         1.2438519377        5.6862639669       -0.0876960873
 Pt         1.5202938070        5.5130225225        6.8926473894
 Pt         0.0442732464        6.3665852472        4.5513334777
 Pt         2.7261869409        4.8223281788        2.2553710973
 Pt         2.9982754809        4.6411990061        9.2279320204
 Pt         4.0162476879        5.6848953894       -0.0700132085
 Pt         4.2959889572        5.5199402296        6.9259424086
 Pt         2.8208302848        6.3695876714        4.5864965716
 Pt         5.5023086901        4.8226263230        2.2485454376
 Pt         5.7906508769        4.6431511462        9.2145225030
 Pt         6.7865535194        5.6879170152       -0.0897151872
 Pt         7.0708271754        5.5152493639        6.8785734425
 Pt         5.5919292021        6.3697543704        4.5881396721
 Pt         8.2798740435        4.8222950632        2.2187400015
 Pt         8.5587359693        4.6510682690        9.1872412706
 Pt         9.5611422138        5.6871705268       -0.1154979365
 Pt         9.8480099960        5.5135045088        6.8553852885
 Pt         8.3700623515        6.3675793082        4.5460265913
 Pt        11.0552672144        4.8225944802        2.2092609022
 Pt        11.3327233749        4.6501794162        9.1854721783
 Pt        12.3378992562        5.6871501364       -0.1192421409
 Pt        12.6222277215        5.5141168952        6.8540185624
 Pt        11.1453872048        6.3697577210        4.5300388065
 Pt        -4.2048857438        7.2249332847        2.2065623934
 Pt        -3.9290673818        7.0536703980        9.1855360810
 Pt        -2.9232390716        8.0910008987       -0.1241514322
 Pt        -2.6392306160        7.9160314136        6.8526643246
 Pt        -4.1146541414        8.7724482451        4.5274064422
 Pt        -1.4334578757        7.2247644964        2.2121540266
 Pt        -1.1581189619        7.0562554490        9.1900197314
 Pt        -0.1463305231        8.0884360919       -0.1123916580
 Pt         0.1318699087        7.9178947882        6.8625368516
 Pt        -1.3389123732        8.7714924026        4.5286320841
 Pt         1.3372269109        7.2249887533        2.2388086378
 Pt         1.6028260159        7.0561772155        9.2084232469
 Pt         2.6292979901        8.0874605928       -0.0819974026
 Pt         2.9057018125        7.9212893575        6.9086053173
 Pt         1.4365879354        8.7678453499        4.5509517396
 Pt         4.1110549987        7.2263577723        2.2620643338
 Pt         4.3928459651        7.0618182369        9.2778336464
 Pt         5.4032833342        8.0874277494       -0.0704244676
 Pt         5.6816089943        7.9176625808        6.9219280986
 Pt         4.2056111466        8.7687245462        4.5845075951
 Pt         6.8891921955        7.2245970423        2.2477959591
 Pt         7.1878833951        7.0592606175        9.2095449935
 Pt         8.1754635248        8.0876104137       -0.0917035973
 Pt         8.4632323046        7.9181476404        6.8658310370
 Pt         6.9754361034        8.7672509232        4.5649473301
 Pt         9.6680371631        7.2250149870        2.2172806144
 Pt         9.9476224051        7.0560096161        9.1876691433
 Pt        10.9510255092        8.0917374282       -0.1174614465
 Pt        11.2370565124        7.9153048168        6.8540764708
 Pt         9.7557291551        8.7730619287        4.5381355357
 Pt        -5.5943841765        9.6292301987        2.2112515020
 Pt        -5.3147292194        9.4589558157        9.1862715338
 Pt        -4.3115220227       10.4934307887       -0.1196212313
 Pt        -4.0251440223       10.3181523185        6.8521321058
 Pt        -5.5024343210       11.1745366430        4.5359103414
 Pt        -2.8196011390        9.6294333572        2.2027743263
 Pt        -2.5449005622        9.4580750131        9.1825638199
 Pt        -1.5360068899       10.4930936374       -0.1307134997
 Pt        -1.2538224964       10.3191194595        6.8511818821
 Pt        -2.7265313591       11.1746186796        4.5266407856
 Pt        -0.0486366449        9.6295996685        2.2096025072
 Pt         0.2271369184        9.4620148782        9.1910008797
 Pt         1.2410139995       10.4904532697       -0.1089253404
 Pt         1.5186735655       10.3219120587        6.8639028451
 Pt         0.0481460934       11.1732802796        4.5307145743
 Pt         2.7245553867        9.6291859641        2.2413653064
 Pt         3.0014474401        9.4821195700        9.2053203632
 Pt         4.0152215775       10.4883128672       -0.0849290193
 Pt         4.2980843476       10.3247407645        6.8890832171
 Pt         2.8200908804       11.1760122399        4.5526590990
 Pt         5.5000921331        9.6282867785        2.2536911566
 Pt         5.7928819126        9.4830279813        9.2196117352
 Pt         6.7878228404       10.4917143378       -0.0808881718
 Pt         7.0753620793       10.3226788448        6.8751166621
 Pt         5.5908341517       11.1750757799        4.5664921826
 Pt         8.2786717135        9.6286560058        2.2293639899
 Pt         8.5611886655        9.4622206019        9.2025020295
 Pt         9.5621796070       10.4936874709       -0.1117577687
 Pt         9.8497430234       10.3192283163        6.8631536899
 Pt         8.3689361635       11.1736798313        4.5506775599
 Pt        -6.9840136970       12.0311428645        2.2226599363
 Pt        -6.7027760927       11.8655334431        9.1912041536
 Pt        -5.6991169104       12.8964755748       -0.1089799788
 Pt        -5.4114404054       12.7218747086        6.8588105985
 Pt        -6.8898008340       13.5774852508        4.5458654109
 Pt        -4.2081963960       12.0325821210        2.2104784534
 Pt        -3.9299514680       11.8617596195        9.1833526594
 Pt        -2.9236296507       12.8963458838       -0.1208512788
 Pt        -2.6378929342       12.7205475218        6.8529413149
 Pt        -4.1145065407       13.5783634481        4.5349887811
 Pt        -1.4334979812       12.0308206517        2.2046274290
 Pt        -1.1579132329       11.8612713107        9.1860664617
 Pt        -0.1493771240       12.8949884491       -0.1218864743
 Pt         0.1344638040       12.7212232362        6.8553030297
 Pt        -1.3405226843       13.5774920810        4.5285525010
 Pt         1.3406478204       12.0322303422        2.2147698265
 Pt         1.6166915986       11.8668722909        9.1948614403
 Pt         2.6269400640       12.8955384538       -0.1111989800
 Pt         2.9091222567       12.7233705197        6.8700675030
 Pt         1.4326910364       13.5784238391        4.5333286458
 Pt         4.1131555387       12.0336024907        2.2340810965
 Pt         4.3957536366       11.8716952887        9.2184219232
 Pt         5.4026838677       12.8942805858       -0.0961191913
 Pt         5.6836040711       12.7260407598        6.8815574419
 Pt         4.2063151787       13.5784054388        4.5506185268
 Pt         6.8878139934       12.0331179237        2.2395886448
 Pt         7.1734021278       11.8674487978        9.2067564196
 Pt         8.1760639940       12.8952038548       -0.0960150521
 Pt         8.4603778215       12.7254439946        6.8720984539
 Pt         6.9818697268       13.5768764948        4.5573885318
  O         4.3480054674        7.1485972184       11.6244367224
  H         5.2419795391        7.5069327311       11.7944040429
  H         4.3917723994        6.2100992343       11.8954120345
     183
 i =       75, E =    -21650.0186774659
 Pt        -0.0537236183        0.0184477587        2.2298439586
 Pt         0.2390407872       -0.1499591613        9.2005633280
 Pt         1.2358676196        0.8807587556       -0.0996878093
 Pt         1.5233051042        0.7087051389        6.8683804781
 Pt         0.0437660419        1.5628051905        4.5560232518
 Pt         2.7251951621        0.0188488821        2.2192375534
 Pt         3.0120301674       -0.1534847571        9.1863233943
 Pt         4.0089019978        0.8801357093       -0.1162577217
 Pt         4.3012023305        0.7077030968        6.8585501355
 Pt         2.8191650907        1.5649836978        4.5483734571
 Pt         5.5011026654        0.0173335189        2.2072713132
 Pt         5.7866589587       -0.1561478138        9.1830831776
 Pt         6.7836513089        0.8795861560       -0.1198835725
 Pt         7.0749419054        0.7053141118        6.8510943167
 Pt         5.5918342025        1.5654363367        4.5339938811
 Pt         8.2774679608        0.0170466768        2.2056359109
 Pt         8.5605081066       -0.1542742144        9.1857010244
 Pt         9.5588265511        0.8817556014       -0.1209989690
 Pt         9.8468780614        0.7059055338        6.8531835069
 Pt         8.3678749952        1.5635771832        4.5289236272
 Pt        11.0501410177        0.0197852005        2.2133449554
 Pt        11.3360606681       -0.1504187790        9.1977770666
 Pt        12.3335623888        0.8802203926       -0.1178748055
 Pt        12.6194849981        0.7091624455        6.8686236261
 Pt        11.1443833740        1.5651980283        4.5362779948
 Pt        13.8210525381        0.0190240601        2.2259358330
 Pt        14.1120673745       -0.1483162515        9.2067943762
 Pt        15.1086135920        0.8803399060       -0.1045651999
 Pt        15.3942175628        0.7104563842        6.8732506350
 Pt        13.9171691845        1.5629420023        4.5476431275
 Pt        -1.4401378734        2.4194940411        2.2256549263
 Pt        -1.1503955077        2.2491579950        9.2071471925
 Pt        -0.1499206291        3.2822404633       -0.1029031274
 Pt         0.1341542823        3.1114161982        6.8809202242
 Pt        -1.3444713515        3.9651110260        4.5480916239
 Pt         1.3334017608        2.4193190308        2.2376122174
 Pt         1.6265216815        2.2494174249        9.2037385730
 Pt         2.6241266130        3.2839997142       -0.0817603614
 Pt         2.9122768740        3.1108988264        6.8764910814
 Pt         1.4287075959        3.9675820472        4.5677850403
 Pt         4.1125002760        2.4179586977        2.2271759397
 Pt         4.4003613609        2.2489927194        9.1992969095
 Pt         5.4002421577        3.2854438152       -0.0925674943
 Pt         5.6869469804        3.1099430213        6.8650469680
 Pt         4.2056393139        3.9742322820        4.5658006931
 Pt         6.8906996909        2.4195545945        2.2153159295
 Pt         7.1732954641        2.2463715801        9.1832054031
 Pt         8.1716290616        3.2856659598       -0.1179891509
 Pt         8.4617867255        3.1098317273        6.8536096109
 Pt         6.9818547452        3.9670694528        4.5454727052
 Pt         9.6643347665        2.4204351740        2.2094894336
 Pt         9.9499012827        2.2470254619        9.1831392898
 Pt        10.9457985027        3.2838472771       -0.1213410231
 Pt        11.2353053425        3.1108962368        6.8570985495
 Pt         9.7571257791        3.9669412018        4.5309985008
 Pt        12.4371716853        2.4208231791        2.2124808875
 Pt        12.7246839545        2.2489007546        9.1984076033
 Pt        13.7216686612        3.2831618596       -0.1195319119
 Pt        14.0074643368        3.1118304245        6.8677807665
 Pt        12.5311974071        3.9656863643        4.5363069880
 Pt        -2.8238589253        4.8214738295        2.2116579970
 Pt        -2.5362625066        4.6504841629        9.1949874372
 Pt        -1.5396728337        5.6857026683       -0.1183491850
 Pt        -1.2507150845        5.5124249755        6.8657827101
 Pt        -2.7300509723        6.3700219640        4.5305804942
 Pt        -0.0536281586        4.8207147735        2.2288779003
 Pt         0.2352656082        4.6509021129        9.2164463089
 Pt         1.2400818414        5.6856760462       -0.0890486189
 Pt         1.5225754038        5.5122722879        6.8910093983
 Pt         0.0426122740        6.3661391147        4.5488873810
 Pt         2.7213886736        4.8222851392        2.2543742694
 Pt         3.0037548511        4.6412293493        9.2257245525
 Pt         4.0131155303        5.6846001207       -0.0694705791
 Pt         4.2982929473        5.5201841678        6.9252885345
 Pt         2.8190637672        6.3696174808        4.5855510530
 Pt         5.4987909638        4.8224910913        2.2479354891
 Pt         5.7959564499        4.6425123742        9.2131203514
 Pt         6.7828012995        5.6877752950       -0.0903457495
 Pt         7.0727658664        5.5157977410        6.8776242537
 Pt         5.5900452293        6.3703938903        4.5875794586
 Pt         8.2769374044        4.8221904423        2.2185729929
 Pt         8.5648478529        4.6508054736        9.1860341436
 Pt         9.5575286990        5.6865646099       -0.1157125433
 Pt         9.8502318954        5.5140893289        6.8543320161
 Pt         8.3683578897        6.3683853031        4.5446266174
 Pt        11.0523842957        4.8232794924        2.2087022353
 Pt        11.3392786504        4.6493993483        9.1848663586
 Pt        12.3333916923        5.6867487499       -0.1226214539
 Pt        12.6243549016        5.5145626297        6.8529512634
 Pt        11.1438530208        6.3710566570        4.5292742941
 Pt        -4.2081945965        7.2250610557        2.2043030234
 Pt        -3.9224723004        7.0523146054        9.1842055674
 Pt        -2.9275511163        8.0904872397       -0.1272589055
 Pt        -2.6369366196        7.9159495271        6.8500137969
 Pt        -4.1161218078        8.7736397424        4.5250927639
 Pt        -1.4373353756        7.2249758977        2.2088874673
 Pt        -1.1521743012        7.0553236890        9.1879533755
 Pt        -0.1505133462        8.0885409197       -0.1154300950
 Pt         0.1339908997        7.9171317558        6.8596788824
 Pt        -1.3402810307        8.7718829503        4.5257879385
 Pt         1.3330317203        7.2252705054        2.2369884578
 Pt         1.6075037496        7.0554712213        9.2064030371
 Pt         2.6259133874        8.0872765395       -0.0822873043
 Pt         2.9078416147        7.9211220156        6.9080890395
 Pt         1.4351671260        8.7677780982        4.5492091431
 Pt         4.1068022437        7.2263506159        2.2621633951
 Pt         4.3992198803        7.0621557643        9.2785434983
 Pt         5.3998130009        8.0867875704       -0.0701770197
 Pt         5.6837418008        7.9183936824        6.9216777466
 Pt         4.2041016465        8.7691273853        4.5845131766
 Pt         6.8855436420        7.2241796750        2.2471297034
 Pt         7.1935379524        7.0589517301        9.2084432709
 Pt         8.1714170395        8.0871534541       -0.0919893542
 Pt         8.4654547323        7.9183885683        6.8634958672
 Pt         6.9738324467        8.7679732651        4.5637178457
 Pt         9.6650656911        7.2252828040        2.2164397868
 Pt         9.9538981732        7.0554262889        9.1858718236
 Pt        10.9470424840        8.0911494962       -0.1189899170
 Pt        11.2396026830        7.9161376924        6.8523022896
 Pt         9.7544219651        8.7745413672        4.5354513547
 Pt        -5.5974718394        9.6296051116        2.2086741918
 Pt        -5.3085986743        9.4576538788        9.1839561648
 Pt        -4.3153791055       10.4929390286       -0.1227898040
 Pt        -4.0230994175       10.3188491137        6.8492990660
 Pt        -5.5036381645       11.1760534106        4.5323397970
 Pt        -2.8228641756        9.6297061798        2.1995887240
 Pt        -2.5387676068        9.4567604229        9.1780758012
 Pt        -1.5400025595       10.4932937461       -0.1336752184
 Pt        -1.2514857218       10.3193301892        6.8475831973
 Pt        -2.7278310008       11.1754813403        4.5232901053
 Pt        -0.0521194847        9.6303523338        2.2069387433
 Pt         0.2330148409        9.4616317731        9.1878471485
 Pt         1.2374183460       10.4909748092       -0.1114100670
 Pt         1.5210989282       10.3217871906        6.8617175719
 Pt         0.0470750257       11.1737161502        4.5281889379
 Pt         2.7210418821        9.6298149003        2.2404303757
 Pt         3.0067326160        9.4822052939        9.2047851206
 Pt         4.0119260748       10.4879089479       -0.0859105877
 Pt         4.3003995195       10.3251575106        6.8888764114
 Pt         2.8190509234       11.1764949608        4.5517540979
 Pt         5.4962442589        9.6282274475        2.2532145283
 Pt         5.7980934613        9.4836389448        9.2192071325
 Pt         6.7835491903       10.4913443046       -0.0815071569
 Pt         7.0772194017       10.3230482151        6.8734326894
 Pt         5.5892483563       11.1754790563        4.5654511099
 Pt         8.2751083542        9.6287270801        2.2280365435
 Pt         8.5666728230        9.4617509328        9.1994742904
 Pt         9.5580166381       10.4933905968       -0.1127453548
 Pt         9.8517206585       10.3197418049        6.8603556169
 Pt         8.3671973506       11.1742591345        4.5482300643
 Pt        -6.9874432089       12.0315927277        2.2201032808
 Pt        -6.6971223110       11.8644156444        9.1888339464
 Pt        -5.7038216214       12.8965678692       -0.1124559736
 Pt        -5.4097163901       12.7220545102        6.8562193293
 Pt        -6.8916809831       13.5777375243        4.5428192235
 Pt        -4.2110832427       12.0327405480        2.2067054366
 Pt        -3.9244970164       11.8601552130        9.1804778990
 Pt        -2.9277183658       12.8962546943       -0.1240361539
 Pt        -2.6364188705       12.7206866646        6.8504646387
 Pt        -4.1161074553       13.5791322228        4.5314193906
 Pt        -1.4364734200       12.0315022706        2.2014280496
 Pt        -1.1527274036       11.8601616453        9.1833714467
 Pt        -0.1533416427       12.8953842184       -0.1247322803
 Pt         0.1361251049       12.7214763970        6.8534552396
 Pt        -1.3419743140       13.5780465277        4.5265925711
 Pt         1.3377170231       12.0331401368        2.2126568661
 Pt         1.6218947036       11.8667005072        9.1933631700
 Pt         2.6225443539       12.8957942575       -0.1137164860
 Pt         2.9108289968       12.7239752939        6.8688527060
 Pt         1.4315291581       13.5789749292        4.5321133832
 Pt         4.1098227507       12.0341028221        2.2328197944
 Pt         4.4010000252       11.8722555765        9.2169251337
 Pt         5.3982458331       12.8938041713       -0.0987956550
 Pt         5.6854825086       12.7267642125        6.8797250100
 Pt         4.2049933180       13.5793699194        4.5491949756
 Pt         6.8839835547       12.0332478195        2.2376611718
 Pt         7.1791600167       11.8677376565        9.2037968262
 Pt         8.1714647069       12.8951264441       -0.0981501810
 Pt         8.4623479411       12.7258038564        6.8694334462
 Pt         6.9799735258       13.5771780809        4.5550444724
  O         4.3553671855        7.1483182876       11.6223706031
  H         5.2469588788        7.5079648369       11.8021699683
  H         4.3938015283        6.2104094033       11.8922642162
     183
 i =       76, E =    -21650.0187767858
 Pt        -0.0588887498        0.0190420351        2.2277353776
 Pt         0.2495422381       -0.1527863151        9.1989114616
 Pt         1.2275278131        0.8822560056       -0.1017001156
 Pt         1.5279385642        0.7069916923        6.8664004874
 Pt         0.0419638357        1.5622239312        4.5537336903
 Pt         2.7204457837        0.0194581939        2.2162818508
 Pt         3.0225923513       -0.1572464263        9.1842750008
 Pt         4.0020879545        0.8812848040       -0.1177268344
 Pt         4.3052223128        0.7066390236        6.8556779378
 Pt         2.8171421055        1.5647054115        4.5453712041
 Pt         5.4968415556        0.0181732338        2.2046833276
 Pt         5.7965691397       -0.1596261746        9.1804683076
 Pt         6.7770535161        0.8806182077       -0.1220385890
 Pt         7.0783646889        0.7044334250        6.8490244840
 Pt         5.5898491063        1.5656177081        4.5313464532
 Pt         8.2734152795        0.0179049489        2.2041795161
 Pt         8.5698868052       -0.1565062026        9.1853305377
 Pt         9.5515339395        0.8828181717       -0.1224698020
 Pt         9.8500208516        0.7052759683        6.8521208449
 Pt         8.3663975981        1.5636895491        4.5271981059
 Pt        11.0460987749        0.0204798542        2.2124824520
 Pt        11.3454215927       -0.1522157580        9.1958109163
 Pt        12.3260436692        0.8810522485       -0.1190775536
 Pt        12.6229941998        0.7088300784        6.8659211049
 Pt        11.1434636122        1.5658658426        4.5347600274
 Pt        13.8162874482        0.0192668140        2.2245294241
 Pt        14.1223402284       -0.1503834674        9.2033037651
 Pt        15.0995707141        0.8818644724       -0.1070513468
 Pt        15.3985158601        0.7096139157        6.8710420535
 Pt        13.9160531523        1.5635506520        4.5454517946
 Pt        -1.4454685448        2.4203404789        2.2229147410
 Pt        -1.1401130590        2.2468533363        9.2054050575
 Pt        -0.1583900997        3.2839718837       -0.1059444343
 Pt         0.1386851994        3.1094065897        6.8788160174
 Pt        -1.3456988625        3.9651127292        4.5450698675
 Pt         1.3279588016        2.4201234538        2.2352103290
 Pt         1.6365307562        2.2464448685        9.2011406506
 Pt         2.6164602281        3.2852469346       -0.0825349669
 Pt         2.9166656770        3.1092511329        6.8732833433
 Pt         1.4270116396        3.9669999133        4.5647425106
 Pt         4.1078538399        2.4187851598        2.2251079853
 Pt         4.4101178312        2.2460438202        9.1946963372
 Pt         5.3951515197        3.2867839436       -0.0936493351
 Pt         5.6911449170        3.1094985771        6.8619921571
 Pt         4.2034754832        3.9742729198        4.5632862849
 Pt         6.8865093304        2.4202367399        2.2133273872
 Pt         7.1830642814        2.2438447647        9.1806877457
 Pt         8.1658914116        3.2866205289       -0.1200358783
 Pt         8.4649626328        3.1091636317        6.8510642077
 Pt         6.9800094885        3.9674577195        4.5428587743
 Pt         9.6603854427        2.4214031923        2.2084955845
 Pt         9.9591234990        2.2451219181        9.1813825312
 Pt        10.9388582650        3.2847490454       -0.1229761667
 Pt        11.2388658363        3.1104199739        6.8551066871
 Pt         9.7559021735        3.9675820200        4.5294480451
 Pt        12.4330125641        2.4219605741        2.2105508171
 Pt        12.7341248450        2.2465735626        9.1958319265
 Pt        13.7133274264        3.2841766444       -0.1234774737
 Pt        14.0115013860        3.1109153383        6.8654627964
 Pt        12.5305056074        3.9671506267        4.5339321128
 Pt        -2.8287774683        4.8227796425        2.2079274717
 Pt        -2.5267337490        4.6472359843        9.1943552480
 Pt        -1.5479275484        5.6870074200       -0.1224954159
 Pt        -1.2466821798        5.5103978377        6.8636724363
 Pt        -2.7310417347        6.3703598848        4.5286648698
 Pt        -0.0593486601        4.8216674212        2.2257939883
 Pt         0.2438751374        4.6483334554        9.2147755403
 Pt         1.2328795905        5.6870458948       -0.0913147843
 Pt         1.5273545448        5.5098477616        6.8882798569
 Pt         0.0417170175        6.3653993432        4.5463213189
 Pt         2.7157643170        4.8232282417        2.2525772145
 Pt         3.0123553512        4.6376725245        9.2224211427
 Pt         4.0069592463        5.6859237286       -0.0693853363
 Pt         4.3028805285        5.5192750744        6.9246450153
 Pt         2.8178542928        6.3692355775        4.5837456768
 Pt         5.4941105420        4.8232479990        2.2460957694
 Pt         5.8056008092        4.6388766277        9.2112274195
 Pt         6.7758334771        5.6886481083       -0.0930183617
 Pt         7.0767936705        5.5153752121        6.8760244342
 Pt         5.5884152464        6.3704529168        4.5868461212
 Pt         8.2722400850        4.8227174447        2.2171609807
 Pt         8.5748087591        4.6487315893        9.1826090751
 Pt         9.5509973656        5.6870164249       -0.1176739893
 Pt         9.8543591746        5.5133777413        6.8514253469
 Pt         8.3668175804        6.3690720066        4.5425280646
 Pt        11.0479818571        4.8244843460        2.2074823451
 Pt        11.3493634139        4.6467928825        9.1825132328
 Pt        12.3256712743        5.6874853905       -0.1262959154
 Pt        12.6288567264        5.5135412771        6.8514761764
 Pt        11.1427216285        6.3724251079        4.5274544609
 Pt        -4.2128661839        7.2261435502        2.2024162214
 Pt        -3.9122400254        7.0487502335        9.1827579008
 Pt        -2.9349338880        8.0915974485       -0.1297308498
 Pt        -2.6325602870        7.9144839109        6.8477835119
 Pt        -4.1171478706        8.7746702266        4.5227979791
 Pt        -1.4421587528        7.2259958949        2.2065416139
 Pt        -1.1426826543        7.0519600807        9.1868239276
 Pt        -0.1574759779        8.0900236804       -0.1174534428
 Pt         0.1379909867        7.9152359808        6.8572215629
 Pt        -1.3411306155        8.7715830377        4.5232510647
 Pt         1.3277307771        7.2263313014        2.2343991034
 Pt         1.6155589670        7.0522271924        9.2033522075
 Pt         2.6189580240        8.0887519700       -0.0841258039
 Pt         2.9122863202        7.9193854031        6.9068066371
 Pt         1.4345085908        8.7673254448        4.5467632227
 Pt         4.1013523085        7.2270488016        2.2618100868
 Pt         4.4089468500        7.0584472009        9.2811427651
 Pt         5.3930427802        8.0877931298       -0.0703762912
 Pt         5.6878214548        7.9174275673        6.9220629197
 Pt         4.2032660033        8.7689539926        4.5841757039
 Pt         6.8802966952        7.2241338750        2.2454520978
 Pt         7.2022950037        7.0559920230        9.2084088173
 Pt         8.1641204990        8.0877060407       -0.0928044599
 Pt         8.4687572005        7.9174202113        6.8609813859
 Pt         6.9724141116        8.7681468208        4.5621637161
 Pt         9.6601296751        7.2257751736        2.2146341439
 Pt         9.9635045309        7.0527332136        9.1818989837
 Pt        10.9402122430        8.0916140735       -0.1205663368
 Pt        11.2441544878        7.9154857398        6.8493701741
 Pt         9.7531886139        8.7758180114        4.5322415993
 Pt        -5.6021611890        9.6305816806        2.2059284485
 Pt        -5.2982796446        9.4534587821        9.1798794813
 Pt        -4.3222659432       10.4937112680       -0.1255898681
 Pt        -4.0189531607       10.3182031012        6.8458159999
 Pt        -5.5047720096       11.1771165317        4.5288776257
 Pt        -2.8271804990        9.6309730329        2.1973903118
 Pt        -2.5282533034        9.4536527961        9.1744050504
 Pt        -1.5472073400       10.4948969767       -0.1360847911
 Pt        -1.2471846418       10.3184811071        6.8440059355
 Pt        -2.7288664904       11.1760672460        4.5199761506
 Pt        -0.0563722501        9.6317457639        2.2050462084
 Pt         0.2432565515        9.4589191047        9.1848065848
 Pt         1.2300560903       10.4929969159       -0.1142873885
 Pt         1.5255739368       10.3203206086        6.8593524393
 Pt         0.0462249967       11.1735003725        4.5259790611
 Pt         2.7165444304        9.6310536965        2.2380970038
 Pt         3.0156254625        9.4792082179        9.2040494268
 Pt         4.0046403817       10.4891397814       -0.0883721144
 Pt         4.3051376558       10.3237559261        6.8882058280
 Pt         2.8185868494       11.1761189245        4.5504775717
 Pt         5.4912029806        9.6285563983        2.2523491539
 Pt         5.8064522659        9.4811820108        9.2187131539
 Pt         6.7751832442       10.4922801473       -0.0828028877
 Pt         7.0808325955       10.3218457491        6.8709787705
 Pt         5.5881818876       11.1751299748        4.5638433163
 Pt         8.2697813871        9.6288720985        2.2260343725
 Pt         8.5757775280        9.4588200564        9.1951918852
 Pt         9.5512685140       10.4943316077       -0.1140339472
 Pt         9.8555940226       10.3189286666        6.8565192479
 Pt         8.3657638984       11.1746041880        4.5452780609
 Pt        -6.9924096389       12.0322813076        2.2171243267
 Pt        -6.6868509521       11.8604028575        9.1858231036
 Pt        -5.7113344609       12.8978171308       -0.1155613989
 Pt        -5.4057665539       12.7211792822        6.8533439025
 Pt        -6.8932749058       13.5776739478        4.5399944182
 Pt        -4.2156030031       12.0337741914        2.2032455208
 Pt        -3.9144308231       11.8562777416        9.1768366611
 Pt        -2.9349995874       12.8974096443       -0.1266839916
 Pt        -2.6326314356       12.7201020118        6.8471550892
 Pt        -4.1176142735       13.5794204462        4.5284730964
 Pt        -1.4404959150       12.0327219838        2.1988117196
 Pt        -1.1424326515       11.8572978670        9.1796290488
 Pt        -0.1605067130       12.8971348065       -0.1276927908
 Pt         0.1401155311       12.7207323783        6.8515528390
 Pt        -1.3430125901       13.5782388034        4.5242859542
 Pt         1.3337154951       12.0342453146        2.2109899409
 Pt         1.6317379659       11.8645014060        9.1918623879
 Pt         2.6152189462       12.8972885246       -0.1158783944
 Pt         2.9147700881       12.7231162246        6.8671706611
 Pt         1.4304827492       13.5788627526        4.5311659953
 Pt         4.1055505803       12.0346167139        2.2311174198
 Pt         4.4105015715       11.8703320350        9.2141595831
 Pt         5.3902701604       12.8948040836       -0.1021375726
 Pt         5.6896679541       12.7259525658        6.8773802332
 Pt         4.2038964979       13.5794987118        4.5475772564
 Pt         6.8789063712       12.0334409312        2.2353624663
 Pt         7.1892563487       11.8653316380        9.2001089792
 Pt         8.1632026827       12.8964432626       -0.1003578423
 Pt         8.4664579419       12.7248128926        6.8666615284
 Pt         6.9783250382       13.5768593370        4.5527309597
  O         4.3560915278        7.1494118919       11.6237189817
  H         5.2459373471        7.5122070575       11.8117137543
  H         4.3950467516        6.2121044905       11.8912365005
     183
 i =       77, E =    -21650.0189068515
 Pt        -0.0682677736        0.0203455446        2.2238485167
 Pt         0.2720802489       -0.1623681492        9.1973108306
 Pt         1.2090618820        0.8868074646       -0.1041552633
 Pt         1.5382452054        0.7011621827        6.8641350541
 Pt         0.0396545930        1.5607092437        4.5488063597
 Pt         2.7112141148        0.0213802278        2.2133287845
 Pt         3.0455849091       -0.1681557324        9.1826838507
 Pt         3.9870081188        0.8856195364       -0.1174924412
 Pt         4.3146524616        0.7024642153        6.8539945981
 Pt         2.8144154161        1.5632979591        4.5423418963
 Pt         5.4887030068        0.0209629315        2.2039214994
 Pt         5.8187693786       -0.1684509137        9.1792799976
 Pt         6.7631880808        0.8847431384       -0.1227966432
 Pt         7.0870432553        0.7018489783        6.8479957686
 Pt         5.5872146819        1.5651541304        4.5306480545
 Pt         8.2657384027        0.0201500116        2.2029765980
 Pt         8.5917309254       -0.1629799647        9.1847565890
 Pt         9.5368522281        0.8867955262       -0.1242370506
 Pt         9.8586350640        0.7029590829        6.8505927446
 Pt         8.3646027944        1.5635258647        4.5256935038
 Pt        11.0379428216        0.0218131249        2.2111043057
 Pt        11.3666953585       -0.1576892886        9.1920393260
 Pt        12.3103085430        0.8848559814       -0.1214250893
 Pt        12.6324814789        0.7059638976        6.8605706518
 Pt        11.1421897690        1.5662616133        4.5320701863
 Pt        13.8078637506        0.0200875435        2.2218819727
 Pt        14.1443867086       -0.1570621863        9.1978250342
 Pt        15.0816560806        0.8861933351       -0.1106395115
 Pt        15.4087807423        0.7055638647        6.8666160635
 Pt        13.9146266122        1.5638800219        4.5409157389
 Pt        -1.4547941914        2.4223611788        2.2180192944
 Pt        -1.1184071450        2.2386555444        9.2021901759
 Pt        -0.1764663038        3.2894101332       -0.1116207160
 Pt         0.1489489429        3.1030200706        6.8743409488
 Pt        -1.3470863605        3.9647687205        4.5394123439
 Pt         1.3180331001        2.4220906104        2.2312361387
 Pt         1.6576548830        2.2364255289        9.1978123342
 Pt         2.5978972690        3.2894229527       -0.0836427919
 Pt         2.9264324901        3.1032621455        6.8689401116
 Pt         1.4244800060        3.9653027205        4.5592849132
 Pt         4.0987737439        2.4211526523        2.2237703516
 Pt         4.4310448875        2.2364269294        9.1906728033
 Pt         5.3806454261        3.2904784816       -0.0932586715
 Pt         5.6997695442        3.1066395872        6.8605113888
 Pt         4.2006183060        3.9737395653        4.5615825567
 Pt         6.8781118963        2.4222268720        2.2124568669
 Pt         7.2044303668        2.2363742869        9.1798268236
 Pt         8.1528076982        3.2903369851       -0.1209605262
 Pt         8.4729415906        3.1063913263        6.8487875085
 Pt         6.9772647961        3.9671345244        4.5417355606
 Pt         9.6526662848        2.4236001328        2.2072275169
 Pt         9.9796138962        2.2395363410        9.1798933277
 Pt        10.9243711843        3.2886025334       -0.1254507262
 Pt        11.2476602816        3.1079017691        6.8514133446
 Pt         9.7543749253        3.9681315287        4.5278752487
 Pt        12.4245577503        2.4243234921        2.2076144355
 Pt        12.7550473669        2.2398349222        9.1908723076
 Pt        13.6967530179        3.2884641105       -0.1286304506
 Pt        14.0217227007        3.1071422587        6.8606528624
 Pt        12.5294081831        3.9687075475        4.5295889756
 Pt        -2.8380400736        4.8258858269        2.2026253004
 Pt        -2.5063130068        4.6379950485        9.1929093165
 Pt        -1.5646575154        5.6918950492       -0.1285679297
 Pt        -1.2373690015        5.5053005216        6.8602951043
 Pt        -2.7322624365        6.3705454423        4.5248320135
 Pt        -0.0691992504        4.8240083071        2.2203555770
 Pt         0.2629218605        4.6391945742        9.2114613322
 Pt         1.2153640881        5.6918224433       -0.0963879674
 Pt         1.5373069803        5.5027366437        6.8833243633
 Pt         0.0406247312        6.3641400095        4.5414989306
 Pt         2.7059379481        4.8256680967        2.2502102784
 Pt         3.0303190143        4.6274698684        9.2185914912
 Pt         3.9905510811        5.6895489161       -0.0680345318
 Pt         4.3122737551        5.5155448218        6.9261300760
 Pt         2.8161954722        6.3681898449        4.5810478682
 Pt         5.4850550665        4.8255550299        2.2459916271
 Pt         5.8265593227        4.6275706951        9.2111735735
 Pt         6.7600799050        5.6917347449       -0.0945674857
 Pt         7.0849989094        5.5127992410        6.8761321438
 Pt         5.5857212316        6.3700044447        4.5888186952
 Pt         8.2631405553        4.8243914302        2.2170573444
 Pt         8.5955337085        4.6421237070        9.1793041694
 Pt         9.5366372642        5.6900948742       -0.1197160495
 Pt         9.8633609821        5.5105588741        6.8479957611
 Pt         8.3645823260        6.3695587265        4.5419848662
 Pt        11.0391555747        4.8271089679        2.2056416375
 Pt        11.3702730590        4.6402061905        9.1791927075
 Pt        12.3098709697        5.6913298795       -0.1309250272
 Pt        12.6386197210        5.5101171491        6.8486635920
 Pt        11.1412241184        6.3740021987        4.5249662079
 Pt        -4.2221814064        7.2288858747        2.1998321836
 Pt        -3.8907915625        7.0401728759        9.1811190023
 Pt        -2.9499533910        8.0956918613       -0.1319946319
 Pt        -2.6230246442        7.9105813630        6.8449011312
 Pt        -4.1184784341        8.7751623894        4.5199418963
 Pt        -1.4510935526        7.2286692520        2.2029390515
 Pt        -1.1221260784        7.0420427375        9.1842980484
 Pt        -0.1727537472        8.0948573682       -0.1207617102
 Pt         0.1474158081        7.9101407121        6.8528773925
 Pt        -1.3422362058        8.7701933803        4.5193983924
 Pt         1.3185678308        7.2285612056        2.2295121958
 Pt         1.6338854675        7.0428452480        9.1986612802
 Pt         2.6014935043        8.0930023246       -0.0884206860
 Pt         2.9213143068        7.9140011275        6.9044330881
 Pt         1.4340406996        8.7659671531        4.5421846649
 Pt         4.0914591629        7.2293402769        2.2619477602
 Pt         4.4289045786        7.0480212922        9.2850413116
 Pt         5.3753909332        8.0913122733       -0.0694153807
 Pt         5.6962333121        7.9133035950        6.9245081502
 Pt         4.2020459277        8.7675305376        4.5838412423
 Pt         6.8702198136        7.2247962985        2.2455627446
 Pt         7.2209362132        7.0474166866        9.2106524890
 Pt         8.1469411456        8.0905708038       -0.0926367641
 Pt         8.4763156176        7.9142103858        6.8597207232
 Pt         6.9701357252        8.7673476440        4.5614195936
 Pt         9.6500204861        7.2269448091        2.2134719525
 Pt         9.9837061703        7.0452021594        9.1770308406
 Pt        10.9250050960        8.0947989525       -0.1216761427
 Pt        11.2535207773        7.9123956796        6.8453861806
 Pt         9.7510621011        8.7765112568        4.5297341140
 Pt        -5.6120382145        9.6326309258        2.2037179321
 Pt        -5.2764887763        9.4434170982        9.1752121658
 Pt        -4.3371437642       10.4973970989       -0.1273070807
 Pt        -4.0093429969       10.3152234967        6.8419523406
 Pt        -5.5066197125       11.1775535697        4.5256876353
 Pt        -2.8360871492        9.6336428668        2.1946205021
 Pt        -2.5056243976        9.4449009225        9.1713683095
 Pt        -1.5625140339       10.4992569444       -0.1389030879
 Pt        -1.2372686991       10.3149184945        6.8397720797
 Pt        -2.7300089972       11.1759214228        4.5166609693
 Pt        -0.0643657112        9.6344119264        2.2023709625
 Pt         0.2652572816        9.4502535487        9.1791222869
 Pt         1.2139866133       10.4980525490       -0.1187530971
 Pt         1.5353461497       10.3161201052        6.8556119368
 Pt         0.0452612312       11.1723485852        4.5226004709
 Pt         2.7086696850        9.6332706682        2.2333734249
 Pt         3.0350998665        9.4706639941        9.2019884223
 Pt         3.9865925400       10.4932605932       -0.0935725929
 Pt         4.3148156811       10.3189200404        6.8865150280
 Pt         2.8178429345       11.1745785506        4.5473923148
 Pt         5.4819860497        9.6295322727        2.2515907895
 Pt         5.8245387704        9.4731890834        9.2187054851
 Pt         6.7566562785       10.4958966822       -0.0847603942
 Pt         7.0895667172       10.3173478716        6.8677064510
 Pt         5.5867041408       11.1737514947        4.5612993821
 Pt         8.2595821829        9.6294799269        2.2238776559
 Pt         8.5955336634        9.4501134250        9.1903777446
 Pt         9.5360361606       10.4980180023       -0.1153840043
 Pt         9.8642816016       10.3152028297        6.8521959124
 Pt         8.3637361107       11.1743873017        4.5412626347
 Pt        -7.0022177216       12.0337196907        2.2132561431
 Pt        -6.6642387318       11.8494166679        9.1813688747
 Pt        -5.7271072846       12.9021679283       -0.1180282623
 Pt        -5.3964511245       12.7175050687        6.8508567290
 Pt        -6.8955286101       13.5769969273        4.5362573751
 Pt        -4.2245413456       12.0366420820        2.2012117991
 Pt        -3.8919744543       11.8460046461        9.1741736548
 Pt        -2.9496522116       12.9018864030       -0.1274028606
 Pt        -2.6233378581       12.7174653201        6.8440274041
 Pt        -4.1194935725       13.5791518938        4.5266265336
 Pt        -1.4486466876       12.0353886145        2.1958217849
 Pt        -1.1194816234       11.8495729245        9.1752684583
 Pt        -0.1750835086       12.9022180446       -0.1300312269
 Pt         0.1497994643       12.7181424790        6.8491714476
 Pt        -1.3440998778       13.5777521816        4.5221377362
 Pt         1.3262223765       12.0364074894        2.2086153867
 Pt         1.6535734288       11.8577293440        9.1881229696
 Pt         2.5993492401       12.9016427676       -0.1195209284
 Pt         2.9246985556       12.7196958391        6.8635140366
 Pt         1.4293046681       13.5783362214        4.5298039989
 Pt         4.0979225126       12.0357067676        2.2275880747
 Pt         4.4312557673       11.8636887665        9.2095149581
 Pt         5.3717860118       12.8984919829       -0.1078467044
 Pt         5.6995042526       12.7223545994        6.8729025118
 Pt         4.2024220348       13.5788224120        4.5440859192
 Pt         6.8695581383       12.0342788900        2.2315195434
 Pt         7.2105577361       11.8571240923        9.1952871448
 Pt         8.1447393365       12.9000825801       -0.1037178360
 Pt         8.4761028058       12.7203757565        6.8624660648
 Pt         6.9763434333       13.5759578588        4.5482917155
  O         4.3600962670        7.1526543422       11.6220858848
  H         5.2469173350        7.5209078627       11.8117626792
  H         4.4074699967        6.2131100157       11.8775308772
     183
 i =       78, E =    -21650.0189953036
 Pt        -0.0683895326        0.0202758086        2.2241982210
 Pt         0.2748670772       -0.1649018503        9.1985026050
 Pt         1.2071867368        0.8873736321       -0.1033575524
 Pt         1.5392470574        0.6999861824        6.8651494543
 Pt         0.0400110760        1.5607940770        4.5481486039
 Pt         2.7106210585        0.0221862509        2.2147694436
 Pt         3.0479899152       -0.1692464802        9.1852263242
 Pt         3.9844418754        0.8865951119       -0.1161256964
 Pt         4.3159051019        0.7018323430        6.8555198655
 Pt         2.8147549368        1.5633458529        4.5429841848
 Pt         5.4875213145        0.0220618575        2.2055517456
 Pt         5.8219245643       -0.1687213428        9.1801618151
 Pt         6.7611882991        0.8858555820       -0.1218745389
 Pt         7.0888944816        0.7017510831        6.8483265948
 Pt         5.5877272458        1.5653925265        4.5314956677
 Pt         8.2645877454        0.0206270472        2.2033866143
 Pt         8.5953117147       -0.1629264200        9.1851154521
 Pt         9.5353717577        0.8877784875       -0.1243098669
 Pt         9.8606509977        0.7026376922        6.8506326525
 Pt         8.3648804079        1.5637116077        4.5253523454
 Pt        11.0371581649        0.0216281855        2.2116760529
 Pt        11.3703987709       -0.1583344144        9.1918903422
 Pt        12.3086364603        0.8861899443       -0.1202938237
 Pt        12.6344396222        0.7050293300        6.8611268977
 Pt        11.1420705042        1.5655140217        4.5322340784
 Pt        13.8072660475        0.0202571279        2.2221803430
 Pt        14.1476109833       -0.1586881247        9.1978449758
 Pt        15.0797926406        0.8867974309       -0.1088527758
 Pt        15.4106014603        0.7041008946        6.8664859931
 Pt        13.9146207945        1.5633211161        4.5412201222
 Pt        -1.4549407723        2.4230409029        2.2190899681
 Pt        -1.1157144416        2.2359504041        9.2016693133
 Pt        -0.1787552897        3.2902930991       -0.1106544402
 Pt         0.1505577707        3.1013615680        6.8734636051
 Pt        -1.3470262549        3.9649458982        4.5398210810
 Pt         1.3182435618        2.4228110629        2.2307663412
 Pt         1.6600181237        2.2334333238        9.1984786391
 Pt         2.5957919993        3.2901146221       -0.0854053345
 Pt         2.9269689315        3.1023298623        6.8693482630
 Pt         1.4248868343        3.9655611525        4.5580169156
 Pt         4.0981410661        2.4226042210        2.2237237406
 Pt         4.4337089688        2.2344174852        9.1925544598
 Pt         5.3767278159        3.2905307446       -0.0940403490
 Pt         5.7005820444        3.1057783342        6.8610696299
 Pt         4.2011691884        3.9739622227        4.5615143510
 Pt         6.8767165680        2.4233425880        2.2123097380
 Pt         7.2070321823        2.2357289310        9.1804033703
 Pt         8.1502042251        3.2913911628       -0.1210922582
 Pt         8.4743337600        3.1061860341        6.8487439693
 Pt         6.9776324290        3.9672323409        4.5416652993
 Pt         9.6514031970        2.4240286527        2.2066061566
 Pt         9.9822563480        2.2395926779        9.1800856756
 Pt        10.9225747346        3.2896846310       -0.1259401333
 Pt        11.2493118688        3.1070217728        6.8510141635
 Pt         9.7545235213        3.9679231591        4.5269725573
 Pt        12.4236671714        2.4245028045        2.2086281454
 Pt        12.7578711593        2.2393674312        9.1905192905
 Pt        13.6949401725        3.2896689504       -0.1262900666
 Pt        14.0233726757        3.1067480217        6.8611134147
 Pt        12.5292789911        3.9678433732        4.5298667746
 Pt        -2.8388101758        4.8266202068        2.2043041946
 Pt        -2.5044998166        4.6370872058        9.1929289756
 Pt        -1.5666072176        5.6931349924       -0.1268084295
 Pt        -1.2358997720        5.5048626310        6.8606649885
 Pt        -2.7322735723        6.3702506207        4.5254343268
 Pt        -0.0688180468        4.8248917433        2.2207299638
 Pt         0.2660013680        4.6359502392        9.2101377945
 Pt         1.2123772776        5.6930038502       -0.0983251479
 Pt         1.5380869795        5.5017332359        6.8825095103
 Pt         0.0410131226        6.3646651515        4.5415218598
 Pt         2.7060402898        4.8264576780        2.2488020850
 Pt         3.0328650385        4.6241666021        9.2188669759
 Pt         3.9873697152        5.6901055057       -0.0696720201
 Pt         4.3130834794        5.5141209293        6.9264032752
 Pt         2.8164967570        6.3682026961        4.5801036332
 Pt         5.4845280909        4.8265680493        2.2453499150
 Pt         5.8283624355        4.6261190948        9.2121191557
 Pt         6.7581337499        5.6922133287       -0.0949987540
 Pt         7.0859962708        5.5113566763        6.8763131552
 Pt         5.5859903444        6.3695911975        4.5892584007
 Pt         8.2620418154        4.8253429143        2.2160300080
 Pt         8.5969316283        4.6414424813        9.1796346433
 Pt         9.5342208230        5.6914114320       -0.1206666801
 Pt         9.8640556932        5.5097929041        6.8475832849
 Pt         8.3646797579        6.3691696275        4.5420531316
 Pt        11.0379050306        4.8275728715        2.2050846656
 Pt        11.3713886325        4.6403886270        9.1789648437
 Pt        12.3077954889        5.6922616917       -0.1299791524
 Pt        12.6395517397        5.5096194354        6.8486287113
 Pt        11.1414112334        6.3734635324        4.5241639652
 Pt        -4.2236666712        7.2296825177        2.2000216318
 Pt        -3.8894799030        7.0401723295        9.1820179859
 Pt        -2.9523213689        8.0965863180       -0.1306353837
 Pt        -2.6222397058        7.9100554378        6.8462661647
 Pt        -4.1183257161        8.7747333403        4.5206925306
 Pt        -1.4516604469        7.2294555105        2.2042894546
 Pt        -1.1206591452        7.0414292332        9.1857053839
 Pt        -0.1753702513        8.0963002443       -0.1203389692
 Pt         0.1487178000        7.9095464975        6.8533338926
 Pt        -1.3419768426        8.7704499916        4.5209895040
 Pt         1.3188731513        7.2291157582        2.2287859345
 Pt         1.6364577411        7.0408084170        9.1983306972
 Pt         2.5984551717        8.0938325349       -0.0913440393
 Pt         2.9224422965        7.9117642349        6.9037975271
 Pt         1.4344533141        8.7661931649        4.5416408220
 Pt         4.0913079864        7.2299718971        2.2605178691
 Pt         4.4310727273        7.0448121587        9.2851322942
 Pt         5.3724494776        8.0920690008       -0.0708036663
 Pt         5.6970748986        7.9114145294        6.9250500646
 Pt         4.2022113386        8.7672323208        4.5826712841
 Pt         6.8695495311        7.2255685109        2.2452855292
 Pt         7.2231197700        7.0457912252        9.2118943292
 Pt         8.1452391136        8.0913737621       -0.0937333148
 Pt         8.4767506596        7.9130839871        6.8602517894
 Pt         6.9700800326        8.7668285208        4.5612521066
 Pt         9.6485251039        7.2274729308        2.2126720927
 Pt         9.9848450782        7.0450428929        9.1772607982
 Pt        10.9227393341        8.0961574750       -0.1215152882
 Pt        11.2540614579        7.9113942392        6.8455141255
 Pt         9.7509102253        8.7758483761        4.5301320391
 Pt        -5.6136861476        9.6330048912        2.2044124320
 Pt        -5.2746014395        9.4432866960        9.1761754513
 Pt        -4.3396182504       10.4982804472       -0.1255552561
 Pt        -4.0080090285       10.3140518856        6.8436048138
 Pt        -5.5066056238       11.1768278685        4.5271140326
 Pt        -2.8370717133        9.6343805141        2.1961837951
 Pt        -2.5032076557        9.4441822684        9.1743206934
 Pt        -1.5646240077       10.4996897948       -0.1376948368
 Pt        -1.2361509766       10.3138249256        6.8415467611
 Pt        -2.7299342241       11.1756172692        4.5185569693
 Pt        -0.0649747937        9.6345764388        2.2030758740
 Pt         0.2671027720        9.4494277948        9.1803076664
 Pt         1.2112051525       10.4987950266       -0.1188426958
 Pt         1.5364527530       10.3152293575        6.8554568258
 Pt         0.0451922946       11.1722320572        4.5234226607
 Pt         2.7084911733        9.6333990692        2.2315432915
 Pt         3.0375157658        9.4685224649        9.2009878956
 Pt         3.9837943548       10.4942336359       -0.0959968250
 Pt         4.3157936087       10.3167120904        6.8853195218
 Pt         2.8178247741       11.1740488749        4.5464061663
 Pt         5.4817216214        9.6300273170        2.2502000422
 Pt         5.8277066765        9.4706809607        9.2182644671
 Pt         6.7551126051       10.4964966400       -0.0866447867
 Pt         7.0900554671       10.3164953839        6.8677937887
 Pt         5.5868643003       11.1732989550        4.5601809735
 Pt         8.2588311139        9.6298004272        2.2230273312
 Pt         8.5975072782        9.4488566727        9.1910748057
 Pt         9.5332187055       10.4987532781       -0.1159748227
 Pt         9.8653135744       10.3140644356        6.8529044407
 Pt         8.3637941527       11.1738497584        4.5412992079
 Pt        -7.0029851156       12.0337545681        2.2139241175
 Pt        -6.6620896388       11.8485917854        9.1829913788
 Pt        -5.7294231690       12.9029849594       -0.1158979752
 Pt        -5.3948267698       12.7164111164        6.8522078248
 Pt        -6.8953337894       13.5770155898        4.5371908262
 Pt        -4.2258427685       12.0371212457        2.2033911062
 Pt        -3.8887375280       11.8453554399        9.1755452303
 Pt        -2.9516007586       12.9027041506       -0.1250527107
 Pt        -2.6215486576       12.7167603216        6.8455846114
 Pt        -4.1191383393       13.5789378556        4.5285827486
 Pt        -1.4495854592       12.0356414065        2.1972034079
 Pt        -1.1163436253       11.8495982889        9.1765176731
 Pt        -0.1772770877       12.9026277424       -0.1288268005
 Pt         0.1511371719       12.7178025991        6.8496229288
 Pt        -1.3439790136       13.5777978438        4.5229678116
 Pt         1.3255757604       12.0363568685        2.2092185380
 Pt         1.6566045756       11.8567175679        9.1874631206
 Pt         2.5970644995       12.9025629221       -0.1192166105
 Pt         2.9260089130       12.7189663480        6.8635169192
 Pt         1.4293183259       13.5781037316        4.5301844639
 Pt         4.0974941481       12.0356236425        2.2265019425
 Pt         4.4342405674       11.8615576110        9.2084834099
 Pt         5.3697864542       12.8992801812       -0.1078428450
 Pt         5.7010506848       12.7206867354        6.8721834139
 Pt         4.2024992903       13.5779711113        4.5438550993
 Pt         6.8692407414       12.0343399033        2.2308068809
 Pt         7.2127043700       11.8549710427        9.1955076973
 Pt         8.1430381387       12.9003903829       -0.1040423833
 Pt         8.4770574054       12.7194501893        6.8633090450
 Pt         6.9766661862       13.5757715906        4.5478481031
  O         4.3588752999        7.1496871414       11.6226630105
  H         5.2462153468        7.5197039525       11.8076056585
  H         4.4154426654        6.2072279603       11.8690463719
     183
 i =       79, E =    -21650.0191078714
 Pt        -0.0691710433        0.0210606994        2.2245063274
 Pt         0.2814645080       -0.1717293752        9.2009778108
 Pt         1.2021038755        0.8889526482       -0.1029093387
 Pt         1.5427749305        0.6963865441        6.8659337780
 Pt         0.0417436214        1.5614877574        4.5469033306
 Pt         2.7085622509        0.0242369281        2.2185007614
 Pt         3.0549955476       -0.1725642939        9.1893158915
 Pt         3.9770485081        0.8885845140       -0.1135179247
 Pt         4.3194567588        0.6994877163        6.8591640151
 Pt         2.8166337164        1.5641157195        4.5447296101
 Pt         5.4841510073        0.0247176849        2.2088549197
 Pt         5.8304718226       -0.1699085899        9.1821409002
 Pt         6.7545868509        0.8886629079       -0.1198674801
 Pt         7.0938156262        0.7006061055        6.8490141359
 Pt         5.5894321078        1.5656330328        4.5336174479
 Pt         8.2610045801        0.0221130617        2.2036154644
 Pt         8.6047667814       -0.1641405257        9.1840320071
 Pt         9.5299375717        0.8907912690       -0.1246377995
 Pt         9.8660687270        0.7009602005        6.8506027104
 Pt         8.3661102605        1.5636137523        4.5245428779
 Pt        11.0338563783        0.0220344274        2.2117906499
 Pt        11.3796016800       -0.1616983184        9.1917128905
 Pt        12.3034998833        0.8896387904       -0.1180055728
 Pt        12.6397451724        0.7015482745        6.8621199195
 Pt        11.1422534508        1.5636702805        4.5323110302
 Pt        13.8055171414        0.0211582803        2.2227914059
 Pt        14.1547030504       -0.1638934328        9.1988795733
 Pt        15.0751914701        0.8885947313       -0.1055003626
 Pt        15.4146803171        0.7002964891        6.8659767530
 Pt        13.9151148363        1.5619370789        4.5424352968
 Pt        -1.4556037409        2.4247830808        2.2218718641
 Pt        -1.1092299429        2.2296102377        9.2007050738
 Pt        -0.1843124812        3.2924574687       -0.1086648739
 Pt         0.1539571000        3.0989337118        6.8717650562
 Pt        -1.3463344722        3.9653606574        4.5411929236
 Pt         1.3181987145        2.4249897123        2.2294873476
 Pt         1.6667440459        2.2261480336        9.2005754831
 Pt         2.5894377311        3.2924121405       -0.0908367327
 Pt         2.9294913213        3.0993453163        6.8704310398
 Pt         1.4265094202        3.9667580557        4.5558852610
 Pt         4.0959393452        2.4259423640        2.2242536581
 Pt         4.4412397360        2.2291591173        9.1983760205
 Pt         5.3667346174        3.2919385596       -0.0965999582
 Pt         5.7034551735        3.1027058499        6.8629888884
 Pt         4.2028915726        3.9740246792        4.5617943966
 Pt         6.8731546848        2.4262859102        2.2118833722
 Pt         7.2146539917        2.2335087322        9.1813404463
 Pt         8.1420013588        3.2942820717       -0.1220598609
 Pt         8.4790439002        3.1043221192        6.8483480647
 Pt         6.9791597355        3.9670774771        4.5414131076
 Pt         9.6476208561        2.4252767444        2.2045045063
 Pt         9.9900179156        2.2381466339        9.1796074774
 Pt        10.9163712217        3.2929512369       -0.1271334582
 Pt        11.2541101556        3.1048296688        6.8511355433
 Pt         9.7555541043        3.9665679748        4.5246325091
 Pt        12.4205690935        2.4254802015        2.2106175942
 Pt        12.7655245673        2.2371077011        9.1908430504
 Pt        13.6901071888        3.2930660321       -0.1202952245
 Pt        14.0281949831        3.1046059864        6.8617936664
 Pt        12.5292233212        3.9657209786        4.5308522397
 Pt        -2.8406792022        4.8290401390        2.2084781990
 Pt        -2.4984065678        4.6346222895        9.1920699812
 Pt        -1.5719372462        5.6962985435       -0.1222233687
 Pt        -1.2318592598        5.5040010600        6.8614771092
 Pt        -2.7317724207        6.3697924632        4.5270413011
 Pt        -0.0686563431        4.8273718535        2.2214387765
 Pt         0.2735080927        4.6290771272        9.2074347131
 Pt         1.2046940547        5.6959861539       -0.1023924559
 Pt         1.5405221530        5.4994133985        6.8814118875
 Pt         0.0419998673        6.3663024240        4.5416776351
 Pt         2.7057416953        4.8287244104        2.2448963196
 Pt         3.0401764827        4.6176786682        9.2209122320
 Pt         3.9790273144        5.6925636260       -0.0752698985
 Pt         4.3157784327        5.5097827918        6.9261463653
 Pt         2.8176768110        6.3683329714        4.5773178603
 Pt         5.4823310397        4.8293689708        2.2436155358
 Pt         5.8342344800        4.6226212458        9.2144233103
 Pt         6.7514568841        5.6943019304       -0.0961616265
 Pt         7.0892291233        5.5071209876        6.8770426822
 Pt         5.5871912621        6.3689334130        4.5887219750
 Pt         8.2588204121        4.8278169345        2.2135052215
 Pt         8.6019258024        4.6388126731        9.1809244690
 Pt         9.5269754754        5.6949274465       -0.1236920626
 Pt         9.8669491551        5.5073315113        6.8472278203
 Pt         8.3657773690        6.3681119900        4.5416344597
 Pt        11.0343489603        4.8287583164        2.2030823643
 Pt        11.3758224127        4.6397199396        9.1782553891
 Pt        12.3019530814        5.6953689082       -0.1276190084
 Pt        12.6425923167        5.5078283039        6.8486662890
 Pt        11.1421752743        6.3713741208        4.5224906024
 Pt        -4.2270401419        7.2318750913        2.2003739723
 Pt        -3.8850573762        7.0393801175        9.1825968884
 Pt        -2.9591942888        8.0996599266       -0.1282610711
 Pt        -2.6192844834        7.9082362877        6.8495269968
 Pt        -4.1177129716        8.7730064526        4.5227449245
 Pt        -1.4533152617        7.2319430445        2.2067771301
 Pt        -1.1146308715        7.0386386433        9.1868667292
 Pt        -0.1828969718        8.0994522765       -0.1201600491
 Pt         0.1526929990        7.9077525147        6.8552767751
 Pt        -1.3413879708        8.7706110572        4.5243468847
 Pt         1.3185920930        7.2304698714        2.2264889793
 Pt         1.6446955265        7.0347854891        9.1975852036
 Pt         2.5909204515        8.0961691464       -0.0978652482
 Pt         2.9264214934        7.9072769643        6.9014771480
 Pt         1.4353853606        8.7669963924        4.5406528918
 Pt         4.0904802216        7.2316655891        2.2556376196
 Pt         4.4367028921        7.0385322535        9.2831176709
 Pt         5.3652676793        8.0941276120       -0.0752653845
 Pt         5.7002531801        7.9059314592        6.9241352661
 Pt         4.2028040951        8.7661575452        4.5785392359
 Pt         6.8673245970        7.2280994126        2.2438486174
 Pt         7.2295838639        7.0415455659        9.2137178257
 Pt         8.1391956624        8.0941995814       -0.0971545584
 Pt         8.4792954980        7.9102087078        6.8613412682
 Pt         6.9705607991        8.7656447164        4.5606400783
 Pt         9.6449333664        7.2291942484        2.2110054902
 Pt         9.9894671698        7.0438794551        9.1788306066
 Pt        10.9159504862        8.1001835401       -0.1222300993
 Pt        11.2557025730        7.9083139597        6.8462403497
 Pt         9.7511635478        8.7739354715        4.5314141984
 Pt        -5.6174436180        9.6344495465        2.2064259555
 Pt        -5.2690577462        9.4433600781        9.1792636069
 Pt        -4.3466320154       10.5016617943       -0.1218012110
 Pt        -4.0045672240       10.3105705346        6.8479293206
 Pt        -5.5062133623       11.1751809334        4.5310798961
 Pt        -2.8402019508        9.6361465458        2.1992991374
 Pt        -2.4970487760        9.4428267694        9.1809493181
 Pt        -1.5714906292       10.5017601142       -0.1353119899
 Pt        -1.2326067338       10.3112740867        6.8466185818
 Pt        -2.7295836770       11.1746069385        4.5232245194
 Pt        -0.0670552371        9.6352683773        2.2042256531
 Pt         0.2734370182        9.4459751928        9.1832286926
 Pt         1.2039356930       10.5008103000       -0.1190002295
 Pt         1.5399907567       10.3118909988        6.8555576550
 Pt         0.0452135378       11.1723285897        4.5254687250
 Pt         2.7070012406        9.6336702694        2.2272736088
 Pt         3.0448083658        9.4625738890        9.1975414616
 Pt         3.9771075918       10.4966766203       -0.1010709478
 Pt         4.3184657626       10.3122842886        6.8820543819
 Pt         2.8180988616       11.1734080888        4.5437028070
 Pt         5.4800801933        9.6316154490        2.2455527282
 Pt         5.8360580079        9.4638203727        9.2171609758
 Pt         6.7498724659       10.4981170675       -0.0917216189
 Pt         7.0929819986       10.3129756963        6.8672096557
 Pt         5.5873698835       11.1721237581        4.5572945963
 Pt         8.2560956399        9.6312017350        2.2219845095
 Pt         8.6040801807        9.4460308427        9.1939438448
 Pt         9.5258018375       10.5013302466       -0.1176157749
 Pt         9.8681987303       10.3112046281        6.8559145668
 Pt         8.3645776014       11.1728321784        4.5422876449
 Pt        -7.0054836270       12.0343862824        2.2163153639
 Pt        -6.6555959112       11.8465531915        9.1862190816
 Pt        -5.7360818057       12.9047557037       -0.1110697178
 Pt        -5.3905536492       12.7132320564        6.8560558126
 Pt        -6.8939098704       13.5766605885        4.5395590732
 Pt        -4.2288464306       12.0390386629        2.2085497288
 Pt        -3.8808512417       11.8446339612        9.1792615202
 Pt        -2.9575025356       12.9053644192       -0.1199014593
 Pt        -2.6168155139       12.7144255456        6.8494634665
 Pt        -4.1181550797       13.5788178499        4.5331884026
 Pt        -1.4527682539       12.0368852887        2.2005365573
 Pt        -1.1082567853       11.8485658259        9.1799570118
 Pt        -0.1837179190       12.9046081776       -0.1261991085
 Pt         0.1553754513       12.7157374240        6.8507296474
 Pt        -1.3435967663       13.5778536572        4.5251352180
 Pt         1.3226073653       12.0366822880        2.2095222134
 Pt         1.6646463849       11.8531140822        9.1860811951
 Pt         2.5909989024       12.9050051630       -0.1185211490
 Pt         2.9299695788       12.7155291456        6.8624117376
 Pt         1.4296240075       13.5776188679        4.5303665985
 Pt         4.0953234914       12.0359126525        2.2237044999
 Pt         4.4426305616       11.8552675708        9.2063813737
 Pt         5.3647625705       12.9014631079       -0.1077538211
 Pt         5.7042788180       12.7167169527        6.8711220855
 Pt         4.2031422838       13.5763682149        4.5431279555
 Pt         6.8678136033       12.0351393163        2.2289538113
 Pt         7.2188360139       11.8493725133        9.1971552659
 Pt         8.1379407866       12.9017916718       -0.1053748038
 Pt         8.4807630425       12.7158285133        6.8641866526
 Pt         6.9780527031       13.5751207935        4.5471201255
  O         4.3553597277        7.1407545469       11.6249367479
  H         5.2431046271        7.5160308371       11.7988615484
  H         4.4331116083        6.1916377319       11.8517941505
     183
 i =       80, E =    -21650.0191428959
 Pt        -0.0712528662        0.0220186455        2.2239071660
 Pt         0.2856397893       -0.1739758751        9.1999651127
 Pt         1.1978817672        0.8903817293       -0.1042937206
 Pt         1.5449734775        0.6949521827        6.8657009225
 Pt         0.0424291664        1.5616228031        4.5466130094
 Pt         2.7062013473        0.0252723938        2.2181786438
 Pt         3.0596846549       -0.1745533562        9.1887641699
 Pt         3.9724069038        0.8900954287       -0.1140232629
 Pt         4.3222150926        0.6981710416        6.8589256975
 Pt         2.8169665774        1.5643369903        4.5444542144
 Pt         5.4815857314        0.0258370997        2.2087299484
 Pt         5.8357170833       -0.1720002277        9.1821999653
 Pt         6.7494384001        0.8904203864       -0.1203782530
 Pt         7.0967109309        0.6989844102        6.8485844889
 Pt         5.5898425633        1.5656232323        4.5333978131
 Pt         8.2582568056        0.0231418505        2.2028684449
 Pt         8.6100178656       -0.1670001615        9.1827704316
 Pt         9.5252561545        0.8925180341       -0.1255075765
 Pt         9.8691137551        0.6991703739        6.8495378207
 Pt         8.3665119781        1.5632130397        4.5238527866
 Pt        11.0313047367        0.0231677623        2.2108509563
 Pt        11.3843676996       -0.1649336498        9.1910292675
 Pt        12.2992706115        0.8912419076       -0.1181165576
 Pt        12.6424034974        0.6997182285        6.8621452466
 Pt        11.1427963389        1.5634039919        4.5317876798
 Pt        13.8033501956        0.0221631460        2.2222955204
 Pt        14.1590738453       -0.1670263099        9.1993156443
 Pt        15.0711547893        0.8902061920       -0.1058493283
 Pt        15.4173161183        0.6984306091        6.8659075207
 Pt        13.9157474360        1.5616133086        4.5424794199
 Pt        -1.4575879138        2.4257310454        2.2217190816
 Pt        -1.1047568387        2.2268930845        9.2005088154
 Pt        -0.1883973056        3.2937445531       -0.1092545099
 Pt         0.1565516873        3.0973859136        6.8715086187
 Pt        -1.3457824668        3.9654276903        4.5411509330
 Pt         1.3161034902        2.4259632447        2.2285823942
 Pt         1.6713803173        2.2237265110        9.2001119454
 Pt         2.5848624259        3.2939986608       -0.0926328287
 Pt         2.9319396712        3.0979502337        6.8708261633
 Pt         1.4270694313        3.9670705997        4.5555257205
 Pt         4.0936421816        2.4269810511        2.2233650465
 Pt         4.4461448838        2.2269431672        9.1992039514
 Pt         5.3617116244        3.2937145702       -0.0975185173
 Pt         5.7061936370        3.1010286153        6.8631523695
 Pt         4.2034291942        3.9738886370        4.5613331438
 Pt         6.8706780271        2.4273706479        2.2112530089
 Pt         7.2199606418        2.2313487504        9.1808795940
 Pt         8.1367005296        3.2959691347       -0.1232222860
 Pt         8.4821411889        3.1027947524        6.8479228565
 Pt         6.9796480488        3.9667594791        4.5409507519
 Pt         9.6450732599        2.4262746068        2.2034838158
 Pt         9.9953744197        2.2354475744        9.1790356017
 Pt        10.9116687272        3.2947622503       -0.1278342736
 Pt        11.2571853369        3.1031923639        6.8507690701
 Pt         9.7559131784        3.9659953544        4.5236472712
 Pt        12.4182067776        2.4263848436        2.2104553657
 Pt        12.7703665864        2.2343086734        9.1910994200
 Pt        13.6861742910        3.2949484658       -0.1192288507
 Pt        14.0307932130        3.1029567617        6.8617727116
 Pt        12.5296593379        3.9653596153        4.5304804907
 Pt        -2.8430855725        4.8299120227        2.2083465594
 Pt        -2.4934200606        4.6323995567        9.1912342957
 Pt        -1.5761045950        5.6981567452       -0.1218910618
 Pt        -1.2291303675        5.5029016871        6.8609145145
 Pt        -2.7315635784        6.3697365813        4.5267035395
 Pt        -0.0707729387        4.8284026668        2.2208423892
 Pt         0.2785288247        4.6265240370        9.2073841305
 Pt         1.2000527336        5.6975712858       -0.1036483074
 Pt         1.5434122758        5.4980125621        6.8808637999
 Pt         0.0422352757        6.3665546228        4.5410104328
 Pt         2.7035013105        4.8294877343        2.2433079220
 Pt         3.0452391504        4.6152555705        9.2211823845
 Pt         3.9742141206        5.6942535497       -0.0780390884
 Pt         4.3184989662        5.5079390301        6.9251539594
 Pt         2.8179176698        6.3682228391        4.5756274538
 Pt         5.4799401905        4.8301626504        2.2424323804
 Pt         5.8392645695        4.6205535497        9.2143547515
 Pt         6.7465077875        5.6958975443       -0.0973845266
 Pt         7.0920701346        5.5053489432        6.8762169170
 Pt         5.5875695051        6.3683661825        4.5869482170
 Pt         8.2564459641        4.8288150309        2.2124151472
 Pt         8.6072490046        4.6364753378        9.1806007583
 Pt         9.5219849627        5.6965791539       -0.1249912508
 Pt         9.8696298623        5.5057153806        6.8470015972
 Pt         8.3661361166        6.3675820905        4.5407007885
 Pt        11.0319846393        4.8298400356        2.2019819877
 Pt        11.3810621502        4.6374992655        9.1781466216
 Pt        12.2974624713        5.6973727508       -0.1279646720
 Pt        12.6452146184        5.5065414575        6.8480055302
 Pt        11.1422075890        6.3705163295        4.5216749337
 Pt        -4.2292925475        7.2330425355        2.1998624130
 Pt        -3.8799220568        7.0375963804        9.1816274524
 Pt        -2.9637965011        8.1016704378       -0.1290629207
 Pt        -2.6166128711        7.9073367184        6.8491790747
 Pt        -4.1177148963        8.7725319083        4.5225770740
 Pt        -1.4558040290        7.2332058045        2.2060280316
 Pt        -1.1093298961        7.0363141207        9.1858397701
 Pt        -0.1874900431        8.1011972424       -0.1211844437
 Pt         0.1557532970        7.9067045106        6.8549100240
 Pt        -1.3413792893        8.7707852304        4.5243019662
 Pt         1.3161875346        7.2315120191        2.2251418332
 Pt         1.6504935259        7.0320610343        9.1977149742
 Pt         2.5862555535        8.0978517990       -0.0995024727
 Pt         2.9287039360        7.9061947445        6.8993981122
 Pt         1.4351121576        8.7669228763        4.5396869189
 Pt         4.0879976082        7.2323688395        2.2532112295
 Pt         4.4419983381        7.0371942558        9.2806652279
 Pt         5.3608331908        8.0956849456       -0.0779508466
 Pt         5.7030720846        7.9039927280        6.9219432093
 Pt         4.2027971232        8.7660303120        4.5760245397
 Pt         6.8651360994        7.2290156345        2.2423139773
 Pt         7.2348424210        7.0394970098        9.2123943837
 Pt         8.1345259824        8.0959666472       -0.0983559837
 Pt         8.4821849820        7.9085090516        6.8609481839
 Pt         6.9708132640        8.7651478917        4.5593784936
 Pt         9.6427761583        7.2302629659        2.2099632384
 Pt         9.9949199468        7.0417039658        9.1791200214
 Pt        10.9110477412        8.1021165633       -0.1229640708
 Pt        11.2581114072        7.9068703398        6.8462538713
 Pt         9.7515106621        8.7733402238        4.5313051068
 Pt        -5.6197751245        9.6353556777        2.2063790091
 Pt        -5.2638811204        9.4416905614        9.1798019028
 Pt        -4.3512874939       10.5037676852       -0.1218054625
 Pt        -4.0019163057       10.3090353588        6.8483975845
 Pt        -5.5058251956       11.1746205120        4.5314309989
 Pt        -2.8425556420        9.6373719882        2.1990861691
 Pt        -2.4919738392        9.4409210771        9.1807444857
 Pt        -1.5760589213       10.5037048995       -0.1357318818
 Pt        -1.2298733912       10.3098750190        6.8469125484
 Pt        -2.7295812771       11.1741611462        4.5234691450
 Pt        -0.0697558910        9.6363259394        2.2035166345
 Pt         0.2786940071        9.4432914553        9.1831211965
 Pt         1.1995738248       10.5023213063       -0.1197446194
 Pt         1.5428227289       10.3104523693        6.8550934382
 Pt         0.0451624911       11.1722990256        4.5252984168
 Pt         2.7042661509        9.6345676022        2.2259421389
 Pt         3.0504624576        9.4597875153        9.1958429430
 Pt         3.9727466451       10.4982986253       -0.1022989530
 Pt         4.3212673609       10.3106390980        6.8802630886
 Pt         2.8178408491       11.1732443314        4.5424195388
 Pt         5.4775509323        9.6326061008        2.2436004881
 Pt         5.8408274097        9.4611677127        9.2159011399
 Pt         6.7454814251       10.4996610751       -0.0932997439
 Pt         7.0955522314       10.3111733999        6.8670235194
 Pt         5.5875287450       11.1718537807        4.5559934583
 Pt         8.2538284523        9.6320730491        2.2213463953
 Pt         8.6092851688        9.4437271903        9.1945590028
 Pt         9.5212961220       10.5030987842       -0.1177729753
 Pt         9.8707879784       10.3093339962        6.8561423681
 Pt         8.3647650265       11.1723696252        4.5420626487
 Pt        -7.0078685180       12.0351990941        2.2163962802
 Pt        -6.6508213817       11.8447217184        9.1863418739
 Pt        -5.7405221668       12.9062069144       -0.1113599672
 Pt        -5.3877847103       12.7115503944        6.8556626243
 Pt        -6.8935879635       13.5766787199        4.5392217360
 Pt        -4.2314579370       12.0398099276        2.2086430270
 Pt        -3.8756635824       11.8429815448        9.1799368831
 Pt        -2.9621996661       12.9072254864       -0.1203309601
 Pt        -2.6140142722       12.7127617524        6.8497356683
 Pt        -4.1178417673       13.5785776657        4.5329901505
 Pt        -1.4554191131       12.0379484250        2.2003947422
 Pt        -1.1031171101       11.8459417374        9.1803647418
 Pt        -0.1881205263       12.9063554815       -0.1266967110
 Pt         0.1581518571       12.7138637106        6.8501930685
 Pt        -1.3435251776       13.5775809370        4.5250157517
 Pt         1.3196647375       12.0376335995        2.2086280971
 Pt         1.6696430659       11.8500862215        9.1853464365
 Pt         2.5869257304       12.9065270138       -0.1190239011
 Pt         2.9326264061       12.7137040590        6.8615225682
 Pt         1.4298598319       13.5775136999        4.5293397871
 Pt         4.0926467869       12.0370245391        2.2225741080
 Pt         4.4471339227       11.8523944364        9.2064152805
 Pt         5.3606997602       12.9031014754       -0.1082297429
 Pt         5.7070649401       12.7146406788        6.8707517869
 Pt         4.2034412106       13.5761241794        4.5424474348
 Pt         6.8654678101       12.0361331218        2.2281482941
 Pt         7.2235806218       11.8465210860        9.1971066962
 Pt         8.1335433484       12.9033087390       -0.1062011977
 Pt         8.4831324969       12.7141337189        6.8640248305
 Pt         6.9784848020       13.5749638337        4.5467202928
  O         4.3569250230        7.1420010822       11.6248793778
  H         5.2436296684        7.5175812551       11.8016458998
  H         4.4341946678        6.1925512946       11.8507835083
     183
 i =       81, E =    -21650.0191971160
 Pt        -0.0770412824        0.0248386686        2.2219295252
 Pt         0.2968293614       -0.1794270629        9.1974906939
 Pt         1.1859521324        0.8943209887       -0.1082612040
 Pt         1.5519462799        0.6914057794        6.8644142395
 Pt         0.0439069006        1.5620332006        4.5459998378
 Pt         2.6995260306        0.0279821383        2.2163504564
 Pt         3.0724237905       -0.1794935004        9.1863589461
 Pt         3.9596220944        0.8943275112       -0.1165828218
 Pt         4.3296777726        0.6949168676        6.8581185476
 Pt         2.8180044877        1.5647116693        4.5431796186
 Pt         5.4743090540        0.0285333906        2.2075219532
 Pt         5.8494193587       -0.1776150889        9.1817347514
 Pt         6.7354321158        0.8948604380       -0.1227536524
 Pt         7.1043363966        0.6945621464        6.8471344875
 Pt         5.5906865268        1.5653933361        4.5324521900
 Pt         8.2504679086        0.0260625181        2.2006138938
 Pt         8.6234009409       -0.1746919504        9.1797694216
 Pt         9.5119346327        0.8969916103       -0.1282334282
 Pt         9.8771229474        0.6942785543        6.8468146393
 Pt         8.3676026660        1.5622407709        4.5217935639
 Pt        11.0240869120        0.0266060004        2.2081263705
 Pt        11.3967627742       -0.1735772246        9.1891794740
 Pt        12.2872610630        0.8957486431       -0.1190190933
 Pt        12.6501033014        0.6947744186        6.8614837017
 Pt        11.1445347127        1.5627752194        4.5299839329
 Pt        13.7972178823        0.0251173679        2.2206476720
 Pt        14.1705908199       -0.1754893873        9.1999050230
 Pt        15.0599717229        0.8945474098       -0.1077008705
 Pt        15.4239412415        0.6936303441        6.8660644287
 Pt        13.9176014908        1.5612430123        4.5421146820
 Pt        -1.4633749610        2.4283362948        2.2207410029
 Pt        -1.0932371940        2.2207426132        9.2000715281
 Pt        -0.1995566579        3.2976343334       -0.1114606400
 Pt         0.1636712254        3.0942598177        6.8714770348
 Pt        -1.3442538972        3.9657272559        4.5405365597
 Pt         1.3102279488        2.4285770377        2.2259285440
 Pt         1.6835302703        2.2187329611        9.1991105491
 Pt         2.5723442308        3.2982646889       -0.0972059288
 Pt         2.9395803361        3.0946029752        6.8706581843
 Pt         1.4285280077        3.9677528633        4.5541186608
 Pt         4.0871062595        2.4295485518        2.2209423088
 Pt         4.4592510451        2.2217665987        9.1997851355
 Pt         5.3487359272        3.2989960328       -0.1008762015
 Pt         5.7140960983        3.0970495474        6.8634110820
 Pt         4.2045638316        3.9733824821        4.5594518944
 Pt         6.8639209692        2.4302097743        2.2092491688
 Pt         7.2342039604        2.2254394452        9.1795010829
 Pt         8.1227034998        3.3002726989       -0.1271502870
 Pt         8.4904605888        3.0981449450        6.8462413275
 Pt         6.9808760834        3.9657590821        4.5394917591
 Pt         9.6377814411        2.4289678330        2.2004697147
 Pt        10.0094102613        2.2280770733        9.1769946284
 Pt        10.8986537406        3.2993636406       -0.1296511043
 Pt        11.2653606350        3.0988860873        6.8499116802
 Pt         9.7571216796        3.9642999812        4.5211044327
 Pt        12.4116000445        2.4291531871        2.2094043049
 Pt        12.7831555844        2.2265199620        9.1910264888
 Pt        13.6745271641        3.2995803888       -0.1183248065
 Pt        14.0381932051        3.0987811708        6.8614611065
 Pt        12.5310972183        3.9646120678        4.5293393003
 Pt        -2.8497807441        4.8329430135        2.2075852520
 Pt        -2.4799923205        4.6266361957        9.1891095309
 Pt        -1.5880925679        5.7031304704       -0.1218853521
 Pt        -1.2212764304        5.4998388512        6.8593334635
 Pt        -2.7310045516        6.3693057197        4.5255193823
 Pt        -0.0772285231        4.8311428444        2.2188027975
 Pt         0.2914705872        4.6212246125        9.2071792198
 Pt         1.1880779315        5.7017780617       -0.1067138690
 Pt         1.5514690844        5.4950968417        6.8798814276
 Pt         0.0430316249        6.3670170155        4.5391547668
 Pt         2.6972416360        4.8318452155        2.2384791900
 Pt         3.0588305742        4.6099363789        9.2212088760
 Pt         3.9614033422        5.6989519909       -0.0857005091
 Pt         4.3261293455        5.5035340145        6.9215799247
 Pt         2.8187138829        6.3679337672        4.5704644494
 Pt         5.4732666832        4.8325521799        2.2385925220
 Pt         5.8530614363        4.6153568076        9.2137388981
 Pt         6.7329636358        5.7005726920       -0.1019467913
 Pt         7.0998573521        5.5010234597        6.8742438089
 Pt         5.5885003330        6.3674846612        4.5815432428
 Pt         8.2499867160        4.8314690216        2.2093684257
 Pt         8.6221686284        4.6304260793        9.1795500474
 Pt         9.5084289527        5.7006123781       -0.1287381104
 Pt         9.8773893420        5.5011948510        6.8456370224
 Pt         8.3670009985        6.3664589778        4.5379422456
 Pt        11.0251875843        4.8325955123        2.1987856390
 Pt        11.3956788139        4.6311075863        9.1773500171
 Pt        12.2849875249        5.7026916722       -0.1296257884
 Pt        12.6527450059        5.5028171333        6.8465799958
 Pt        11.1426120884        6.3685173735        4.5198021521
 Pt        -4.2355415106        7.2360574228        2.1982043746
 Pt        -3.8656332251        7.0326241440        9.1794221479
 Pt        -2.9763644071        8.1071285196       -0.1311634307
 Pt        -2.6089462044        7.9042949621        6.8478501744
 Pt        -4.1175838026        8.7713292599        4.5221928720
 Pt        -1.4628274004        7.2366997046        2.2044595338
 Pt        -1.0947872674        7.0302435279        9.1832863809
 Pt        -0.2000687894        8.1060134273       -0.1239183296
 Pt         0.1638216111        7.9037245363        6.8537578258
 Pt        -1.3414682349        8.7706720626        4.5233469037
 Pt         1.3089366387        7.2343292184        2.2213047847
 Pt         1.6649727681        7.0252982315        9.1971570548
 Pt         2.5739447877        8.1024056186       -0.1038858635
 Pt         2.9357213983        7.9030189449        6.8936654140
 Pt         1.4346952561        8.7668212021        4.5368644797
 Pt         4.0812727564        7.2344257096        2.2459533245
 Pt         4.4563199781        7.0332561593        9.2752650359
 Pt         5.3485863845        8.1002320804       -0.0855568927
 Pt         5.7103533022        7.8995114664        6.9158373333
 Pt         4.2032640327        8.7656321692        4.5686295887
 Pt         6.8585002883        7.2314826191        2.2374546682
 Pt         7.2492071656        7.0343848464        9.2086270399
 Pt         8.1214753981        8.1006351015       -0.1019288065
 Pt         8.4899391254        7.9040954000        6.8597071930
 Pt         6.9715782852        8.7644378795        4.5556665868
 Pt         9.6367551681        7.2331294227        2.2073096090
 Pt        10.0099016416        7.0357094918        9.1793813411
 Pt        10.8979135963        8.1067653842       -0.1251335113
 Pt        11.2652021586        7.9029319282        6.8460736700
 Pt         9.7521308564        8.7719432998        4.5307604453
 Pt        -5.6260447383        9.6379494325        2.2059476914
 Pt        -5.2499222804        9.4369810253        9.1809256589
 Pt        -4.3638147411       10.5090846035       -0.1226180118
 Pt        -3.9951427403       10.3056253843        6.8490798539
 Pt        -5.5053655742       11.1737434294        4.5317886761
 Pt        -2.8495682717        9.6404454165        2.1979988909
 Pt        -2.4779484242        9.4358854475        9.1799087106
 Pt        -1.5882954102       10.5090316739       -0.1369871132
 Pt        -1.2222316769       10.3064826669        6.8469500483
 Pt        -2.7294445077       11.1736313476        4.5237587050
 Pt        -0.0774867450        9.6396222379        2.2014921611
 Pt         0.2932018039        9.4361184711        9.1825767921
 Pt         1.1876389191       10.5069067641       -0.1222283958
 Pt         1.5505342805       10.3070339038        6.8531512112
 Pt         0.0450314848       11.1721306224        4.5240359765
 Pt         2.6966140648        9.6374447256        2.2221139471
 Pt         3.0642677000        9.4527269450        9.1923119984
 Pt         3.9610963891       10.5025967051       -0.1057065860
 Pt         4.3292183495       10.3066085278        6.8756265252
 Pt         2.8177995491       11.1731488045        4.5388507420
 Pt         5.4706410565        9.6350900786        2.2377521774
 Pt         5.8533862121        9.4549024868        9.2124971784
 Pt         6.7332474179       10.5041804964       -0.0972906381
 Pt         7.1032813180       10.3058550999        6.8655243963
 Pt         5.5881467982       11.1713701173        4.5520423501
 Pt         8.2472450075        9.6346228323        2.2193281946
 Pt         8.6231990573        9.4375380238        9.1953330677
 Pt         9.5089579125       10.5079265283       -0.1184522514
 Pt         9.8778405687       10.3050936176        6.8568671774
 Pt         8.3654347607       11.1714427131        4.5413035955
 Pt        -7.0143124013       12.0378917952        2.2159126554
 Pt        -6.6378783832       11.8396672041        9.1857740863
 Pt        -5.7528514826       12.9105792263       -0.1133369659
 Pt        -5.3807333892       12.7078161406        6.8550240775
 Pt        -6.8926304240       13.5764564599        4.5380635699
 Pt        -4.2385518314       12.0424983720        2.2082335961
 Pt        -3.8622365687       11.8385620215        9.1811621124
 Pt        -2.9752640385       12.9120636734       -0.1222721299
 Pt        -2.6069134897       12.7089465601        6.8500467039
 Pt        -4.1173867364       13.5782122953        4.5321829793
 Pt        -1.4632999638       12.0410764917        2.1993241938
 Pt        -1.0894406633       11.8390122670        9.1810678253
 Pt        -0.2004540343       12.9111571802       -0.1287498315
 Pt         0.1656721219       12.7093626721        6.8488133174
 Pt        -1.3433258397       13.5769175828        4.5242584994
 Pt         1.3116246496       12.0409855087        2.2059868091
 Pt         1.6829913684       11.8422115145        9.1842058963
 Pt         2.5752663376       12.9110836451       -0.1210820513
 Pt         2.9405037461       12.7089208316        6.8589708748
 Pt         1.4304650650       13.5771796879        4.5265507101
 Pt         4.0852560401       12.0402803359        2.2194504123
 Pt         4.4591722808       11.8446770824        9.2058570119
 Pt         5.3492227005       12.9075260140       -0.1105099825
 Pt         5.7144559669       12.7091991261        6.8700805944
 Pt         4.2044790191       13.5757859833        4.5404007638
 Pt         6.8591152511       12.0388792565        2.2255457242
 Pt         7.2362313302       11.8392692350        9.1966278245
 Pt         8.1214862206       12.9075771156       -0.1084290017
 Pt         8.4902024835       12.7092172068        6.8631329785
 Pt         6.9796184584       13.5743599211        4.5456422202
  O         4.3591604176        7.1425070325       11.6246009291
  H         5.2427009850        7.5199662518       11.8112788097
  H         4.4349508116        6.1930687278       11.8498840969
     183
 i =       82, E =    -21650.0192167671
 Pt        -0.0780020448        0.0258194947        2.2218719383
 Pt         0.2978370099       -0.1796013259        9.1972133622
 Pt         1.1838179871        0.8956776734       -0.1091327364
 Pt         1.5531096534        0.6914227259        6.8644676088
 Pt         0.0444046550        1.5620110433        4.5464566675
 Pt         2.6985197071        0.0286672046        2.2158818930
 Pt         3.0732701073       -0.1797084557        9.1860227542
 Pt         3.9573891987        0.8957772041       -0.1179788401
 Pt         4.3309661748        0.6946033758        6.8580467098
 Pt         2.8182725195        1.5645889558        4.5429898858
 Pt         5.4728829398        0.0292287154        2.2072890396
 Pt         5.8503542146       -0.1785306962        9.1818798093
 Pt         6.7328452619        0.8957543599       -0.1230636029
 Pt         7.1055167029        0.6937977167        6.8472373989
 Pt         5.5910771697        1.5652221316        4.5326200373
 Pt         8.2488657960        0.0267345299        2.2003912546
 Pt         8.6243291745       -0.1761344441        9.1797423995
 Pt         9.5093153647        0.8980689688       -0.1283480515
 Pt         9.8784211934        0.6929774815        6.8463456422
 Pt         8.3680729790        1.5620061618        4.5217819088
 Pt        11.0227446570        0.0277328708        2.2074589495
 Pt        11.3975964507       -0.1752083918        9.1889820465
 Pt        12.2849966311        0.8967994771       -0.1195947989
 Pt        12.6515880441        0.6937128453        6.8611814741
 Pt        11.1453082448        1.5626565487        4.5296288760
 Pt        13.7964022334        0.0260079732        2.2201663560
 Pt        14.1715853314       -0.1766825611        9.1998026493
 Pt        15.0579357586        0.8958193211       -0.1084005706
 Pt        15.4252834935        0.6929504298        6.8663522918
 Pt        13.9184422188        1.5612417192        4.5419190398
 Pt        -1.4642971167        2.4290854670        2.2202798198
 Pt        -1.0923952422        2.2204359785        9.2001802135
 Pt        -0.2015643712        3.2988662613       -0.1118560821
 Pt         0.1651160302        3.0940169188        6.8717651795
 Pt        -1.3435610715        3.9656253781        4.5403783399
 Pt         1.3091333875        2.4291549342        2.2257881407
 Pt         1.6845347195        2.2191314348        9.1988427627
 Pt         2.5704015987        3.2992572626       -0.0978013868
 Pt         2.9411417296        3.0944727674        6.8703928106
 Pt         1.4291464109        3.9677141834        4.5539896479
 Pt         4.0861789064        2.4299806302        2.2205323146
 Pt         4.4604944768        2.2218971963        9.1992309664
 Pt         5.3471039876        3.3003117412       -0.1015604578
 Pt         5.7157334080        3.0966201231        6.8634681901
 Pt         4.2051117636        3.9732912903        4.5586952175
 Pt         6.8626806562        2.4308091605        2.2090500158
 Pt         7.2356434601        2.2244226989        9.1795012030
 Pt         8.1204152081        3.3012566700       -0.1274332169
 Pt         8.4917969841        3.0971602730        6.8462605753
 Pt         6.9813226538        3.9656218530        4.5395042548
 Pt         9.6364106074        2.4294961153        2.2002267255
 Pt        10.0107447932        2.2264389810        9.1764680504
 Pt        10.8963361140        3.3002903765       -0.1296552412
 Pt        11.2667684931        3.0977417341        6.8496138031
 Pt         9.7576155141        3.9641127217        4.5211983725
 Pt        12.4105566360        2.4301070494        2.2088235139
 Pt        12.7842031881        2.2249496562        9.1907712590
 Pt        13.6723517474        3.3003677713       -0.1189882371
 Pt        14.0396809774        3.0979010383        6.8613345807
 Pt        12.5317307116        3.9644596535        4.5292909577
 Pt        -2.8509559703        4.8335379731        2.2071620954
 Pt        -2.4784555760        4.6259303303        9.1887287248
 Pt        -1.5902918637        5.7039603005       -0.1218041457
 Pt        -1.2197829483        5.4993101196        6.8593375823
 Pt        -2.7307334894        6.3690654928        4.5256310607
 Pt        -0.0783564323        4.8317736616        2.2185361454
 Pt         0.2924909281        4.6212461862        9.2075497508
 Pt         1.1862148610        5.7029123895       -0.1069679057
 Pt         1.5532626686        5.4948039712        6.8792365774
 Pt         0.0434098138        6.3669461999        4.5388462357
 Pt         2.6962092985        4.8322734940        2.2375330058
 Pt         3.0603790448        4.6101877256        9.2205972667
 Pt         3.9596382448        5.6999246591       -0.0876146826
 Pt         4.3275891778        5.5033753116        6.9205434601
 Pt         2.8192745955        6.3679373168        4.5688387895
 Pt         5.4723244815        4.8329900890        2.2376044947
 Pt         5.8547453422        4.6150672158        9.2135070635
 Pt         6.7307017559        5.7017422612       -0.1033619898
 Pt         7.1011978299        5.5003526490        6.8739626120
 Pt         5.5889154321        6.3675325934        4.5798438236
 Pt         8.2487864195        4.8321179090        2.2090206619
 Pt         8.6243076682        4.6292579198        9.1793138464
 Pt         9.5061914065        5.7015146063       -0.1285759655
 Pt         9.8787226596        5.5003396272        6.8457739700
 Pt         8.3673587421        6.3662876598        4.5376946267
 Pt        11.0239660603        4.8331431999        2.1988279337
 Pt        11.3977347999        4.6296087687        9.1770550876
 Pt        12.2827846286        5.7037624670       -0.1297674641
 Pt        12.6541821690        5.5018570119        6.8466412887
 Pt        11.1428072158        6.3683901717        4.5202642245
 Pt        -4.2367172296        7.2366175409        2.1986139637
 Pt        -3.8636448729        7.0316253783        9.1793030654
 Pt        -2.9783703959        8.1083109529       -0.1308319806
 Pt        -2.6076215870        7.9036928874        6.8477936407
 Pt        -4.1175705512        8.7712735830        4.5228621849
 Pt        -1.4641333802        7.2373503003        2.2045792804
 Pt        -1.0931400818        7.0294466800        9.1831101533
 Pt        -0.2020715098        8.1069631889       -0.1235655539
 Pt         0.1652291604        7.9034346793        6.8532686513
 Pt        -1.3415143896        8.7706412471        4.5232854171
 Pt         1.3076434385        7.2351500805        2.2206741889
 Pt         1.6665169531        7.0248014358        9.1962783138
 Pt         2.5720049060        8.1037110980       -0.1046927099
 Pt         2.9372601890        7.9027997279        6.8921394355
 Pt         1.4349426701        8.7670090806        4.5360124657
 Pt         4.0801083355        7.2349230068        2.2438216053
 Pt         4.4583714497        7.0329895754        9.2740136150
 Pt         5.3467114906        8.1013885145       -0.0877538256
 Pt         5.7114359096        7.8989846343        6.9142836334
 Pt         4.2035777232        8.7657596400        4.5664992813
 Pt         6.8574501086        7.2319307720        2.2360995858
 Pt         7.2506113671        7.0331304027        9.2079992536
 Pt         8.1192441790        8.1015830685       -0.1024708413
 Pt         8.4912961218        7.9031595472        6.8594355747
 Pt         6.9720253679        8.7644194074        4.5544741472
 Pt         9.6356208555        7.2338328684        2.2072347434
 Pt        10.0119949221        7.0343894206        9.1792697148
 Pt        10.8957503780        8.1076224681       -0.1247630202
 Pt        11.2666256845        7.9023108391        6.8466531426
 Pt         9.7524883993        8.7716701910        4.5310524013
 Pt        -5.6271069355        9.6386144926        2.2063709790
 Pt        -5.2482301828        9.4359368831        9.1813602275
 Pt        -4.3659120521       10.5099453583       -0.1224371914
 Pt        -3.9940711906       10.3052382114        6.8496359445
 Pt        -5.5051229610       11.1736451861        4.5323110676
 Pt        -2.8510312920        9.6412076327        2.1984733016
 Pt        -2.4763036291        9.4351059584        9.1796521118
 Pt        -1.5902337710       10.5102808069       -0.1365218385
 Pt        -1.2211540537       10.3061947801        6.8468096308
 Pt        -2.7295252783       11.1736669075        4.5241205938
 Pt        -0.0789664565        9.6406480210        2.2014330932
 Pt         0.2950329286        9.4350424417        9.1822217768
 Pt         1.1855982127       10.5081544862       -0.1222800323
 Pt         1.5519570024       10.3064430475        6.8525232999
 Pt         0.0451505062       11.1721923259        4.5238784656
 Pt         2.6953067559        9.6384315682        2.2212337834
 Pt         3.0660012900        9.4515941823        9.1915302898
 Pt         3.9592375325       10.5039943935       -0.1063339085
 Pt         4.3305378645       10.3057573390        6.8743789101
 Pt         2.8182350686       11.1734330857        4.5380311620
 Pt         5.4695478429        9.6357561696        2.2362250552
 Pt         5.8546710138        9.4539499388        9.2115307737
 Pt         6.7312644027       10.5054277512       -0.0978585841
 Pt         7.1046363677       10.3047515109        6.8649603074
 Pt         5.5886429862       11.1713838051        4.5510487567
 Pt         8.2463054290        9.6352828946        2.2190930271
 Pt         8.6248100675        9.4364252214        9.1955228460
 Pt         9.5070617206       10.5088964017       -0.1181854496
 Pt         9.8791527962       10.3041701707        6.8571487777
 Pt         8.3658273696       11.1713812411        4.5412441695
 Pt        -7.0151641785       12.0387368069        2.2158317409
 Pt        -6.6366904685       11.8388829823        9.1860062013
 Pt        -5.7549508882       12.9119563569       -0.1143513441
 Pt        -5.3798298138       12.7074981989        6.8552499666
 Pt        -6.8924178628       13.5764442821        4.5381561683
 Pt        -4.2398668846       12.0432916669        2.2081714466
 Pt        -3.8612376345       11.8377998345        9.1816188529
 Pt        -2.9777025631       12.9129766529       -0.1225223853
 Pt        -2.6059859179       12.7085356268        6.8503711360
 Pt        -4.1172677892       13.5782106342        4.5324470553
 Pt        -1.4649278884       12.0419817178        2.1994946051
 Pt        -1.0881605138       11.8377435080        9.1811012953
 Pt        -0.2027734017       12.9124622792       -0.1288485897
 Pt         0.1669130818       12.7084470181        6.8485078374
 Pt        -1.3431449845       13.5768097988        4.5243105029
 Pt         1.3100380943       12.0420484882        2.2055560624
 Pt         1.6842041638       11.8408200654        9.1842243099
 Pt         2.5730258953       12.9122120271       -0.1214495104
 Pt         2.9420240104       12.7079505855        6.8586354105
 Pt         1.4308822345       13.5770738792        4.5260319808
 Pt         4.0842229206       12.0413789004        2.2187271109
 Pt         4.4604069774       11.8431877296        9.2052415077
 Pt         5.3471649381       12.9088677761       -0.1112122519
 Pt         5.7159779130       12.7082028886        6.8697006311
 Pt         4.2051472108       13.5759921554        4.5398643207
 Pt         6.8581599647       12.0397860980        2.2251795889
 Pt         7.2376228918       11.8384145004        9.1962961328
 Pt         8.1195029702       12.9089813793       -0.1087234470
 Pt         8.4915224023       12.7084216550        6.8633622035
 Pt         6.9801515881       13.5743369236        4.5457651673
  O         4.3598956654        7.1412919803       11.6233892442
  H         5.2427924594        7.5181808992       11.8131443167
  H         4.4343194298        6.1921967125       11.8491271521
     183
 i =       83, E =    -21650.0192515009
 Pt        -0.0800608900        0.0282193741        2.2218561414
 Pt         0.3008183700       -0.1803948905        9.1976100575
 Pt         1.1782305641        0.8997635202       -0.1101629260
 Pt         1.5566475118        0.6910370716        6.8650636567
 Pt         0.0457074258        1.5616763295        4.5474008885
 Pt         2.6959892073        0.0307056362        2.2145932474
 Pt         3.0752035763       -0.1803280886        9.1861905895
 Pt         3.9515445033        0.8995309947       -0.1208933540
 Pt         4.3341540167        0.6938786939        6.8583032223
 Pt         2.8194588785        1.5640688504        4.5425840194
 Pt         5.4692384849        0.0312119660        2.2068597258
 Pt         5.8520045039       -0.1805762525        9.1823415403
 Pt         6.7265768584        0.8984606694       -0.1238716070
 Pt         7.1087626986        0.6921196101        6.8476389388
 Pt         5.5922544525        1.5650061866        4.5325315967
 Pt         8.2450595961        0.0288491442        2.2004161665
 Pt         8.6262234783       -0.1793088126        9.1801098487
 Pt         9.5027897606        0.9013487790       -0.1281864708
 Pt         9.8818865474        0.6899630192        6.8459367523
 Pt         8.3695300522        1.5615886412        4.5217675282
 Pt        11.0198054209        0.0301566930        2.2063216853
 Pt        11.3999134259       -0.1787998377        9.1884927882
 Pt        12.2790229086        0.8998020787       -0.1210467583
 Pt        12.6555265650        0.6908676239        6.8603398621
 Pt        11.1471535381        1.5622796243        4.5285650525
 Pt        13.7942301478        0.0285254027        2.2188134590
 Pt        14.1742914364       -0.1792531620        9.1987991120
 Pt        15.0524372524        0.8993883385       -0.1095667080
 Pt        15.4291903102        0.6913163962        6.8671641064
 Pt        13.9203293052        1.5610886965        4.5412418203
 Pt        -1.4666972710        2.4313200160        2.2192756262
 Pt        -1.0899751778        2.2194110419        9.2006088102
 Pt        -0.2070250676        3.3028295173       -0.1128795098
 Pt         0.1692016937        3.0934819822        6.8724145681
 Pt        -1.3418645281        3.9652198387        4.5401391595
 Pt         1.3067834142        2.4307750331        2.2254797858
 Pt         1.6870826757        2.2198419916        9.1984917601
 Pt         2.5654891730        3.3025112380       -0.0993524302
 Pt         2.9454065857        3.0941763645        6.8689058785
 Pt         1.4308974808        3.9673766894        4.5529654626
 Pt         4.0837551506        2.4313854453        2.2189399131
 Pt         4.4632508813        2.2219437339        9.1973183149
 Pt         5.3425973553        3.3035695157       -0.1041276723
 Pt         5.7197195871        3.0957203668        6.8626359876
 Pt         4.2067557999        3.9731408282        4.5562260614
 Pt         6.8595868251        2.4323821923        2.2084542174
 Pt         7.2384108058        2.2217645729        9.1795513684
 Pt         8.1150258262        3.3043167784       -0.1278641171
 Pt         8.4951914443        3.0947187705        6.8460517581
 Pt         6.9826611277        3.9654217792        4.5387088403
 Pt         9.6332281067        2.4314979250        2.2001789032
 Pt        10.0134112088        2.2225696815        9.1751587089
 Pt        10.8904663951        3.3032614928       -0.1294942276
 Pt        11.2702080918        3.0946379917        6.8486669078
 Pt         9.7590160952        3.9636722452        4.5214731629
 Pt        12.4079469444        2.4323329102        2.2072754734
 Pt        12.7866994143        2.2214451049        9.1893909173
 Pt        13.6663755086        3.3029609282       -0.1211490220
 Pt        14.0436168465        3.0958012238        6.8609251434
 Pt        12.5334612038        3.9640094034        4.5288762109
 Pt        -2.8537875508        4.8352020894        2.2065143689
 Pt        -2.4752546006        4.6237617828        9.1886549863
 Pt        -1.5960648078        5.7065383662       -0.1217811500
 Pt        -1.2157851328        5.4978684428        6.8594408112
 Pt        -2.7298409383        6.3683503097        4.5263784152
 Pt        -0.0807522535        4.8336597412        2.2179912175
 Pt         0.2949279499        4.6211058957        9.2076522399
 Pt         1.1813527786        5.7061977556       -0.1081381844
 Pt         1.5574540052        5.4941934076        6.8770051123
 Pt         0.0446756461        6.3666416339        4.5382022433
 Pt         2.6939725141        4.8336410301        2.2347689311
 Pt         3.0635570271        4.6106127636        9.2181079533
 Pt         3.9550788572        5.7028048065       -0.0922841701
 Pt         4.3314838558        5.5028115085        6.9176117143
 Pt         2.8208857796        6.3680588850        4.5642607917
 Pt         5.4699482801        4.8344588233        2.2342490962
 Pt         5.8590658374        4.6134838834        9.2126299240
 Pt         6.7253899779        5.7050059473       -0.1077187183
 Pt         7.1044853753        5.4987835675        6.8728375227
 Pt         5.5901618997        6.3676882597        4.5757068591
 Pt         8.2456492566        4.8338121979        2.2081652634
 Pt         8.6286107909        4.6260042955        9.1785696709
 Pt         9.5008015639        5.7046028296       -0.1278496341
 Pt         9.8821270098        5.4978482174        6.8456850006
 Pt         8.3681547827        6.3659743259        4.5369557067
 Pt        11.0209253786        4.8350064480        2.1995357379
 Pt        11.4016739963        4.6258336966        9.1758368077
 Pt        12.2770858032        5.7066723579       -0.1291510635
 Pt        12.6579727512        5.4993043463        6.8470660069
 Pt        11.1437602895        6.3679941031        4.5216002287
 Pt        -4.2398652854        7.2382490858        2.2002517647
 Pt        -3.8596292364        7.0288335209        9.1798024799
 Pt        -2.9836390977        8.1114109708       -0.1282456918
 Pt        -2.6041224831        7.9018673918        6.8485804451
 Pt        -4.1172014430        8.7710655244        4.5250485230
 Pt        -1.4672358318        7.2390125728        2.2057377563
 Pt        -1.0897853334        7.0277343018        9.1834994731
 Pt        -0.2072015926        8.1097542360       -0.1221823517
 Pt         0.1685769578        7.9023536623        6.8519055390
 Pt        -1.3411592848        8.7703820019        4.5238755884
 Pt         1.3050556461        7.2372439592        2.2188953844
 Pt         1.6696737182        7.0236970069        9.1929609672
 Pt         2.5670192773        8.1074017943       -0.1078453191
 Pt         2.9408692902        7.9015594834        6.8880830466
 Pt         1.4360475705        8.7676190705        4.5335342701
 Pt         4.0776755036        7.2365461103        2.2381017812
 Pt         4.4628750423        7.0311652932        9.2719048080
 Pt         5.3417376768        8.1048014922       -0.0933199418
 Pt         5.7145881447        7.8974244780        6.9109925406
 Pt         4.2048611527        8.7659689828        4.5611112553
 Pt         6.8546373088        7.2334297616        2.2322888850
 Pt         7.2543546070        7.0289701373        9.2072702814
 Pt         8.1139177242        8.1045544707       -0.1042791487
 Pt         8.4942702107        7.9007831765        6.8591114848
 Pt         6.9732284329        8.7642403714        4.5515332795
 Pt         9.6325543057        7.2355141661        2.2075264770
 Pt        10.0160145595        7.0310047072        9.1786668386
 Pt        10.8907031489        8.1101786180       -0.1234850590
 Pt        11.2702431380        7.9001893600        6.8478303205
 Pt         9.7531320872        8.7712835857        4.5314313090
 Pt        -5.6299881413        9.6405172358        2.2074713497
 Pt        -5.2448975391        9.4330225853        9.1824172005
 Pt        -4.3712508941       10.5123705156       -0.1216616153
 Pt        -3.9911766624       10.3042102101        6.8512304090
 Pt        -5.5046988017       11.1737333142        4.5333246627
 Pt        -2.8546517399        9.6433927808        2.2006422868
 Pt        -2.4727988037        9.4329558610        9.1799783299
 Pt        -1.5955031856       10.5133268924       -0.1345720700
 Pt        -1.2183274782       10.3050913798        6.8467101840
 Pt        -2.7294511781       11.1739344235        4.5256275878
 Pt        -0.0823415959        9.6431498459        2.2021446553
 Pt         0.2987078956        9.4328234346        9.1812516485
 Pt         1.1801290348       10.5117420499       -0.1224366691
 Pt         1.5553133460       10.3048151005        6.8508116555
 Pt         0.0457537768       11.1723912092        4.5236899135
 Pt         2.6927095015        9.6411884165        2.2182012354
 Pt         3.0695296125        9.4486266079        9.1891419124
 Pt         3.9542679467       10.5082831864       -0.1091366357
 Pt         4.3339647866       10.3034579955        6.8712557431
 Pt         2.8197973687       11.1741421784        4.5359260397
 Pt         5.4672523818        9.6376103827        2.2320090875
 Pt         5.8582586837        9.4510613819        9.2089524115
 Pt         6.7264359499       10.5092166965       -0.0996917965
 Pt         7.1081155303       10.3021776585        6.8631110474
 Pt         5.5902290128       11.1712708393        4.5482484447
 Pt         8.2438350685        9.6372637410        2.2178816023
 Pt         8.6281506898        9.4333174395        9.1949784505
 Pt         9.5022144109       10.5118139841       -0.1179280071
 Pt         9.8823729299       10.3020434752        6.8579470404
 Pt         8.3671176269       11.1711754079        4.5408520222
 Pt        -7.0174126169       12.0412437819        2.2151946768
 Pt        -6.6340248200       11.8366163681        9.1867959843
 Pt        -5.7606480851       12.9158997587       -0.1165417511
 Pt        -5.3773040691       12.7066392940        6.8565237946
 Pt        -6.8914981715       13.5759760458        4.5387434781
 Pt        -4.2433330656       12.0455416937        2.2083894116
 Pt        -3.8592345584       11.8357167653        9.1826517208
 Pt        -2.9840014835       12.9156405169       -0.1225984865
 Pt        -2.6034889480       12.7078304557        6.8512564341
 Pt        -4.1168164200       13.5783351456        4.5330240990
 Pt        -1.4689470982       12.0445444726        2.2004883826
 Pt        -1.0855597775       11.8352545121        9.1810575133
 Pt        -0.2091166550       12.9160903296       -0.1284446031
 Pt         0.1701670073       12.7065696963        6.8483220306
 Pt        -1.3423911834       13.5768200355        4.5248631172
 Pt         1.3067257418       12.0446376710        2.2051258104
 Pt         1.6870787273       11.8376888155        9.1839195509
 Pt         2.5669550320       12.9156529660       -0.1223926708
 Pt         2.9458954657       12.7054230955        6.8579470039
 Pt         1.4322911491       13.5769052198        4.5252263494
 Pt         4.0820275169       12.0441853670        2.2166456613
 Pt         4.4636410754       11.8394515332        9.2025739816
 Pt         5.3417965591       12.9127866504       -0.1131988402
 Pt         5.7199572030       12.7055399208        6.8686595069
 Pt         4.2070001778       13.5761519873        4.5386111020
 Pt         6.8563027892       12.0422067589        2.2239169808
 Pt         7.2409757398       11.8360928622        9.1950984650
 Pt         8.1144820570       12.9129669587       -0.1091314989
 Pt         8.4951823962       12.7065109870        6.8640046253
 Pt         6.9815966837       13.5741002022        4.5457862491
  O         4.3601726874        7.1378683260       11.6211574578
  H         5.2418178723        7.5131632790       11.8176084700
  H         4.4332704834        6.1894363524       11.8479692624
     183
 i =       84, E =    -21650.0192669407
 Pt        -0.0805704377        0.0293420994        2.2216265711
 Pt         0.3009933542       -0.1801862693        9.1982984143
 Pt         1.1767327310        0.9017918957       -0.1106486402
 Pt         1.5577828860        0.6910517306        6.8653993233
 Pt         0.0462354828        1.5614349272        4.5474160315
 Pt         2.6953652389        0.0316261459        2.2138732729
 Pt         3.0746221048       -0.1800088957        9.1869677405
 Pt         3.9503069163        0.9005429708       -0.1216625727
 Pt         4.3348412985        0.6938886069        6.8582809653
 Pt         2.8200637291        1.5638817991        4.5421865729
 Pt         5.4684693113        0.0319191811        2.2067087270
 Pt         5.8508011416       -0.1805850383        9.1825483429
 Pt         6.7253972515        0.8994706591       -0.1240857862
 Pt         7.1094288646        0.6920780232        6.8481636900
 Pt         5.5928093378        1.5649994435        4.5322683173
 Pt         8.2444510050        0.0297550517        2.2009385879
 Pt         8.6253286242       -0.1795145083        9.1807732284
 Pt         9.5013757149        0.9023152587       -0.1279712225
 Pt         9.8826581445        0.6894808157        6.8463345894
 Pt         8.3700036919        1.5617443571        4.5220434086
 Pt        11.0192686239        0.0307500019        2.2060851744
 Pt        11.3996973743       -0.1789643339        9.1883105109
 Pt        12.2774140490        0.9009445172       -0.1218935738
 Pt        12.6565826604        0.6903191082        6.8598844755
 Pt        11.1476831124        1.5621971702        4.5282490655
 Pt        13.7938220766        0.0294423655        2.2181547250
 Pt        14.1745416505       -0.1790299256        9.1977877875
 Pt        15.0507312530        0.9013385433       -0.1103868164
 Pt        15.4304085704        0.6912336354        6.8670165886
 Pt        13.9208174642        1.5610701647        4.5406310595
 Pt        -1.4671753475        2.4322170846        2.2187654689
 Pt        -1.0899096421        2.2196251607        9.2005336588
 Pt        -0.2086034675        3.3044962510       -0.1133222850
 Pt         0.1703686685        3.0934155712        6.8722015139
 Pt        -1.3412709026        3.9648923906        4.5398601856
 Pt         1.3062910120        2.4315689545        2.2251625816
 Pt         1.6869985041        2.2206501715        9.1983459007
 Pt         2.5642625682        3.3040162854       -0.1001343244
 Pt         2.9463600008        3.0943273978        6.8678119562
 Pt         1.4315216675        3.9670528725        4.5521157493
 Pt         4.0832432372        2.4320282500        2.2179557701
 Pt         4.4628655162        2.2226681721        9.1961586005
 Pt         5.3415148371        3.3045410760       -0.1056901070
 Pt         5.7205615656        3.0957884820        6.8615610937
 Pt         4.2074077222        3.9732862820        4.5547532110
 Pt         6.8588067468        2.4330284919        2.2080221576
 Pt         7.2375757623        2.2212232715        9.1796825780
 Pt         8.1141321237        3.3053696167       -0.1276107399
 Pt         8.4956871817        3.0942046544        6.8461552126
 Pt         6.9830915823        3.9656384814        4.5379360011
 Pt         9.6326597166        2.4323969369        2.2006834074
 Pt        10.0127018871        2.2219296183        9.1752128174
 Pt        10.8891796608        3.3044361052       -0.1291516002
 Pt        11.2708004990        3.0938566396        6.8482335085
 Pt         9.7594037796        3.9638080539        4.5219581336
 Pt        12.4073651348        2.4330193800        2.2066293056
 Pt        12.7863735446        2.2212572457        9.1884011032
 Pt        13.6647368531        3.3040170113       -0.1221716361
 Pt        14.0446947425        3.0954080318        6.8606293273
 Pt        12.5339992952        3.9639137043        4.5287209550
 Pt        -2.8542389461        4.8357863694        2.2063834241
 Pt        -2.4756944302        4.6233803600        9.1889101694
 Pt        -1.5974249401        5.7073537633       -0.1219851810
 Pt        -1.2149439147        5.4974330774        6.8596596843
 Pt        -2.7293321917        6.3682334123        4.5269925574
 Pt        -0.0810164398        4.8342534605        2.2176446885
 Pt         0.2947055591        4.6216061062        9.2070065920
 Pt         1.1800803843        5.7077370558       -0.1092893753
 Pt         1.5582797209        5.4942759537        6.8755158500
 Pt         0.0452650089        6.3665476228        4.5377124615
 Pt         2.6936759129        4.8342963628        2.2335475809
 Pt         3.0631488547        4.6114696616        9.2162848731
 Pt         3.9540685120        5.7040689437       -0.0938223740
 Pt         4.3322829273        5.5028882226        6.9160578312
 Pt         2.8215120458        6.3683214716        4.5623604676
 Pt         5.4694742847        4.8351180914        2.2324735291
 Pt         5.8590419716        4.6132028935        9.2116691373
 Pt         6.7243961570        5.7065343138       -0.1096644415
 Pt         7.1050472711        5.4986079758        6.8721940722
 Pt         5.5905488447        6.3679778249        4.5743140982
 Pt         8.2446973612        4.8346483734        2.2082043011
 Pt         8.6281391304        4.6250277050        9.1784657681
 Pt         9.4998164878        5.7058841428       -0.1270161576
 Pt         9.8827191702        5.4971648884        6.8458544141
 Pt         8.3684942320        6.3661958925        4.5369807963
 Pt        11.0202052203        4.8358148884        2.2006146185
 Pt        11.4010700489        4.6251112761        9.1754827333
 Pt        12.2758689016        5.7074394790       -0.1282367993
 Pt        12.6587392476        5.4985800608        6.8474921535
 Pt        11.1441366321        6.3683258617        4.5225500056
 Pt        -4.2407438302        7.2390157319        2.2017106422
 Pt        -3.8601714781        7.0281093110        9.1806406060
 Pt        -2.9846419009        8.1118934941       -0.1266362239
 Pt        -2.6035764036        7.9013943572        6.8494779968
 Pt        -4.1169907725        8.7714475284        4.5262555705
 Pt        -1.4676844901        7.2394228535        2.2063831586
 Pt        -1.0904668077        7.0278699958        9.1840314058
 Pt        -0.2082625987        8.1106318370       -0.1214448121
 Pt         0.1690386752        7.9021811595        6.8513432027
 Pt        -1.3408437242        8.7704800793        4.5245280124
 Pt         1.3049762130        7.2379316293        2.2180751122
 Pt         1.6692406493        7.0244835773        9.1912838850
 Pt         2.5659290928        8.1088918503       -0.1095808195
 Pt         2.9417577435        7.9013299742        6.8864440887
 Pt         1.4368356629        8.7681775750        4.5323487955
 Pt         4.0774571688        7.2374256997        2.2360925700
 Pt         4.4628067810        7.0303687676        9.2716057632
 Pt         5.3406276823        8.1063439609       -0.0951218358
 Pt         5.7151330662        7.8971673392        6.9102504655
 Pt         4.2055101997        8.7662206806        4.5594204404
 Pt         6.8540252320        7.2341317350        2.2309278494
 Pt         7.2543048527        7.0282943917        9.2075568005
 Pt         8.1130542271        8.1058419878       -0.1050575822
 Pt         8.4948605975        7.9003901036        6.8589342270
 Pt         6.9735883777        8.7642844789        4.5505236840
 Pt         9.6315754518        7.2363144811        2.2080231488
 Pt        10.0155603482        7.0301897899        9.1785086090
 Pt        10.8898156956        8.1111336888       -0.1226488419
 Pt        11.2709263380        7.8996449909        6.8484426469
 Pt         9.7533879899        8.7714341113        4.5316779125
 Pt        -5.6309175953        9.6412546600        2.2077592704
 Pt        -5.2455597837        9.4322651909        9.1826088754
 Pt        -4.3724142848       10.5131282342       -0.1212119385
 Pt        -3.9906078158       10.3039981316        6.8520403429
 Pt        -5.5044026625       11.1738090904        4.5335169500
 Pt        -2.8555286487        9.6441341750        2.2020622607
 Pt        -2.4734885600        9.4326404654        9.1805935677
 Pt        -1.5970125692       10.5144085554       -0.1326862739
 Pt        -1.2179229804       10.3050824129        6.8469892308
 Pt        -2.7292459187       11.1744241475        4.5264698700
 Pt        -0.0828104729        9.6437737704        2.2026447788
 Pt         0.2980014966        9.4332008745        9.1807395830
 Pt         1.1786629464       10.5128628459       -0.1223309948
 Pt         1.5557860482       10.3045297480        6.8500402158
 Pt         0.0461506319       11.1728115684        4.5239625546
 Pt         2.6927047486        9.6420989781        2.2166943711
 Pt         3.0691174601        9.4484495846        9.1878924650
 Pt         3.9529588629       10.5101006601       -0.1108862805
 Pt         4.3345594440       10.3028114441        6.8701902926
 Pt         2.8206032055       11.1745484825        4.5350748704
 Pt         5.4670734024        9.6385380417        2.2304463889
 Pt         5.8583942502        9.4504690298        9.2077862607
 Pt         6.7254393993       10.5108449682       -0.1008096358
 Pt         7.1089814137       10.3019447110        6.8621609001
 Pt         5.5909324816       11.1713340716        4.5472914433
 Pt         8.2432951089        9.6380850780        2.2170990121
 Pt         8.6277139613        9.4326600919        9.1942640258
 Pt         9.5012120244       10.5129821665       -0.1184157430
 Pt         9.8832035613       10.3018035973        6.8579205155
 Pt         8.3675981421       11.1713365605        4.5403227699
 Pt        -7.0179195165       12.0421695049        2.2146003778
 Pt        -6.6344753037       11.8362360656        9.1872192189
 Pt        -5.7618984848       12.9169227203       -0.1170435713
 Pt        -5.3766074739       12.7066375927        6.8569397592
 Pt        -6.8910261249       13.5759953141        4.5388011243
 Pt        -4.2442349899       12.0463597645        2.2084437812
 Pt        -3.8601908068       11.8353537707        9.1827435252
 Pt        -2.9854428947       12.9165520004       -0.1223120705
 Pt        -2.6029724124       12.7079915704        6.8517753620
 Pt        -4.1163925217       13.5784464823        4.5331937888
 Pt        -1.4697320852       12.0455199055        2.2014241169
 Pt        -1.0865233845       11.8353961847        9.1808647242
 Pt        -0.2107592755       12.9169423706       -0.1277732126
 Pt         0.1707944281       12.7066333642        6.8487463209
 Pt        -1.3418814569       13.5772453887        4.5253898420
 Pt         1.3063435284       12.0454448638        2.2052523152
 Pt         1.6866060616       11.8376809009        9.1835455065
 Pt         2.5652345699       12.9169267198       -0.1228529934
 Pt         2.9467705730       12.7049328957        6.8578308296
 Pt         1.4329338122       13.5771361545        4.5256009725
 Pt         4.0819992291       12.0449631327        2.2156517977
 Pt         4.4638451501       11.8391135138        9.2009840944
 Pt         5.3403279402       12.9146519703       -0.1144653936
 Pt         5.7209654699       12.7051921293        6.8679090344
 Pt         4.2077197641       13.5763247927        4.5379621307
 Pt         6.8559857214       12.0432947412        2.2230994284
 Pt         7.2409119171       11.8359281364        9.1943922957
 Pt         8.1132151509       12.9149384318       -0.1099619841
 Pt         8.4962413323       12.7064790663        6.8640974127
 Pt         6.9821684097       13.5741968307        4.5455265827
  O         4.3600379550        7.1355499989       11.6204679484
  H         5.2411923073        7.5102529061       11.8184696901
  H         4.4330011381        6.1874002772       11.8476490734
     183
 i =       85, E =    -21650.0192831782
 Pt        -0.0814040047        0.0304466226        2.2204074883
 Pt         0.3019565113       -0.1806249950        9.1988608269
 Pt         1.1749471903        0.9038721448       -0.1114898031
 Pt         1.5592669347        0.6905711474        6.8652385970
 Pt         0.0468822401        1.5611834608        4.5464066605
 Pt         2.6943830784        0.0328252086        2.2129077614
 Pt         3.0748059559       -0.1802538046        9.1876600986
 Pt         3.9485844418        0.9019532686       -0.1220505979
 Pt         4.3357410058        0.6935180169        6.8580520371
 Pt         2.8208844260        1.5636992208        4.5412931615
 Pt         5.4677610448        0.0328580037        2.2065172868
 Pt         5.8500905794       -0.1807479548        9.1827152188
 Pt         6.7239969761        0.9009885961       -0.1242285140
 Pt         7.1103157143        0.6920584232        6.8486371098
 Pt         5.5934375298        1.5651966921        4.5315022437
 Pt         8.2440396916        0.0308194486        2.2013478690
 Pt         8.6250959901       -0.1796628049        9.1814912698
 Pt         9.4997771216        0.9034758545       -0.1279707289
 Pt         9.8836651927        0.6893242949        6.8469788281
 Pt         8.3704381344        1.5621649296        4.5223369754
 Pt        11.0188028689        0.0313038566        2.2058022562
 Pt        11.4003669204       -0.1789357238        9.1877728486
 Pt        12.2752386556        0.9026530235       -0.1229416578
 Pt        12.6577378661        0.6898962048        6.8591531385
 Pt        11.1478835080        1.5622555825        4.5279115789
 Pt        13.7930977049        0.0303756182        2.2169779232
 Pt        14.1757374295       -0.1788127020        9.1965204667
 Pt        15.0485354265        0.9036424348       -0.1115324477
 Pt        15.4319563565        0.6910162824        6.8662454773
 Pt        13.9211445399        1.5609955385        4.5397733322
 Pt        -1.4679329196        2.4332153034        2.2180075202
 Pt        -1.0888078637        2.2193624780        9.1998775949
 Pt        -0.2105676270        3.3063221004       -0.1141954019
 Pt         0.1717503847        3.0929678249        6.8712857219
 Pt        -1.3407144262        3.9646767052        4.5393282196
 Pt         1.3057350216        2.4326091446        2.2240307942
 Pt         1.6877517672        2.2205238442        9.1979496618
 Pt         2.5622543994        3.3064111151       -0.1016405438
 Pt         2.9472815230        3.0940382739        6.8661776290
 Pt         1.4320909860        3.9668275976        4.5506056991
 Pt         4.0825152850        2.4330820313        2.2164358454
 Pt         4.4628389945        2.2226018329        9.1951251529
 Pt         5.3393896140        3.3061689044       -0.1078349748
 Pt         5.7212534465        3.0954588146        6.8600111068
 Pt         4.2079541301        3.9734013591        4.5528200874
 Pt         6.8579050033        2.4340056405        2.2072369010
 Pt         7.2371226367        2.2205181611        9.1798322444
 Pt         8.1126877181        3.3068124622       -0.1273326075
 Pt         8.4962680417        3.0937696259        6.8462094952
 Pt         6.9834501102        3.9660686745        4.5365532450
 Pt         9.6319210567        2.4335435589        2.2010476109
 Pt        10.0124641987        2.2212736027        9.1757372589
 Pt        10.8874913581        3.3059591074       -0.1288587436
 Pt        11.2714864168        3.0931765862        6.8480292421
 Pt         9.7596616211        3.9641169182        4.5224568959
 Pt        12.4065720271        2.4337845068        2.2062433731
 Pt        12.7868168408        2.2212096082        9.1873111924
 Pt        13.6625681446        3.3058244479       -0.1228847936
 Pt        14.0459032773        3.0949674253        6.8600202506
 Pt        12.5343087868        3.9640048422        4.5284760567
 Pt        -2.8547526689        4.8366618262        2.2065629385
 Pt        -2.4756178168        4.6226785204        9.1889129261
 Pt        -1.5991415307        5.7088372382       -0.1226054723
 Pt        -1.2139754867        5.4968991926        6.8594378763
 Pt        -2.7287032594        6.3684025935        4.5274928308
 Pt        -0.0812462899        4.8351634589        2.2167334876
 Pt         0.2952690769        4.6215590991        9.2055053150
 Pt         1.1782144633        5.7097164797       -0.1113858847
 Pt         1.5589532096        5.4942208425        6.8737025142
 Pt         0.0459127352        6.3666324831        4.5368681217
 Pt         2.6932748024        4.8353110083        2.2318899688
 Pt         3.0632078531        4.6117322825        9.2139780629
 Pt         3.9522853399        5.7062507073       -0.0954599642
 Pt         4.3330536317        5.5026261924        6.9140548446
 Pt         2.8219684382        6.3686081854        4.5603204786
 Pt         5.4687343725        4.8361864094        2.2302493886
 Pt         5.8589064578        4.6126068710        9.2098669440
 Pt         6.7232378892        5.7083665763       -0.1113027348
 Pt         7.1057798081        5.4983310934        6.8712940079
 Pt         5.5909852824        6.3681850686        4.5730011697
 Pt         8.2436238055        4.8358770411        2.2080857270
 Pt         8.6274784571        4.6238201771        9.1785231142
 Pt         9.4985567495        5.7074698266       -0.1263481128
 Pt         9.8833384177        5.4963910985        6.8461866149
 Pt         8.3688529619        6.3665788976        4.5369714379
 Pt        11.0192846529        4.8369652279        2.2017708871
 Pt        11.4004030660        4.6242529631        9.1755592926
 Pt        12.2742948647        5.7085399479       -0.1270489639
 Pt        12.6594943432        5.4977162559        6.8478503443
 Pt        11.1447121992        6.3688256443        4.5235186979
 Pt        -4.2416980076        7.2399734491        2.2029748179
 Pt        -3.8608242008        7.0269322546        9.1816320927
 Pt        -2.9861464660        8.1125577253       -0.1252746089
 Pt        -2.6029728413        7.9006574504        6.8504594563
 Pt        -4.1163404660        8.7719810250        4.5274175247
 Pt        -1.4680212439        7.2400199215        2.2067566493
 Pt        -1.0908829224        7.0277422329        9.1842308732
 Pt        -0.2099411857        8.1119324723       -0.1214909422
 Pt         0.1695639593        7.9017910081        6.8505934062
 Pt        -1.3401703794        8.7708195458        4.5252263431
 Pt         1.3050071648        7.2386547892        2.2166074776
 Pt         1.6692488427        7.0252389383        9.1894301378
 Pt         2.5642385106        8.1109041498       -0.1119818084
 Pt         2.9425067220        7.9008330517        6.8848195941
 Pt         1.4376109349        8.7685609115        4.5311831911
 Pt         4.0772581884        7.2386372539        2.2342792897
 Pt         4.4630967536        7.0293756312        9.2709844814
 Pt         5.3390127175        8.1088006951       -0.0967207175
 Pt         5.7160836423        7.8966934158        6.9094378241
 Pt         4.2062178697        8.7665035726        4.5579016708
 Pt         6.8532371171        7.2352499008        2.2296818652
 Pt         7.2544892603        7.0278189860        9.2073938615
 Pt         8.1118369844        8.1080289713       -0.1061120523
 Pt         8.4957230547        7.9001339163        6.8587595464
 Pt         6.9740386935        8.7643773428        4.5497046893
 Pt         9.6304339498        7.2374624216        2.2084620075
 Pt        10.0149575483        7.0291184425        9.1787795180
 Pt        10.8885328141        8.1126210115       -0.1219394741
 Pt        11.2715921564        7.8988886968        6.8489607377
 Pt         9.7537000099        8.7718772329        4.5317492238
 Pt        -5.6322123338        9.6422860178        2.2078127267
 Pt        -5.2461902344        9.4312217595        9.1826558296
 Pt        -4.3741117839       10.5142933814       -0.1209551787
 Pt        -3.9897492208       10.3035003215        6.8524836289
 Pt        -5.5040068118       11.1740908499        4.5331308430
 Pt        -2.8563901594        9.6447162124        2.2032533192
 Pt        -2.4742362771        9.4319511315        9.1814426180
 Pt        -1.5990642475       10.5154755744       -0.1307774781
 Pt        -1.2172876973       10.3047007288        6.8474898706
 Pt        -2.7286254460       11.1749968720        4.5272970855
 Pt        -0.0830274858        9.6442590086        2.2030920655
 Pt         0.2972397021        9.4336597176        9.1800889119
 Pt         1.1766344624       10.5141530718       -0.1225732672
 Pt         1.5563508397       10.3041554328        6.8491241180
 Pt         0.0468168968       11.1733914906        4.5243835542
 Pt         2.6927839277        9.6430395822        2.2147357439
 Pt         3.0688889666        9.4484937315        9.1862175625
 Pt         3.9509990548       10.5124885406       -0.1135196406
 Pt         4.3354286176       10.3023406462        6.8690687152
 Pt         2.8214277156       11.1747924237        4.5341144666
 Pt         5.4668623329        9.6398571651        2.2289076938
 Pt         5.8588202985        9.4497521938        9.2063868888
 Pt         6.7238334582       10.5133699222       -0.1026331194
 Pt         7.1101166789       10.3020331850        6.8610589266
 Pt         5.5916866910       11.1715503078        4.5461515376
 Pt         8.2423304262        9.6393365881        2.2159831689
 Pt         8.6276399886        9.4319295802        9.1933069549
 Pt         9.4994107682       10.5149420230       -0.1196476654
 Pt         9.8842717982       10.3018054294        6.8575786001
 Pt         8.3681650186       11.1716679579        4.5393452529
 Pt        -7.0190994046       12.0433320658        2.2135376781
 Pt        -6.6343882984       11.8356861637        9.1872015245
 Pt        -5.7638834646       12.9183060018       -0.1174503128
 Pt        -5.3754220393       12.7064139833        6.8569089687
 Pt        -6.8902627437       13.5761360708        4.5380434965
 Pt        -4.2452351736       12.0472818624        2.2084489052
 Pt        -3.8608214296       11.8347041885        9.1825483042
 Pt        -2.9871118843       12.9179384538       -0.1220911238
 Pt        -2.6020488802       12.7079111687        6.8520746423
 Pt        -4.1157165050       13.5785789629        4.5328650319
 Pt        -1.4702069909       12.0464137821        2.2024091283
 Pt        -1.0873424649       11.8355130977        9.1808022302
 Pt        -0.2126488791       12.9178225564       -0.1269764121
 Pt         0.1716781818       12.7067261952        6.8494023158
 Pt        -1.3411272054       13.5778985533        4.5260547255
 Pt         1.3062174184       12.0461885870        2.2053802525
 Pt         1.6865743265       11.8378777332        9.1827149189
 Pt         2.5630887012       12.9184368857       -0.1236556915
 Pt         2.9477531725       12.7045712787        6.8573903491
 Pt         1.4336875898       13.5775758179        4.5261849584
 Pt         4.0818157697       12.0458021719        2.2140231682
 Pt         4.4645790162       11.8392257717        9.1993192404
 Pt         5.3385132383       12.9168349471       -0.1159828264
 Pt         5.7221757901       12.7049874852        6.8668558840
 Pt         4.2083558923       13.5763616528        4.5370644310
 Pt         6.8554463874       12.0446136136        2.2215421576
 Pt         7.2414515304       11.8355402943        9.1934912701
 Pt         8.1113572086       12.9174055501       -0.1115866227
 Pt         8.4976128106       12.7066285633        6.8634688046
 Pt         6.9828268401       13.5743704363        4.5443941011
  O         4.3598517770        7.1337192731       11.6205553250
  H         5.2402473731        7.5085805977       11.8201193640
  H         4.4321756442        6.1860894973       11.8493206690
     183
 i =       86, E =    -21650.0192964990
 Pt        -0.0814188233        0.0310854407        2.2189788662
 Pt         0.3014805709       -0.1806675392        9.1988132305
 Pt         1.1751164318        0.9050128378       -0.1122987424
 Pt         1.5594687558        0.6903915335        6.8645441089
 Pt         0.0473398675        1.5612261063        4.5448654003
 Pt         2.6946094797        0.0333783610        2.2124672079
 Pt         3.0738177543       -0.1804090433        9.1879833487
 Pt         3.9487214091        0.9029226100       -0.1216653167
 Pt         4.3355251541        0.6933570952        6.8577042185
 Pt         2.8215285650        1.5638249404        4.5403020156
 Pt         5.4684059403        0.0331443211        2.2066404344
 Pt         5.8484844546       -0.1804701198        9.1829561361
 Pt         6.7243768110        0.9019326027       -0.1237780516
 Pt         7.1100213902        0.6924303444        6.8492804916
 Pt         5.5939439370        1.5654713074        4.5309968008
 Pt         8.2448868446        0.0312374368        2.2020576706
 Pt         8.6237517412       -0.1790705084        9.1821939002
 Pt         9.5000968674        0.9040578076       -0.1275971524
 Pt         9.8833410304        0.6900256947        6.8478198225
 Pt         8.3706078933        1.5627652899        4.5229336262
 Pt        11.0193582397        0.0315056114        2.2058463858
 Pt        11.3997398005       -0.1780062261        9.1872789596
 Pt        12.2750854551        0.9037703643       -0.1234063395
 Pt        12.6576181457        0.6902734069        6.8586181884
 Pt        11.1478276201        1.5625389518        4.5281928455
 Pt        13.7931858811        0.0309438458        2.2159793630
 Pt        14.1754676925       -0.1779702008        9.1955895000
 Pt        15.0483610331        0.9049809152       -0.1124823480
 Pt        15.4321787841        0.6913531898        6.8649394116
 Pt        13.9211764359        1.5611227318        4.5388957561
 Pt        -1.4676934042        2.4337470883        2.2173409484
 Pt        -1.0889910602        2.2195394521        9.1987736378
 Pt        -0.2107178650        3.3072726899       -0.1150656825
 Pt         0.1717354625        3.0927824717        6.8698954542
 Pt        -1.3404935926        3.9647239111        4.5386172940
 Pt         1.3060874217        2.4333261376        2.2227327049
 Pt         1.6871778929        2.2203259216        9.1972596312
 Pt         2.5617622388        3.3086406692       -0.1029302764
 Pt         2.9468858749        3.0939482237        6.8648083809
 Pt         1.4323211184        3.9667768554        4.5492589044
 Pt         4.0827724863        2.4338845404        2.2153576514
 Pt         4.4614190538        2.2224278237        9.1947377333
 Pt         5.3388615453        3.3073039195       -0.1088114479
 Pt         5.7205153066        3.0953663241        6.8589869949
 Pt         4.2081854133        3.9735660829        4.5515088733
 Pt         6.8581507186        2.4345993648        2.2070275300
 Pt         7.2353542489        2.2206335667        9.1801684317
 Pt         8.1128223135        3.3076701431       -0.1267079052
 Pt         8.4956095949        3.0941212778        6.8467496737
 Pt         6.9836119523        3.9665712058        4.5358730917
 Pt         9.6322847712        2.4341329916        2.2017140737
 Pt        10.0109833846        2.2215997778        9.1768034672
 Pt        10.8876641230        3.3068049496       -0.1282103430
 Pt        11.2709987439        3.0933916649        6.8485388142
 Pt         9.7596667674        3.9646845261        4.5232326955
 Pt        12.4067608880        2.4341626056        2.2063477033
 Pt        12.7860927770        2.2219129311        9.1868307411
 Pt        13.6625389711        3.3070287371       -0.1227700035
 Pt        14.0457973379        3.0949786010        6.8595191996
 Pt        12.5343478381        3.9642330245        4.5287433303
 Pt        -2.8542055265        4.8371160206        2.2069674593
 Pt        -2.4768806723        4.6226240313        9.1886783630
 Pt        -1.5988732625        5.7097800786       -0.1230184466
 Pt        -1.2143853466        5.4967390037        6.8590025815
 Pt        -2.7281319720        6.3687983779        4.5279586992
 Pt        -0.0806267116        4.8356293346        2.2158034885
 Pt         0.2945408002        4.6217432552        9.2038254677
 Pt         1.1781115933        5.7108133040       -0.1128441728
 Pt         1.5583360622        5.4943633914        6.8724572928
 Pt         0.0463583999        6.3668429393        4.5359943078
 Pt         2.6937683083        4.8360858790        2.2309000998
 Pt         3.0618641798        4.6119223592        9.2122244249
 Pt         3.9520672228        5.7084616277       -0.0958192031
 Pt         4.3324931005        5.5026250441        6.9126826726
 Pt         2.8222457577        6.3687678093        4.5595868927
 Pt         5.4690128801        4.8370328544        2.2292762846
 Pt         5.8570366707        4.6125894722        9.2082141793
 Pt         6.7238015401        5.7096864074       -0.1111294874
 Pt         7.1053608440        5.4984961875        6.8707098897
 Pt         5.5912805760        6.3684018833        4.5726365940
 Pt         8.2438646187        4.8367487723        2.2084776997
 Pt         8.6251206331        4.6236102325        9.1792051598
 Pt         9.4989570126        5.7085650465       -0.1254823228
 Pt         9.8827979745        5.4964814920        6.8470676219
 Pt         8.3693044241        6.3671581610        4.5373578199
 Pt        11.0195662733        4.8375683150        2.2028801299
 Pt        11.3982871553        4.6242110730        9.1764086167
 Pt        12.2745389910        5.7092517166       -0.1258639271
 Pt        12.6589276380        5.4975456671        6.8483413125
 Pt        11.1451675272        6.3695206792        4.5245560202
 Pt        -4.2414351978        7.2404654565        2.2039693036
 Pt        -3.8630942617        7.0264082695        9.1824599086
 Pt        -2.9860921844        8.1129908605       -0.1244719747
 Pt        -2.6036589762        7.9004607621        6.8512181109
 Pt        -4.1156204838        8.7725204945        4.5280608554
 Pt        -1.4672569257        7.2402897388        2.2068049202
 Pt        -1.0926896157        7.0280420405        9.1839551112
 Pt        -0.2099253570        8.1126189524       -0.1219837219
 Pt         0.1689645772        7.9017125962        6.8502698820
 Pt        -1.3393688192        8.7712967523        4.5259261222
 Pt         1.3059943847        7.2391081286        2.2155907610
 Pt         1.6678746116        7.0262837528        9.1885009351
 Pt         2.5643607798        8.1120240093       -0.1130529943
 Pt         2.9422695517        7.9009323367        6.8843349510
 Pt         1.4383222256        8.7686705105        4.5307175061
 Pt         4.0780447017        7.2395577838        2.2340615227
 Pt         4.4616113628        7.0295673540        9.2706231796
 Pt         5.3391499024        8.1109706419       -0.0966012644
 Pt         5.7159690538        7.8968969992        6.9092090081
 Pt         4.2067853761        8.7666454608        4.5578156055
 Pt         6.8536614765        7.2362674084        2.2297106017
 Pt         7.2529484530        7.0282520613        9.2070908999
 Pt         8.1120454661        8.1101091731       -0.1065946582
 Pt         8.4955829011        7.9006585568        6.8588134814
 Pt         6.9744611985        8.7647112250        4.5497221575
 Pt         9.6305626145        7.2383112963        2.2090677009
 Pt        10.0126718695        7.0288728692        9.1796901050
 Pt        10.8887435227        8.1137049234       -0.1212502269
 Pt        11.2710639538        7.8988438021        6.8496108800
 Pt         9.7542447601        8.7724795957        4.5319665317
 Pt        -5.6322596546        9.6429421591        2.2079030332
 Pt        -5.2483287689        9.4308830748        9.1826704154
 Pt        -4.3741254420       10.5151321306       -0.1205480324
 Pt        -3.9899786408       10.3033666483        6.8526701537
 Pt        -5.5033797047       11.1744619502        4.5326708434
 Pt        -2.8559188716        9.6449118226        2.2040900914
 Pt        -2.4765812990        9.4317691411        9.1821124165
 Pt        -1.5992272395       10.5156614076       -0.1296811976
 Pt        -1.2176714318       10.3046606950        6.8481896344
 Pt        -2.7277737246       11.1754478553        4.5277156185
 Pt        -0.0820468263        9.6442724260        2.2034143959
 Pt         0.2949951193        9.4346128187        9.1796314585
 Pt         1.1765007109       10.5147065769       -0.1226791828
 Pt         1.5559581111       10.3042719433        6.8487680875
 Pt         0.0476568201       11.1739050361        4.5251369605
 Pt         2.6938000405        9.6435819406        2.2136988906
 Pt         3.0671729395        9.4495790774        9.1851965567
 Pt         3.9509125545       10.5135509569       -0.1148796246
 Pt         4.3353720418       10.3028329414        6.8686015500
 Pt         2.8220971820       11.1747771631        4.5336475587
 Pt         5.4674676744        9.6407842951        2.2285218330
 Pt         5.8574202404        9.4501997774        9.2056160119
 Pt         6.7234032469       10.5157754813       -0.1042580462
 Pt         7.1101073751       10.3028737850        6.8606142482
 Pt         5.5922152169       11.1718132429        4.5456398685
 Pt         8.2424182500        9.6402152069        2.2154054115
 Pt         8.6260129248        9.4321304917        9.1929026021
 Pt         9.4992341486       10.5163598041       -0.1207065038
 Pt         9.8841722730       10.3024244050        6.8571375341
 Pt         8.3686348065       11.1721292640        4.5385518206
 Pt        -7.0192053077       12.0440779551        2.2125535580
 Pt        -6.6356750355       11.8357119452        9.1868362477
 Pt        -5.7638374694       12.9191862137       -0.1174190588
 Pt        -5.3752518487       12.7064863282        6.8564476073
 Pt        -6.8895755936       13.5765409588        4.5369581023
 Pt        -4.2448499830       12.0475852388        2.2084701541
 Pt        -3.8626000247       11.8345381105        9.1822933083
 Pt        -2.9867844652       12.9187585023       -0.1215464604
 Pt        -2.6020453803       12.7079475439        6.8523288688
 Pt        -4.1148619053       13.5787147956        4.5325143232
 Pt        -1.4693021067       12.0465408173        2.2032966818
 Pt        -1.0894726065       11.8360468975        9.1810705619
 Pt        -0.2125851162       12.9181490072       -0.1259482223
 Pt         0.1714228878       12.7072922376        6.8502649574
 Pt        -1.3403311288       13.5785029336        4.5267463748
 Pt         1.3072213309       12.0463504962        2.2057308261
 Pt         1.6850657434       11.8389288078        9.1819400383
 Pt         2.5630215889       12.9191379846       -0.1240839547
 Pt         2.9475280141       12.7049786806        6.8569985342
 Pt         1.4342576872       13.5780601631        4.5270157300
 Pt         4.0823369043       12.0462375035        2.2129020928
 Pt         4.4636013903       11.8403408209        9.1984239637
 Pt         5.3383792402       12.9182900638       -0.1171736428
 Pt         5.7221988840       12.7057512514        6.8658663383
 Pt         4.2087149899       13.5764608916        4.5363079966
 Pt         6.8555375289       12.0453473671        2.2203368780
 Pt         7.2403789852       11.8359661608        9.1928998308
 Pt         8.1113353351       12.9187750264       -0.1132191062
 Pt         8.4977096444       12.7073306081        6.8625341063
 Pt         6.9832936182       13.5747435625        4.5430187547
  O         4.3600200377        7.1331695113       11.6211539561
  H         5.2400538644        7.5085232688       11.8204438983
  H         4.4307764849        6.1862340748       11.8527504175
     183
 i =       87, E =    -21650.0193081170
 Pt        -0.0822235670        0.0320143449        2.2169350067
 Pt         0.3032653930       -0.1820537993        9.1977110487
 Pt         1.1733050125        0.9069968430       -0.1139822554
 Pt         1.5606594279        0.6896533289        6.8630512236
 Pt         0.0478651834        1.5615229562        4.5426212119
 Pt         2.6940402586        0.0342992502        2.2118036818
 Pt         3.0755053420       -0.1820130042        9.1874791974
 Pt         3.9466989312        0.9051522375       -0.1216610520
 Pt         4.3364989589        0.6925637742        6.8572581043
 Pt         2.8221667027        1.5641634876        4.5388063154
 Pt         5.4680852304        0.0339646878        2.2067981682
 Pt         5.8500210930       -0.1816744893        9.1832178670
 Pt         6.7223454438        0.9038266212       -0.1233932575
 Pt         7.1108094622        0.6920568578        6.8496997505
 Pt         5.5944453469        1.5657274773        4.5305620140
 Pt         8.2444667786        0.0320483275        2.2025900070
 Pt         8.6252940256       -0.1798783159        9.1825171675
 Pt         9.4981636701        0.9057219712       -0.1272645958
 Pt         9.8841693228        0.6900221667        6.8483380649
 Pt         8.3709451568        1.5632485840        4.5235523002
 Pt        11.0186906676        0.0324461440        2.2056740413
 Pt        11.4015536816       -0.1786036275        9.1864669543
 Pt        12.2730666902        0.9057401548       -0.1237445847
 Pt        12.6586284715        0.6900020098        6.8578573840
 Pt        11.1479715893        1.5629121575        4.5285431385
 Pt        13.7923186170        0.0320066883        2.2144792588
 Pt        14.1774060257       -0.1787999862        9.1945344618
 Pt        15.0464572855        0.9069619839       -0.1140005101
 Pt        15.4334937530        0.6909286962        6.8631225514
 Pt        13.9214534077        1.5613356557        4.5378081103
 Pt        -1.4683367753        2.4347237875        2.2160605988
 Pt        -1.0869043590        2.2183356171        9.1971109472
 Pt        -0.2127806359        3.3090819497       -0.1168484673
 Pt         0.1727967432        3.0919511252        6.8680110040
 Pt        -1.3401505172        3.9650655036        4.5374206857
 Pt         1.3055483547        2.4344212812        2.2205788409
 Pt         1.6889268796        2.2185824310        9.1958770961
 Pt         2.5596476317        3.3110985540       -0.1049326445
 Pt         2.9476532810        3.0931451118        6.8633161332
 Pt         1.4326017984        3.9669789227        4.5472777861
 Pt         4.0820993839        2.4352489745        2.2140754527
 Pt         4.4626765510        2.2207106053        9.1944534678
 Pt         5.3364577739        3.3096783608       -0.1094604305
 Pt         5.7209983383        3.0946175189        6.8583900140
 Pt         4.2084868394        3.9736353946        4.5500577109
 Pt         6.8574771288        2.4357050667        2.2068742253
 Pt         7.2365863950        2.2196367880        9.1804470743
 Pt         8.1105592780        3.3095759528       -0.1265787229
 Pt         8.4962323961        3.0939422699        6.8472821203
 Pt         6.9839097602        3.9668762990        4.5355373569
 Pt         9.6314859261        2.4351359251        2.2020846119
 Pt        10.0124432161        2.2207455962        9.1776784327
 Pt        10.8856683184        3.3086802873       -0.1276977733
 Pt        11.2717999776        3.0930851016        6.8493180278
 Pt         9.7598995830        3.9651888745        4.5238698440
 Pt        12.4059374635        2.4351715508        2.2064823152
 Pt        12.7880158722        2.2209785506        9.1865793013
 Pt        13.6606986990        3.3090226645       -0.1225993566
 Pt        14.0467806655        3.0943212822        6.8587821991
 Pt        12.5344824637        3.9645511732        4.5290482501
 Pt        -2.8548171459        4.8381826457        2.2070764648
 Pt        -2.4753946895        4.6213907388        9.1879097094
 Pt        -1.6007714249        5.7117563920       -0.1235581441
 Pt        -1.2136028748        5.4960491320        6.8579861443
 Pt        -2.7275781828        6.3691941921        4.5280538037
 Pt        -0.0811561540        4.8367537716        2.2141599498
 Pt         0.2962360893        4.6205164632        9.2018954261
 Pt         1.1759314072        5.7128543458       -0.1147682330
 Pt         1.5590993696        5.4937229201        6.8710517240
 Pt         0.0469209421        6.3671947440        4.5346501792
 Pt         2.6932016304        4.8374159669        2.2291529102
 Pt         3.0631753130        4.6105286137        9.2105828429
 Pt         3.9499421863        5.7115293841       -0.0970344815
 Pt         4.3331445190        5.5019401345        6.9113223981
 Pt         2.8225921801        6.3686910819        4.5584410738
 Pt         5.4684415080        4.8383897987        2.2283776394
 Pt         5.8574410734        4.6114321913        9.2068452826
 Pt         6.7219948882        5.7122131556       -0.1110738333
 Pt         7.1061682770        5.4980209786        6.8701212803
 Pt         5.5918324101        6.3684610310        4.5718925469
 Pt         8.2433217985        4.8379646041        2.2085170051
 Pt         8.6257953925        4.6224949530        9.1799265522
 Pt         9.4969067655        5.7106995965       -0.1251999584
 Pt         9.8834779618        5.4961366543        6.8479165936
 Pt         8.3699285426        6.3676372523        4.5373658830
 Pt        11.0188738238        4.8386648817        2.2033399949
 Pt        11.3992728254        4.6229646433        9.1774684181
 Pt        12.2726020889        5.7112653422       -0.1252678480
 Pt        12.6595489063        5.4968727205        6.8487681041
 Pt        11.1457570652        6.3699539081        4.5253760767
 Pt        -4.2420647441        7.2414846587        2.2044321902
 Pt        -3.8624096781        7.0248996516        9.1828489344
 Pt        -2.9882349307        8.1148161175       -0.1242746871
 Pt        -2.6030664698        7.8997536472        6.8515348807
 Pt        -4.1147880267        8.7727705351        4.5284411071
 Pt        -1.4676657407        7.2413427296        2.2064082233
 Pt        -1.0915592248        7.0268742508        9.1829912386
 Pt        -0.2121024047        8.1144125695       -0.1231286147
 Pt         0.1698661386        7.9009804224        6.8496308445
 Pt        -1.3384454302        8.7717110974        4.5262755050
 Pt         1.3056210636        7.2402525544        2.2139970668
 Pt         1.6692431282        7.0254553550        9.1874457129
 Pt         2.5622992854        8.1141272255       -0.1145440101
 Pt         2.9432685377        7.9003714283        6.8834961298
 Pt         1.4390826353        8.7685850988        4.5299399571
 Pt         4.0777332586        7.2408487336        2.2333065884
 Pt         4.4627825285        7.0289666738        9.2698327618
 Pt         5.3372865370        8.1140148184       -0.0972621399
 Pt         5.7170271868        7.8964328146        6.9084363164
 Pt         4.2074487197        8.7665440565        4.5571012929
 Pt         6.8532990926        7.2376985291        2.2294333778
 Pt         7.2538072403        7.0272827166        9.2062141082
 Pt         8.1099415909        8.1129923533       -0.1072189585
 Pt         8.4966080593        7.9005157541        6.8587710324
 Pt         6.9752071692        8.7650784868        4.5493732984
 Pt         9.6299589868        7.2396169788        2.2092086239
 Pt        10.0132902820        7.0275448149        9.1806990591
 Pt        10.8864834477        8.1157850106       -0.1210099761
 Pt        11.2716924729        7.8984146572        6.8502191355
 Pt         9.7549814739        8.7729630911        4.5319928499
 Pt        -5.6330781800        9.6440551704        2.2080074623
 Pt        -5.2475886902        9.4294944282        9.1828990827
 Pt        -4.3762468324       10.5170195691       -0.1202985142
 Pt        -3.9890948805       10.3027787304        6.8527568803
 Pt        -5.5026128473       11.1748356520        4.5323025554
 Pt        -2.8563379123        9.6457012088        2.2043898305
 Pt        -2.4759425525        9.4303972810        9.1824537005
 Pt        -1.6012243444       10.5169819058       -0.1294911687
 Pt        -1.2166937785       10.3039460296        6.8488414296
 Pt        -2.7267305738       11.1756005769        4.5280720554
 Pt        -0.0822527992        9.6450192767        2.2031573431
 Pt         0.2958520685        9.4337896837        9.1790306673
 Pt         1.1743575103       10.5162379673       -0.1233653453
 Pt         1.5571153969       10.3037274292        6.8481877178
 Pt         0.0486712698       11.1741631014        4.5257325898
 Pt         2.6934857544        9.6445413103        2.2125372397
 Pt         3.0681800287        9.4491471956        9.1838774812
 Pt         3.9487241974       10.5155533818       -0.1165944154
 Pt         4.3367316161       10.3027687993        6.8675105135
 Pt         2.8228414401       11.1746398250        4.5327004531
 Pt         5.4669914947        9.6421736551        2.2275115914
 Pt         5.8582568853        9.4495937047        9.2047577719
 Pt         6.7210468246       10.5186647094       -0.1063705260
 Pt         7.1112488986       10.3028604377        6.8599907078
 Pt         5.5928566455       11.1719809703        4.5444111263
 Pt         8.2416025810        9.6416152557        2.2145935210
 Pt         8.6269806733        9.4311583357        9.1927916302
 Pt         9.4969197349       10.5187278537       -0.1217231940
 Pt         9.8851086013       10.3022673273        6.8567826942
 Pt         8.3692763641       11.1725745772        4.5375217603
 Pt        -7.0202011549       12.0451932727        2.2114551322
 Pt        -6.6343447747       11.8344421686        9.1861274285
 Pt        -5.7656981907       12.9212999282       -0.1178518164
 Pt        -5.3740690737       12.7059141375        6.8557777440
 Pt        -6.8888542011       13.5770030225        4.5354389044
 Pt        -4.2453182227       12.0483533165        2.2085606289
 Pt        -3.8614035334       11.8331414945        9.1823561766
 Pt        -2.9885356630       12.9205339781       -0.1211999924
 Pt        -2.6009224269       12.7072519918        6.8525839968
 Pt        -4.1139757337       13.5788814623        4.5321726336
 Pt        -1.4694478622       12.0471056876        2.2037765223
 Pt        -1.0885003114       11.8349610872        9.1815966515
 Pt        -0.2144580754       12.9196511296       -0.1253126317
 Pt         0.1724495895       12.7069531885        6.8508463729
 Pt        -1.3394654489       13.5787713738        4.5273788965
 Pt         1.3069243277       12.0470805412        2.2055730169
 Pt         1.6862374055       11.8384389111        9.1810035137
 Pt         2.5609693244       12.9207547812       -0.1247235610
 Pt         2.9486001324       12.7047795424        6.8560581006
 Pt         1.4349220495       13.5783630732        4.5273656447
 Pt         4.0816654745       12.0472818083        2.2114026126
 Pt         4.4648594235       11.8399370167        9.1972935646
 Pt         5.3361347913       12.9206231441       -0.1190993107
 Pt         5.7234900362       12.7058021092        6.8644265413
 Pt         4.2092005854       13.5765548967        4.5351920082
 Pt         6.8546370810       12.0464372658        2.2185683091
 Pt         7.2417357043       11.8351178324        9.1920260375
 Pt         8.1092071826       12.9208783617       -0.1153693196
 Pt         8.4987999379       12.7071379106        6.8612014190
 Pt         6.9838541204       13.5750522725        4.5410101165
  O         4.3606660365        7.1337277653       11.6220296737
  H         5.2400197284        7.5103087208       11.8220637758
  H         4.4295842178        6.1875657039       11.8571388687
     183
 i =       88, E =    -21650.0193188070
 Pt        -0.0810127438        0.0324223484        2.2150280036
 Pt         0.3011363193       -0.1815400055        9.1959217458
 Pt         1.1751616967        0.9075919703       -0.1154232233
 Pt         1.5595242678        0.6902688889        6.8610837232
 Pt         0.0480957913        1.5622941498        4.5402203529
 Pt         2.6955967751        0.0344410850        2.2114940303
 Pt         3.0734666525       -0.1821766244        9.1866741808
 Pt         3.9485197063        0.9061357568       -0.1214049613
 Pt         4.3351712633        0.6929275323        6.8569103168
 Pt         2.8225211903        1.5649991771        4.5372791857
 Pt         5.4697415030        0.0340860927        2.2075205323
 Pt         5.8482032329       -0.1814417210        9.1836534238
 Pt         6.7239326881        0.9045542496       -0.1222704398
 Pt         7.1093072859        0.6927701219        6.8505042663
 Pt         5.5947060570        1.5661226528        4.5307462742
 Pt         8.2458066449        0.0322227757        2.2037988976
 Pt         8.6232885338       -0.1789034983        9.1831976780
 Pt         9.4997163547        0.9063766867       -0.1259929686
 Pt         9.8826453287        0.6912535123        6.8493282453
 Pt         8.3711172970        1.5639912298        4.5250390353
 Pt        11.0197213885        0.0329058320        2.2063941634
 Pt        11.3993963189       -0.1773527397        9.1862347417
 Pt        12.2747103273        0.9064103576       -0.1230679330
 Pt        12.6572595380        0.6911811304        6.8575485961
 Pt        11.1478812818        1.5636978362        4.5297553304
 Pt        13.7933008274        0.0326816918        2.2132702194
 Pt        14.1751930253       -0.1778591312        9.1935443360
 Pt        15.0482908686        0.9074719898       -0.1152113402
 Pt        15.4324354710        0.6918220112        6.8610074115
 Pt        13.9215207334        1.5620455081        4.5368924170
 Pt        -1.4671431718        2.4352886062        2.2148012165
 Pt        -1.0886942108        2.2190731457        9.1949642825
 Pt        -0.2110155923        3.3096178198       -0.1182187908
 Pt         0.1713939187        3.0924667160        6.8658296574
 Pt        -1.3401040862        3.9659472665        4.5362080521
 Pt         1.3068561982        2.4349166512        2.2186764417
 Pt         1.6869026238        2.2184992751        9.1939153616
 Pt         2.5614358748        3.3119037220       -0.1061034219
 Pt         2.9462463217        3.0935796799        6.8619691643
 Pt         1.4326450999        3.9676764544        4.5454819799
 Pt         4.0833795988        2.4360640852        2.2134385320
 Pt         4.4602997632        2.2204724453        9.1943146257
 Pt         5.3378582782        3.3113281778       -0.1085573995
 Pt         5.7192862220        3.0951263108        6.8583815182
 Pt         4.2086189276        3.9740609914        4.5492634620
 Pt         6.8588383464        2.4361011832        2.2077307523
 Pt         7.2342070535        2.2204727202        9.1809629045
 Pt         8.1118751918        3.3104840846       -0.1257540986
 Pt         8.4947215071        3.0951612414        6.8485912245
 Pt         6.9841333340        3.9673604548        4.5362340119
 Pt         9.6325929933        2.4355178241        2.2033181443
 Pt        10.0103326709        2.2219211484        9.1790982043
 Pt        10.8872185102        3.3093717858       -0.1264316979
 Pt        11.2703955818        3.0942858921        6.8509532321
 Pt         9.7600003239        3.9660963952        4.5253737589
 Pt        12.4069150437        2.4356322807        2.2074213639
 Pt        12.7861349648        2.2217657054        9.1871748490
 Pt        13.6625603512        3.3096777451       -0.1217186026
 Pt        14.0452781487        3.0949493520        6.8582616099
 Pt        12.5343570955        3.9652439760        4.5301074617
 Pt        -2.8537882710        4.8385970649        2.2077102453
 Pt        -2.4776645042        4.6220465150        9.1873219305
 Pt        -1.5991878476        5.7124348298       -0.1232450231
 Pt        -1.2151660852        5.4965763401        6.8571245313
 Pt        -2.7273147071        6.3699440953        4.5285251779
 Pt        -0.0800536823        4.8375859938        2.2127421889
 Pt         0.2940432863        4.6209644829        9.2000860275
 Pt         1.1774558068        5.7135661809       -0.1154379830
 Pt         1.5577002110        5.4941176107        6.8701264931
 Pt         0.0472029738        6.3678327358        4.5338209821
 Pt         2.6944361845        4.8382964623        2.2281530069
 Pt         3.0606531872        4.6105966507        9.2095634247
 Pt         3.9512244138        5.7137104696       -0.0972911326
 Pt         4.3316083007        5.5025258270        6.9107798788
 Pt         2.8228817828        6.3688670051        4.5584422156
 Pt         5.4698983742        4.8393013761        2.2288576159
 Pt         5.8543733410        4.6120670764        9.2062056927
 Pt         6.7233582404        5.7138244490       -0.1095343581
 Pt         7.1047025403        5.4989038392        6.8701801204
 Pt         5.5923433874        6.3688377697        4.5720766284
 Pt         8.2449110896        4.8383435949        2.2094882073
 Pt         8.6228854364        4.6234890033        9.1811038359
 Pt         9.4982802295        5.7116415451       -0.1244352349
 Pt         9.8819996148        5.4973673722        6.8494238779
 Pt         8.3705300394        6.3684021262        4.5378313666
 Pt        11.0201614626        4.8391076154        2.2043801415
 Pt        11.3967847300        4.6237283808        9.1792700565
 Pt        12.2741343756        5.7121268654       -0.1244012698
 Pt        12.6579219174        5.4977756814        6.8497205795
 Pt        11.1461474624        6.3706555447        4.5266183693
 Pt        -4.2406855869        7.2418776872        2.2051424940
 Pt        -3.8652418385        7.0254510818        9.1834914173
 Pt        -2.9869153809        8.1156192381       -0.1239524345
 Pt        -2.6045552840        7.9004478277        6.8519541511
 Pt        -4.1140313109        8.7732697728        4.5290121056
 Pt        -1.4664481575        7.2418924185        2.2064429554
 Pt        -1.0939966455        7.0273187752        9.1821104948
 Pt        -0.2107396120        8.1149776801       -0.1235709494
 Pt         0.1687117028        7.9013535874        6.8494152680
 Pt        -1.3376332441        8.7723343748        4.5267901216
 Pt         1.3068491365        7.2411030234        2.2133367693
 Pt         1.6668952697        7.0259792543        9.1871368309
 Pt         2.5637100665        8.1149788597       -0.1143690260
 Pt         2.9422545352        7.9010304814        6.8840298556
 Pt         1.4397623681        8.7685077774        4.5302697615
 Pt         4.0792829162        7.2415160804        2.2339727879
 Pt         4.4599939703        7.0301668876        9.2700739298
 Pt         5.3385292877        8.1161833553       -0.0969454574
 Pt         5.7158513051        7.8974433963        6.9083226489
 Pt         4.2080494356        8.7666597472        4.5577093497
 Pt         6.8550728412        7.2386386868        2.2302649202
 Pt         7.2505632510        7.0282234743        9.2057220922
 Pt         8.1110708671        8.1145613912       -0.1066884743
 Pt         8.4952962094        7.9016292073        6.8589739919
 Pt         6.9759652333        8.7658753924        4.5495467476
 Pt         9.6316049009        7.2402353107        2.2098260646
 Pt        10.0102170650        7.0282316755        9.1819599661
 Pt        10.8876248595        8.1166720354       -0.1206034942
 Pt        11.2701835044        7.8995374713        6.8511823592
 Pt         9.7557578965        8.7737936602        4.5322324833
 Pt        -5.6315428840        9.6445419238        2.2084465616
 Pt        -5.2504815046        9.4300179348        9.1834716289
 Pt        -4.3747489939       10.5177695511       -0.1197220032
 Pt        -3.9904073694       10.3034690590        6.8530680718
 Pt        -5.5018309977       11.1754768373        4.5323853267
 Pt        -2.8546948078        9.6459175231        2.2047119086
 Pt        -2.4787501865        9.4307791833        9.1827877196
 Pt        -1.5996410881       10.5173731494       -0.1296385290
 Pt        -1.2177135259       10.3044022765        6.8497624392
 Pt        -2.7257227073       11.1758314100        4.5286188796
 Pt        -0.0807289971        9.6452904898        2.2032933177
 Pt         0.2933495339        9.4343066911        9.1788042895
 Pt         1.1758802194       10.5165788674       -0.1233127712
 Pt         1.5563001378       10.3043487982        6.8482976053
 Pt         0.0496240563       11.1744216726        4.5267055413
 Pt         2.6949363413        9.6448653354        2.2129111628
 Pt         3.0656782495        9.4504772295        9.1836411862
 Pt         3.9499774575       10.5163675541       -0.1166543018
 Pt         4.3359816264       10.3042396404        6.8670678667
 Pt         2.8234412575       11.1747389856        4.5327721233
 Pt         5.4683523097        9.6429017055        2.2276951057
 Pt         5.8551173662        9.4509724357        9.2046448992
 Pt         6.7223596955       10.5198910496       -0.1071788675
 Pt         7.1100640017       10.3040119491        6.8598092524
 Pt         5.5933829767       11.1724920541        4.5437098695
 Pt         8.2429945058        9.6426550468        2.2143300978
 Pt         8.6240248093        9.4319967101        9.1931748212
 Pt         9.4983881387       10.5198557349       -0.1221337242
 Pt         9.8836323702       10.3031525755        6.8566602102
 Pt         8.3698451305       11.1734267551        4.5367446728
 Pt        -7.0189063408       12.0456536690        2.2108560197
 Pt        -6.6368085375       11.8348111236        9.1855389327
 Pt        -5.7637455555       12.9222881529       -0.1178554946
 Pt        -5.3753133108       12.7064404293        6.8552524345
 Pt        -6.8883766088       13.5777656173        4.5341874614
 Pt        -4.2435411293       12.0484198995        2.2091854158
 Pt        -3.8636619528       11.8333773644        9.1827892557
 Pt        -2.9866313079       12.9210972901       -0.1203041081
 Pt        -2.6020908121       12.7075743959        6.8531019613
 Pt        -4.1132847945       13.5792901805        4.5322638499
 Pt        -1.4676476747       12.0469955727        2.2044932216
 Pt        -1.0908178722       11.8353163279        9.1824581221
 Pt        -0.2126852580       12.9201220625       -0.1242647853
 Pt         0.1712591615       12.7076527811        6.8517401316
 Pt        -1.3388036889       13.5790228481        4.5284193649
 Pt         1.3083760816       12.0471744949        2.2060917150
 Pt         1.6837212100       11.8395853305        9.1805787420
 Pt         2.5625508586       12.9211915609       -0.1243286721
 Pt         2.9474359601       12.7059654111        6.8556256869
 Pt         1.4352908520       13.5788477306        4.5281443806
 Pt         4.0827209040       12.0478373613        2.2109239037
 Pt         4.4621527886       11.8413945678        9.1966635399
 Pt         5.3374658871       12.9213990394       -0.1201509461
 Pt         5.7225165565       12.7072859461        6.8630292534
 Pt         4.2094671435       13.5771169631        4.5345970151
 Pt         6.8556157785       12.0470498207        2.2172833554
 Pt         7.2390662760       11.8361586821        9.1913373375
 Pt         8.1107232267       12.9216189840       -0.1168780218
 Pt         8.4975269503       12.7080196133        6.8599089552
 Pt         6.9841897586       13.5757198718        4.5390704435
  O         4.3616063011        7.1345098307       11.6229006161
  H         5.2410252683        7.5117515111       11.8218384216
  H         4.4278050081        6.1892124023       11.8615788347
     183
 i =       89, E =    -21650.0193280165
 Pt        -0.0811481118        0.0336635683        2.2130038267
 Pt         0.3019613847       -0.1821337118        9.1937105168
 Pt         1.1740881925        0.9090110163       -0.1175770127
 Pt         1.5599718438        0.6904475835        6.8591171885
 Pt         0.0483110496        1.5631996090        4.5378499774
 Pt         2.6955167232        0.0353766843        2.2105363282
 Pt         3.0745703888       -0.1831575663        9.1856282494
 Pt         3.9475361808        0.9079153492       -0.1223313131
 Pt         4.3356404602        0.6929753215        6.8565043465
 Pt         2.8226140511        1.5658064275        4.5356319368
 Pt         5.4692591937        0.0350385616        2.2078196312
 Pt         5.8497917882       -0.1824333593        9.1839610567
 Pt         6.7224561617        0.9062553800       -0.1218374317
 Pt         7.1096919672        0.6926539070        6.8509837210
 Pt         5.5948837343        1.5664858779        4.5309702174
 Pt         8.2449365080        0.0331517501        2.2044679319
 Pt         8.6246332180       -0.1795504755        9.1834693674
 Pt         9.4981219212        0.9081291927       -0.1251833619
 Pt         9.8831279015        0.6912652214        6.8498133340
 Pt         8.3713795686        1.5645271193        4.5261007887
 Pt        11.0188871683        0.0341229897        2.2066719239
 Pt        11.4003169954       -0.1780036034        9.1860478623
 Pt        12.2734108799        0.9079241678       -0.1226785500
 Pt        12.6578666838        0.6913791264        6.8571213340
 Pt        11.1481421615        1.5642741941        4.5305497538
 Pt        13.7929085620        0.0338872708        2.2119793029
 Pt        14.1759632081       -0.1785894962        9.1920897882
 Pt        15.0472174485        0.9087803981       -0.1168645718
 Pt        15.4329220732        0.6917614220        6.8591467613
 Pt        13.9219005914        1.5628323285        4.5357613664
 Pt        -1.4675113018        2.4365626764        2.2130956304
 Pt        -1.0878205625        2.2185301767        9.1929129623
 Pt        -0.2119949609        3.3111273964       -0.1199691635
 Pt         0.1718902966        3.0925491697        6.8635511760
 Pt        -1.3399124995        3.9668563330        4.5347181319
 Pt         1.3065308719        2.4361765463        2.2163998431
 Pt         1.6878382864        2.2176628922        9.1916533190
 Pt         2.5604037868        3.3134308697       -0.1080563703
 Pt         2.9469082499        3.0937116526        6.8604385505
 Pt         1.4328918655        3.9685138783        4.5432235956
 Pt         4.0830998940        2.4371741846        2.2125865837
 Pt         4.4613657572        2.2194132075        9.1938276261
 Pt         5.3367209713        3.3137619466       -0.1085767229
 Pt         5.7198413640        3.0952140932        6.8584099450
 Pt         4.2088920799        3.9746759481        4.5480900188
 Pt         6.8583656595        2.4371611255        2.2080984038
 Pt         7.2355284048        2.2199743789        9.1811863521
 Pt         8.1103175233        3.3123939006       -0.1256877788
 Pt         8.4953649507        3.0953794688        6.8494904099
 Pt         6.9845270321        3.9677200304        4.5366170025
 Pt         9.6318514439        2.4365025855        2.2040904737
 Pt        10.0117347269        2.2215664198        9.1798608428
 Pt        10.8857634831        3.3109457954       -0.1257668321
 Pt        11.2710320611        3.0946525865        6.8521310717
 Pt         9.7603471042        3.9667670312        4.5264544285
 Pt        12.4062407164        2.4367897489        2.2077580048
 Pt        12.7873306673        2.2209745248        9.1874555814
 Pt        13.6613385319        3.3110823782       -0.1215719858
 Pt        14.0456811786        3.0950140993        6.8576469248
 Pt        12.5345053392        3.9658023904        4.5308141654
 Pt        -2.8546549690        4.8397413870        2.2076989826
 Pt        -2.4765045362        4.6215733586        9.1866640352
 Pt        -1.6006994761        5.7139314061       -0.1231637085
 Pt        -1.2146535812        5.4965381861        6.8562451581
 Pt        -2.7272603553        6.3705252973        4.5287155389
 Pt        -0.0806955615        4.8389609783        2.2110936681
 Pt         0.2949508143        4.6201653747        9.1985600304
 Pt         1.1762240308        5.7151564504       -0.1167583252
 Pt         1.5585056456        5.4938666223        6.8686524854
 Pt         0.0474436975        6.3684015636        4.5327278548
 Pt         2.6940504737        4.8396533123        2.2260543764
 Pt         3.0616448057        4.6095930286        9.2085815194
 Pt         3.9498297388        5.7157624732       -0.0991900071
 Pt         4.3322161015        5.5025504311        6.9101800670
 Pt         2.8234078936        6.3692027335        4.5570538047
 Pt         5.4696884126        4.8405415950        2.2285094940
 Pt         5.8549803252        4.6114374787        9.2060354267
 Pt         6.7214564631        5.7162069016       -0.1097019678
 Pt         7.1051786109        5.4989561053        6.8701072866
 Pt         5.5928586833        6.3692236692        4.5712580028
 Pt         8.2446293025        4.8393737556        2.2096031785
 Pt         8.6241340688        4.6233170943        9.1815827089
 Pt         9.4965438341        5.7132929485       -0.1246409206
 Pt         9.8826199028        5.4978325264        6.8502547378
 Pt         8.3710327663        6.3689079373        4.5376593138
 Pt        11.0195623633        4.8401093279        2.2048187525
 Pt        11.3982938479        4.6233720507        9.1803571832
 Pt        12.2725535718        5.7137946493       -0.1243518957
 Pt        12.6584088124        5.4981891703        6.8503890881
 Pt        11.1463304204        6.3711620589        4.5271967411
 Pt        -4.2412260255        7.2429861869        2.2053683887
 Pt        -3.8639481657        7.0252379608        9.1838256796
 Pt        -2.9885099074        8.1174155399       -0.1240504536
 Pt        -2.6039055535        7.9007053831        6.8520753612
 Pt        -4.1137072720        8.7737197616        4.5295156550
 Pt        -1.4672816047        7.2432356357        2.2062235407
 Pt        -1.0926764344        7.0265512362        9.1813617466
 Pt        -0.2123211410        8.1165859277       -0.1239796406
 Pt         0.1696960085        7.9011337445        6.8488372447
 Pt        -1.3372295650        8.7727684302        4.5268761200
 Pt         1.3062725257        7.2424330312        2.2122211215
 Pt         1.6681561802        7.0247168930        9.1862933691
 Pt         2.5620986067        8.1168490988       -0.1154374352
 Pt         2.9431999530        7.9008213769        6.8833054615
 Pt         1.4403827236        8.7687148339        4.5297332859
 Pt         4.0790071650        7.2425220445        2.2325074639
 Pt         4.4611226561        7.0295717945        9.2701610019
 Pt         5.3367443047        8.1182382287       -0.0986561539
 Pt         5.7162833002        7.8974770110        6.9074733915
 Pt         4.2086418480        8.7668456822        4.5565467426
 Pt         6.8549703002        7.2398166590        2.2297565547
 Pt         7.2510597519        7.0276442603        9.2051777795
 Pt         8.1092711233        8.1163807929       -0.1071622635
 Pt         8.4956532177        7.9016693926        6.8587133115
 Pt         6.9765609553        8.7664825808        4.5485484820
 Pt         9.6314410835        7.2413354585        2.2096243057
 Pt        10.0112928873        7.0279134460        9.1824002741
 Pt        10.8859356713        8.1182497258       -0.1208334194
 Pt        11.2706828544        7.8999908036        6.8518252414
 Pt         9.7563136227        8.7743257008        4.5321948076
 Pt        -5.6316139818        9.6455709706        2.2085685022
 Pt        -5.2493820527        9.4295941076        9.1842183142
 Pt        -4.3760800453       10.5193913405       -0.1195710893
 Pt        -3.9899778654       10.3036040597        6.8537661194
 Pt        -5.5013193063       11.1759327897        4.5327765191
 Pt        -2.8550782433        9.6470673654        2.2048244107
 Pt        -2.4773110194        9.4302073210        9.1829987748
 Pt        -1.6009236377       10.5190725859       -0.1301332551
 Pt        -1.2168189627       10.3043736530        6.8501510627
 Pt        -2.7252624330       11.1760822982        4.5292135069
 Pt        -0.0813443230        9.6465086335        2.2029926368
 Pt         0.2949505623        9.4331436126        9.1784313213
 Pt         1.1744161280       10.5182547655       -0.1237584840
 Pt         1.5574568640       10.3041764277        6.8479448785
 Pt         0.0501771305       11.1745597333        4.5269480271
 Pt         2.6945296688        9.6459338649        2.2122847631
 Pt         3.0669541536        9.4496434722        9.1828744543
 Pt         3.9484113687       10.5182115001       -0.1175448720
 Pt         4.3368768073       10.3043297263        6.8657160937
 Pt         2.8239896526       11.1751042188        4.5320856967
 Pt         5.4679635545        9.6438478051        2.2263492185
 Pt         5.8556518175        9.4505486123        9.2039991441
 Pt         6.7209834697       10.5214838930       -0.1086289571
 Pt         7.1105519561       10.3038278439        6.8588659737
 Pt         5.5939209780       11.1729875203        4.5419469497
 Pt         8.2429093574        9.6438897724        2.2136610289
 Pt         8.6247375700        9.4314164400        9.1932657527
 Pt         9.4972773707       10.5214723263       -0.1226021389
 Pt         9.8838744353       10.3029396375        6.8566745479
 Pt         8.3702894982       11.1741393496        4.5356776225
 Pt        -7.0188477947       12.0466254980        2.2102329116
 Pt        -6.6359051719       11.8340048584        9.1852326449
 Pt        -5.7647675397       12.9240229360       -0.1186040392
 Pt        -5.3750510115       12.7063406896        6.8550753127
 Pt        -6.8881640174       13.5783954271        4.5331029492
 Pt        -4.2437010221       12.0493348607        2.2095925223
 Pt        -3.8622601578       11.8326234678        9.1835686221
 Pt        -2.9878786283       12.9226183600       -0.1199308324
 Pt        -2.6016960318       12.7073926972        6.8537265254
 Pt        -4.1130164010       13.5797472911        4.5325279517
 Pt        -1.4681714834       12.0479018749        2.2047657274
 Pt        -1.0891915571       11.8343026286        9.1830516494
 Pt        -0.2140497424       12.9218583875       -0.1240861332
 Pt         0.1718781787       12.7074278128        6.8519695009
 Pt        -1.3385487533       13.5791637283        4.5290664883
 Pt         1.3076556188       12.0482090033        2.2059810261
 Pt         1.6848696333       11.8387425052        9.1802295164
 Pt         2.5611130159       12.9228694631       -0.1242975360
 Pt         2.9482488030       12.7060963270        6.8550077884
 Pt         1.4355033423       13.5791739392        4.5283232136
 Pt         4.0821745293       12.0490425481        2.2099563105
 Pt         4.4628997509       11.8407451133        9.1953363698
 Pt         5.3360121036       12.9228103615       -0.1215934384
 Pt         5.7232657073       12.7073161141        6.8614080738
 Pt         4.2098608634       13.5777750473        4.5336736160
 Pt         6.8552207303       12.0483573821        2.2154367449
 Pt         7.2397594672       11.8356101037        9.1901168287
 Pt         8.1095805536       12.9230618203       -0.1185030806
 Pt         8.4979828757       12.7078178973        6.8586109785
 Pt         6.9845653814       13.5764504001        4.5370211580
  O         4.3623188884        7.1346221497       11.6234117822
  H         5.2411004662        7.5127217983       11.8239779345
  H         4.4271978571        6.1897685996       11.8636740232
     183
 i =       90, E =    -21650.0193381954
 Pt        -0.0797469599        0.0345844643        2.2113885720
 Pt         0.3000012790       -0.1813089638        9.1912614262
 Pt         1.1757964598        0.9092937649       -0.1193406545
 Pt         1.5586365757        0.6917259670        6.8573112100
 Pt         0.0483384321        1.5647968975        4.5352893681
 Pt         2.6966176925        0.0360175472        2.2098078913
 Pt         3.0731418524       -0.1825904804        9.1847553711
 Pt         3.9493960753        0.9086203385       -0.1230334763
 Pt         4.3345165669        0.6941392888        6.8565425960
 Pt         2.8222663703        1.5667444951        4.5346220271
 Pt         5.4698238097        0.0356923248        2.2086506596
 Pt         5.8489616889       -0.1820593225        9.1845764304
 Pt         6.7237702248        0.9072165784       -0.1208985774
 Pt         7.1086410021        0.6934443175        6.8518019236
 Pt         5.5946087815        1.5671074448        4.5318884060
 Pt         8.2451137720        0.0337353600        2.2055001170
 Pt         8.6235695241       -0.1789211504        9.1840393990
 Pt         9.4991485787        0.9091036320       -0.1237987783
 Pt         9.8822512307        0.6921447411        6.8507532703
 Pt         8.3713452019        1.5651431545        4.5277583716
 Pt        11.0192297422        0.0348965353        2.2076631611
 Pt        11.3985766688       -0.1773862261        9.1865033683
 Pt        12.2747635119        0.9083094194       -0.1216237998
 Pt        12.6568279037        0.6926801932        6.8570721840
 Pt        11.1481121984        1.5651635680        4.5318170037
 Pt        13.7938715883        0.0345680891        2.2114426563
 Pt        14.1738707210       -0.1779888453        9.1905038952
 Pt        15.0487565678        0.9088376750       -0.1180039766
 Pt        15.4316904446        0.6928120515        6.8572989930
 Pt        13.9220087711        1.5641036716        4.5350212910
 Pt        -1.4668133076        2.4374559584        2.2116411178
 Pt        -1.0897030100        2.2194832736        9.1906770906
 Pt        -0.2103124086        3.3115441142       -0.1210580828
 Pt         0.1709111955        3.0940307960        6.8610867154
 Pt        -1.3401045114        3.9680942757        4.5336937277
 Pt         1.3075216691        2.4374040882        2.2142407483
 Pt         1.6860817151        2.2183352748        9.1892419446
 Pt         2.5621941862        3.3135849348       -0.1092806863
 Pt         2.9461764659        3.0950569840        6.8592434873
 Pt         1.4330452714        3.9698861793        4.5413119364
 Pt         4.0840252838        2.4376150142        2.2125575527
 Pt         4.4601664632        2.2198842581        9.1934264019
 Pt         5.3384902884        3.3149110035       -0.1076541308
 Pt         5.7192370429        3.0964136854        6.8590589335
 Pt         4.2090792985        3.9757669955        4.5476992165
 Pt         6.8591200337        2.4377457589        2.2093542744
 Pt         7.2345793361        2.2208449679        9.1817999171
 Pt         8.1115185465        3.3135504044       -0.1249176134
 Pt         8.4948573211        3.0965564730        6.8509387880
 Pt         6.9847642944        3.9682981597        4.5377405179
 Pt         9.6322841718        2.4370416458        2.2055972229
 Pt        10.0107015157        2.2226830348        9.1809045044
 Pt        10.8869044043        3.3115153023       -0.1246315565
 Pt        11.2702761230        3.0961931840        6.8537171666
 Pt         9.7605359138        3.9675868285        4.5281891293
 Pt        12.4067555281        2.4375003591        2.2086114265
 Pt        12.7857766377        2.2217447390        9.1880215001
 Pt        13.6626479165        3.3112999834       -0.1211911525
 Pt        14.0444413364        3.0963991626        6.8572314568
 Pt        12.5342998255        3.9668029053        4.5319187517
 Pt        -2.8544997638        4.8405042228        2.2080150328
 Pt        -2.4777583613        4.6226930511        9.1864872798
 Pt        -1.5996921716        5.7143262956       -0.1225782530
 Pt        -1.2155327943        5.4976943493        6.8557335892
 Pt        -2.7276586776        6.3714861919        4.5290396636
 Pt        -0.0802802953        4.8399050740        2.2102953572
 Pt         0.2933674676        4.6205857469        9.1973737014
 Pt         1.1776516922        5.7157783906       -0.1170565171
 Pt         1.5580224358        5.4946974736        6.8676173668
 Pt         0.0473458639        6.3692756480        4.5324060095
 Pt         2.6950004294        4.8405125406        2.2248059089
 Pt         3.0602821587        4.6098072901        9.2083624117
 Pt         3.9511106898        5.7157572569       -0.1002087290
 Pt         4.3316193435        5.5037505574        6.9105282134
 Pt         2.8237894375        6.3700941823        4.5562519778
 Pt         5.4707093124        4.8411863264        2.2290464452
 Pt         5.8536285615        4.6120293701        9.2070441449
 Pt         6.7220240892        5.7173741784       -0.1093072935
 Pt         7.1043584641        5.5000710293        6.8707856086
 Pt         5.5932227514        6.3700062399        4.5712029379
 Pt         8.2455137938        4.8398905139        2.2104394793
 Pt         8.6233218481        4.6248029281        9.1822298088
 Pt         9.4973688200        5.7138657934       -0.1245222279
 Pt         9.8820384558        5.4995450924        6.8513333242
 Pt         8.3712134245        6.3696475860        4.5378805322
 Pt        11.0200387562        4.8406173989        2.2056659563
 Pt        11.3976089242        4.6248642185        9.1815634783
 Pt        12.2734554497        5.7142340550       -0.1241313682
 Pt        12.6576970138        5.5000684466        6.8514052758
 Pt        11.1462107105        6.3720199858        4.5279453674
 Pt        -4.2406578105        7.2436213204        2.2055337881
 Pt        -3.8645921302        7.0269113369        9.1844322067
 Pt        -2.9874545576        8.1181012695       -0.1241508793
 Pt        -2.6042828911        7.9021741906        6.8523653066
 Pt        -4.1137577677        8.7744337084        4.5301402244
 Pt        -1.4670790172        7.2441408151        2.2063994559
 Pt        -1.0934433712        7.0271414760        9.1811603636
 Pt        -0.2113072128        8.1172550971       -0.1233517043
 Pt         0.1694353568        7.9018888142        6.8486266741
 Pt        -1.3372365337        8.7733684658        4.5269128530
 Pt         1.3067366464        7.2431590626        2.2123357706
 Pt         1.6671523429        7.0243674848        9.1859243947
 Pt         2.5629318500        8.1176357291       -0.1153360539
 Pt         2.9427603845        7.9015037179        6.8833136086
 Pt         1.4406824393        8.7693174714        4.5299211964
 Pt         4.0798537609        7.2430829786        2.2316410812
 Pt         4.4600234901        7.0296708890        9.2710672688
 Pt         5.3374737277        8.1183379653       -0.0996009986
 Pt         5.7152333606        7.8984897355        6.9072681437
 Pt         4.2089774764        8.7675034579        4.5559436650
 Pt         6.8560107024        7.2404228258        2.2296916041
 Pt         7.2494925047        7.0284981132        9.2055199594
 Pt         8.1100939402        8.1166355891       -0.1070106082
 Pt         8.4944280180        7.9026158266        6.8586919831
 Pt         6.9768532513        8.7674022642        4.5478052738
 Pt         9.6324839901        7.2418446790        2.2097589641
 Pt        10.0103408450        7.0294674016        9.1827457123
 Pt        10.8869676655        8.1186035157       -0.1209937181
 Pt        11.2699280990        7.9016944098        6.8525415711
 Pt         9.7563995008        8.7751446493        4.5323544705
 Pt        -5.6302928217        9.6460615586        2.2089809833
 Pt        -5.2502800707        9.4308832037        9.1853838556
 Pt        -4.3746367722       10.5199051537       -0.1194203602
 Pt        -3.9909357565       10.3048136744        6.8547903974
 Pt        -5.5013164481       11.1766539655        4.5336566529
 Pt        -2.8543016335        9.6478166245        2.2048733561
 Pt        -2.4776443355        9.4312264829        9.1833797377
 Pt        -1.5997292263       10.5202083835       -0.1307480040
 Pt        -1.2171703108       10.3053818003        6.8504706182
 Pt        -2.7252915939       11.1765276395        4.5300568629
 Pt        -0.0809390781        9.6473550918        2.2030337004
 Pt         0.2946936413        9.4330427812        9.1784429051
 Pt         1.1754814518       10.5191974343       -0.1233379142
 Pt         1.5572055938       10.3049197688        6.8480535678
 Pt         0.0501992064       11.1748626816        4.5271020805
 Pt         2.6951029503        9.6464901915        2.2127119427
 Pt         3.0661724215        9.4496313652        9.1829970202
 Pt         3.9494393180       10.5188818988       -0.1171362436
 Pt         4.3360995290       10.3052085210        6.8649164725
 Pt         2.8241438527       11.1759360346        4.5322272079
 Pt         5.4689419622        9.6443033754        2.2256088409
 Pt         5.8540968679        9.4511691107        9.2038689578
 Pt         6.7223649195       10.5214610990       -0.1089285760
 Pt         7.1093403727       10.3043796916        6.8580146244
 Pt         5.5942006540       11.1739934973        4.5405907199
 Pt         8.2442214449        9.6445818604        2.2134476598
 Pt         8.6232299970        9.4323433781        9.1935034956
 Pt         9.4989687240       10.5216383019       -0.1223654106
 Pt         9.8825520253       10.3035906550        6.8571011277
 Pt         8.3704233113       11.1751737780        4.5349378448
 Pt        -7.0173147948       12.0471617436        2.2101553773
 Pt        -6.6373853479       11.8346883752        9.1853857090
 Pt        -5.7630319569       12.9245076638       -0.1190011244
 Pt        -5.3765154076       12.7072272457        6.8554900818
 Pt        -6.8883502362       13.5792808375        4.5324807921
 Pt        -4.2426468653       12.0499212598        2.2104235896
 Pt        -3.8630347315       11.8334006176        9.1848314922
 Pt        -2.9864797923       12.9233581695       -0.1193856046
 Pt        -2.6029714748       12.7082340819        6.8545740168
 Pt        -4.1134015621       13.5804919762        4.5333411246
 Pt        -1.4676943310       12.0485465196        2.2050498976
 Pt        -1.0895381600       11.8346451812        9.1836050594
 Pt        -0.2128622979       12.9228950471       -0.1238070309
 Pt         0.1710734159       12.7080387918        6.8522751078
 Pt        -1.3388542079       13.5794929189        4.5300018145
 Pt         1.3079543903       12.0489554635        2.2063757395
 Pt         1.6838701038       11.8389031756        9.1805207964
 Pt         2.5622437428       12.9237402957       -0.1234119905
 Pt         2.9475082152       12.7071977930        6.8550207861
 Pt         1.4352553979       13.5797553326        4.5288793105
 Pt         4.0828984431       12.0496975452        2.2101038928
 Pt         4.4613378062       11.8411347275        9.1943843102
 Pt         5.3373322910       12.9228875967       -0.1218618317
 Pt         5.7222929502       12.7081051361        6.8600215216
 Pt         4.2099073507       13.5788645105        4.5334856167
 Pt         6.8564029165       12.0493163048        2.2141246015
 Pt         7.2380148253       11.8363743482        9.1888270099
 Pt         8.1113483554       12.9231972239       -0.1192573805
 Pt         8.4967503153       12.7084024443        6.8574519552
 Pt         6.9847617616       13.5778402090        4.5349931051
  O         4.3626314577        7.1342556242       11.6235132789
  H         5.2412444775        7.5123298138       11.8250567711
  H         4.4268649424        6.1894547944       11.8633759749
     183
 i =       91, E =    -21650.0193455222
 Pt        -0.0788884753        0.0352598503        2.2106604451
 Pt         0.2985078396       -0.1802722710        9.1901037607
 Pt         1.1770735978        0.9093720845       -0.1201620934
 Pt         1.5578398897        0.6928491883        6.8565839671
 Pt         0.0482933465        1.5658589898        4.5342215129
 Pt         2.6971471610        0.0366808637        2.2092569148
 Pt         3.0719460083       -0.1814027379        9.1846932776
 Pt         3.9507498936        0.9087645888       -0.1236955643
 Pt         4.3337431724        0.6952493728        6.8565524577
 Pt         2.8219828601        1.5675835024        4.5341738839
 Pt         5.4699038094        0.0362084185        2.2088625704
 Pt         5.8479635271       -0.1811470454        9.1848941884
 Pt         6.7249954844        0.9077802396       -0.1206805008
 Pt         7.1080802415        0.6942610503        6.8522575960
 Pt         5.5942664475        1.5677761818        4.5322065994
 Pt         8.2451510545        0.0342831486        2.2059683022
 Pt         8.6226080522       -0.1782577064        9.1844887487
 Pt         9.5001368084        0.9096142469       -0.1231124668
 Pt         9.8817818002        0.6928935245        6.8514512785
 Pt         8.3711067823        1.5655651755        4.5283730629
 Pt        11.0195218086        0.0353503799        2.2083873770
 Pt        11.3973852989       -0.1767593709        9.1870198532
 Pt        12.2757588198        0.9084224818       -0.1209860988
 Pt        12.6562253272        0.6936322423        6.8572933438
 Pt        11.1480234175        1.5657693023        4.5325257623
 Pt        13.7945075263        0.0350601916        2.2114896592
 Pt        14.1724157832       -0.1772106945        9.1894270232
 Pt        15.0498338765        0.9088157503       -0.1181785156
 Pt        15.4309854622        0.6939482938        6.8562230632
 Pt        13.9218676387        1.5650534424        4.5349874977
 Pt        -1.4664834206        2.4380270796        2.2112731855
 Pt        -1.0911656658        2.2205200189        9.1894961836
 Pt        -0.2092269320        3.3117371546       -0.1213456045
 Pt         0.1703334358        3.0953693287        6.8598780587
 Pt        -1.3403562178        3.9689556317        4.5335452621
 Pt         1.3080973635        2.4381662718        2.2131332372
 Pt         1.6846809973        2.2194426144        9.1879905760
 Pt         2.5634815727        3.3135192214       -0.1103465789
 Pt         2.9458390228        3.0963157147        6.8584241438
 Pt         1.4332831736        3.9711703166        4.5399782296
 Pt         4.0845266595        2.4381069344        2.2122106623
 Pt         4.4592268368        2.2209089722        9.1929435223
 Pt         5.3398990615        3.3148473595       -0.1081318741
 Pt         5.7190932220        3.0975021792        6.8590817352
 Pt         4.2092181879        3.9767368694        4.5472720237
 Pt         6.8594224804        2.4381579367        2.2097293051
 Pt         7.2337613294        2.2216490915        9.1820956272
 Pt         8.1127464439        3.3139851330       -0.1245283224
 Pt         8.4946470411        3.0974041662        6.8515527035
 Pt         6.9848444612        3.9689476542        4.5379362564
 Pt         9.6325325061        2.4374776813        2.2064332524
 Pt        10.0097055790        2.2236454713        9.1814545355
 Pt        10.8878155778        3.3117056574       -0.1239887896
 Pt        11.2697501023        3.0972978896        6.8542456734
 Pt         9.7604635501        3.9680786194        4.5287949425
 Pt        12.4069976628        2.4379447460        2.2090888167
 Pt        12.7844432699        2.2228551217        9.1880327271
 Pt        13.6634925079        3.3112575607       -0.1210407724
 Pt        14.0437251431        3.0977139159        6.8572776488
 Pt        12.5341153799        3.9676056185        4.5324544616
 Pt        -2.8544853522        4.8409905020        2.2082587146
 Pt        -2.4787368318        4.6239099503        9.1867753536
 Pt        -1.5988198764        5.7143974587       -0.1221656027
 Pt        -1.2159517338        5.4988737857        6.8558940402
 Pt        -2.7279894939        6.3722660998        4.5293972614
 Pt        -0.0800301010        4.8405013506        2.2101443933
 Pt         0.2922744527        4.6213576806        9.1966896858
 Pt         1.1786760922        5.7160424442       -0.1171550660
 Pt         1.5578941315        5.4957344628        6.8668566384
 Pt         0.0471777319        6.3700662830        4.5324758635
 Pt         2.6956623358        4.8409687695        2.2239403212
 Pt         3.0593910747        4.6104568249        9.2080509591
 Pt         3.9519636279        5.7154631181       -0.1014199918
 Pt         4.3315418350        5.5047918001        6.9104488777
 Pt         2.8240504335        6.3711489597        4.5553140358
 Pt         5.4712104287        4.8415572749        2.2285173347
 Pt         5.8531912544        4.6125992361        9.2075849835
 Pt         6.7229416451        5.7173117287       -0.1104377449
 Pt         7.1040055319        5.5009397327        6.8709815189
 Pt         5.5932464597        6.3707806401        4.5706849955
 Pt         8.2457667728        4.8403406636        2.2105341949
 Pt         8.6227671865        4.6259751945        9.1823052164
 Pt         9.4983089126        5.7140013576       -0.1246459487
 Pt         9.8817709912        5.5007369726        6.8515813822
 Pt         8.3710822256        6.3702352893        4.5377308625
 Pt        11.0201343749        4.8410504196        2.2062402657
 Pt        11.3969054305        4.6263520040        9.1818866636
 Pt        12.2742764344        5.7141068782       -0.1238764684
 Pt        12.6573504069        5.5015487336        6.8519194963
 Pt        11.1459457927        6.3728237543        4.5281717073
 Pt        -4.2405117421        7.2441228845        2.2056406483
 Pt        -3.8649856134        7.0284937983        9.1850495003
 Pt        -2.9864817638        8.1181369340       -0.1240070234
 Pt        -2.6044438776        7.9034389325        6.8527880523
 Pt        -4.1141181815        8.7751971223        4.5304827728
 Pt        -1.4670237504        7.2445636291        2.2068531230
 Pt        -1.0939995865        7.0280962111        9.1816579345
 Pt        -0.2103874392        8.1176157088       -0.1225806086
 Pt         0.1692491009        7.9027801851        6.8486904966
 Pt        -1.3375604183        8.7740292654        4.5270623274
 Pt         1.3070718004        7.2435959803        2.2123355735
 Pt         1.6664753981        7.0246870352        9.1856459636
 Pt         2.5637464171        8.1178127986       -0.1154994903
 Pt         2.9425072043        7.9021715726        6.8828525230
 Pt         1.4406198395        8.7701759642        4.5298492827
 Pt         4.0802798038        7.2434606584        2.2305080333
 Pt         4.4595223844        7.0295008747        9.2715533612
 Pt         5.3381702798        8.1180758092       -0.1008678061
 Pt         5.7146586364        7.8991855786        6.9068585571
 Pt         4.2090216609        8.7683909373        4.5549378984
 Pt         6.8563136442        7.2407214491        2.2287922807
 Pt         7.2488182196        7.0294048242        9.2057344703
 Pt         8.1111326927        8.1163596243       -0.1077278544
 Pt         8.4936635082        7.9033435802        6.8584381066
 Pt         6.9765887348        8.7680684460        4.5468321141
 Pt         9.6327965367        7.2422409870        2.2095299805
 Pt        10.0098664980        7.0310068769        9.1826563335
 Pt        10.8881071326        8.1185416527       -0.1212657600
 Pt        11.2695958993        7.9029720409        6.8528057585
 Pt         9.7560483578        8.7757981567        4.5322622961
 Pt        -5.6297165751        9.6464423424        2.2089825863
 Pt        -5.2507216369        9.4322812394        9.1860944665
 Pt        -4.3734425550       10.5199663302       -0.1194870582
 Pt        -3.9914603265       10.3058501561        6.8555242946
 Pt        -5.5017269670       11.1772628689        4.5341306109
 Pt        -2.8540657374        9.6483721112        2.2050435891
 Pt        -2.4778422676        9.4324561760        9.1839019030
 Pt        -1.5989314880       10.5208511980       -0.1307132415
 Pt        -1.2175187260       10.3063783650        6.8505585209
 Pt        -2.7258216590       11.1771898962        4.5305319570
 Pt        -0.0808973201        9.6479401763        2.2033438862
 Pt         0.2944172132        9.4335695641        9.1786153468
 Pt         1.1763861223       10.5198224813       -0.1228916824
 Pt         1.5568350309       10.3056948803        6.8481235695
 Pt         0.0497799286       11.1755336893        4.5270995582
 Pt         2.6953794566        9.6469963044        2.2125025963
 Pt         3.0656999637        9.4495861874        9.1829648707
 Pt         3.9504233700       10.5189682199       -0.1170094526
 Pt         4.3353941156       10.3056650612        6.8643681556
 Pt         2.8240048022       11.1767865981        4.5323009134
 Pt         5.4694462316        9.6445982512        2.2246290908
 Pt         5.8534165373        9.4514739568        9.2033256477
 Pt         6.7235773605       10.5211594174       -0.1092596140
 Pt         7.1084896261       10.3048138702        6.8571412252
 Pt         5.5941781266       11.1749223618        4.5396983008
 Pt         8.2449127371        9.6448363654        2.2129925331
 Pt         8.6224687965        9.4333625033        9.1932085420
 Pt         9.5003248896       10.5213607804       -0.1224141941
 Pt         9.8818042278       10.3043254697        6.8572470911
 Pt         8.3701915430       11.1758934077        4.5344565621
 Pt        -7.0164238737       12.0476741436        2.2099041568
 Pt        -6.6383525458       11.8357854101        9.1857337201
 Pt        -5.7617078659       12.9244299293       -0.1193164310
 Pt        -5.3774663048       12.7081306895        6.8559810398
 Pt        -6.8886063908       13.5801007854        4.5321139891
 Pt        -4.2422885703       12.0504255539        2.2106895994
 Pt        -3.8637358867       11.8345616049        9.1856144282
 Pt        -2.9854417656       12.9238300879       -0.1192917541
 Pt        -2.6038336940       12.7091821629        6.8550727807
 Pt        -4.1139737793       13.5811463644        4.5338168904
 Pt        -1.4677106980       12.0492122895        2.2052167798
 Pt        -1.0900108207       11.8355424524        9.1837097313
 Pt        -0.2120121755       12.9235882104       -0.1237194386
 Pt         0.1704924234       12.7088324521        6.8524432164
 Pt        -1.3394281133       13.5800963205        4.5304081255
 Pt         1.3080277840       12.0496073702        2.2067441286
 Pt         1.6832409681       11.8391898577        9.1809639342
 Pt         2.5631903472       12.9242099837       -0.1227641007
 Pt         2.9469642531       12.7079219085        6.8554087081
 Pt         1.4349209807       13.5803527249        4.5293661891
 Pt         4.0834079358       12.0501316679        2.2102311565
 Pt         4.4604477908       11.8413879327        9.1937796439
 Pt         5.3385164939       12.9228050697       -0.1215736725
 Pt         5.7216335568       12.7087896444        6.8591933816
 Pt         4.2098132566       13.5797413058        4.5336498977
 Pt         6.8573212550       12.0496155139        2.2136522201
 Pt         7.2369054365       11.8371125332        9.1877879894
 Pt         8.1128054540       12.9231228083       -0.1195385065
 Pt         8.4959687968       12.7090612345        6.8568215437
 Pt         6.9847739832       13.5788864318        4.5341741726
  O         4.3621367059        7.1335462542       11.6236384086
  H         5.2404008810        7.5111549132       11.8271031616
  H         4.4263299822        6.1885461468       11.8620334583
     183
 i =       92, E =    -21650.0193531908
 Pt        -0.0778910971        0.0358520934        2.2101378705
 Pt         0.2963924395       -0.1786511003        9.1891938328
 Pt         1.1791879145        0.9093015252       -0.1206311375
 Pt         1.5568417167        0.6943350796        6.8559538292
 Pt         0.0482150328        1.5671089969        4.5334826518
 Pt         2.6979350693        0.0374420672        2.2088516987
 Pt         3.0699607346       -0.1793895819        9.1850436047
 Pt         3.9528967845        0.9086708491       -0.1240413885
 Pt         4.3326130583        0.6967057393        6.8567016867
 Pt         2.8218213483        1.5688642702        4.5337945462
 Pt         5.4703646268        0.0368221202        2.2090606940
 Pt         5.8459859989       -0.1793913872        9.1853313130
 Pt         6.7272869671        0.9081543521       -0.1204835115
 Pt         7.1071163164        0.6955510226        6.8527921285
 Pt         5.5937865789        1.5687605596        4.5324224870
 Pt         8.2457428109        0.0348209241        2.2065104375
 Pt         8.6208341733       -0.1770128410        9.1851817823
 Pt         9.5023393605        0.9098244129       -0.1224665961
 Pt         9.8809470329        0.6942153695        6.8524191702
 Pt         8.3706658177        1.5662760035        4.5290214335
 Pt        11.0204180171        0.0357122073        2.2092342250
 Pt        11.3956268924       -0.1755257862        9.1875331305
 Pt        12.2776719186        0.9083382041       -0.1204251244
 Pt        12.6551518687        0.6950509107        6.8575352841
 Pt        11.1476416858        1.5666309707        4.5332128093
 Pt        13.7955072442        0.0354545707        2.2118898662
 Pt        14.1703989505       -0.1757430394        9.1882820365
 Pt        15.0517018532        0.9087590852       -0.1179269454
 Pt        15.4299732018        0.6956658890        6.8553060711
 Pt        13.9215484377        1.5662487481        4.5351506408
 Pt        -1.4658065710        2.4386159998        2.2113782306
 Pt        -1.0932527767        2.2221332688        9.1884132208
 Pt        -0.2074707768        3.3117248553       -0.1212509583
 Pt         0.1695431164        3.0971832848        6.8589992077
 Pt        -1.3405703150        3.9701280206        4.5337184515
 Pt         1.3090059268        2.4388350163        2.2124342301
 Pt         1.6825996025        2.2211747715        9.1870577011
 Pt         2.5656225855        3.3132247297       -0.1114010212
 Pt         2.9451105294        3.0979473981        6.8577197659
 Pt         1.4333732999        3.9726389712        4.5390036281
 Pt         4.0853440803        2.4387197166        2.2117944878
 Pt         4.4575064636        2.2226226174        9.1925601697
 Pt         5.3420381490        3.3142588502       -0.1090403981
 Pt         5.7185435686        3.0988576672        6.8590441348
 Pt         4.2093340423        3.9781406989        4.5468193233
 Pt         6.8600263573        2.4385776357        2.2101402456
 Pt         7.2321687415        2.2229328812        9.1826577748
 Pt         8.1150227021        3.3140350701       -0.1238768574
 Pt         8.4939289979        3.0985897559        6.8519915902
 Pt         6.9846765159        3.9699019639        4.5379203878
 Pt         9.6332126699        2.4379087998        2.2073464726
 Pt        10.0078247246        2.2251367209        9.1820665935
 Pt        10.8898043475        3.3117258328       -0.1232364887
 Pt        11.2687430634        3.0988519023        6.8546350283
 Pt         9.7601322750        3.9689131671        4.5294111252
 Pt        12.4076615046        2.4383746359        2.2096305140
 Pt        12.7822895080        2.2248032797        9.1877682133
 Pt        13.6651671229        3.3110839834       -0.1208156454
 Pt        14.0426520030        3.0996344048        6.8573486525
 Pt        12.5337031989        3.9687524074        4.5328885183
 Pt        -2.8539825711        4.8414243127        2.2086793432
 Pt        -2.4804532532        4.6257620961        9.1873210023
 Pt        -1.5970099907        5.7143002815       -0.1218222971
 Pt        -1.2166699242        5.5006106070        6.8562211171
 Pt        -2.7283723187        6.3733809738        4.5298233191
 Pt        -0.0793141451        4.8409200065        2.2102995982
 Pt         0.2907047543        4.6228150728        9.1959398666
 Pt         1.1804191530        5.7160283237       -0.1171011097
 Pt         1.5574179849        5.4973567193        6.8661316369
 Pt         0.0469885236        6.3712960702        4.5326711703
 Pt         2.6966833230        4.8414950275        2.2231199230
 Pt         3.0579375501        4.6117117412        9.2074510961
 Pt         3.9537703574        5.7149568421       -0.1023565840
 Pt         4.3312634312        5.5062488652        6.9101817933
 Pt         2.8241178152        6.3726855133        4.5544785366
 Pt         5.4719791338        4.8419439653        2.2275052523
 Pt         5.8522416978        4.6135898863        9.2079128527
 Pt         6.7250384966        5.7166736381       -0.1118905498
 Pt         7.1034855228        5.5021797450        6.8710724559
 Pt         5.5931217070        6.3718512929        4.5699853186
 Pt         8.2461960614        4.8408806430        2.2107686542
 Pt         8.6214712849        4.6275719394        9.1825515979
 Pt         9.5003724382        5.7139488290       -0.1244742734
 Pt         9.8810478968        5.5022360835        6.8516783440
 Pt         8.3706695085        6.3712171392        4.5375877594
 Pt        11.0205257364        4.8415919741        2.2070119750
 Pt        11.3951984759        4.6284603844        9.1819940472
 Pt        12.2761645850        5.7137130047       -0.1233289061
 Pt        12.6565335103        5.5033543704        6.8523659007
 Pt        11.1455560290        6.3740231496        4.5284995085
 Pt        -4.2400790024        7.2445809619        2.2059336378
 Pt        -3.8661783141        7.0305487609        9.1857768824
 Pt        -2.9844847803        8.1178364019       -0.1236126294
 Pt        -2.6050647265        7.9050440167        6.8533568330
 Pt        -4.1146889038        8.7762900027        4.5307843238
 Pt        -1.4664529118        7.2448554173        2.2073999493
 Pt        -1.0952751081        7.0297892419        9.1824666356
 Pt        -0.2085709403        8.1178544572       -0.1216267481
 Pt         0.1686223932        7.9042811076        6.8489501817
 Pt        -1.3380890002        8.7751084529        4.5274184898
 Pt         1.3077850200        7.2439774906        2.2125377869
 Pt         1.6652865034        7.0258647405        9.1853227105
 Pt         2.5655330231        8.1176826065       -0.1155125348
 Pt         2.9418692910        7.9032720391        6.8822940601
 Pt         1.4402297815        8.7715696699        4.5297745402
 Pt         4.0810490720        7.2439829703        2.2294563368
 Pt         4.4586034697        7.0296445853        9.2717511616
 Pt         5.3400836319        8.1174634320       -0.1019149847
 Pt         5.7138954501        7.9002209675        6.9062856568
 Pt         4.2087304981        8.7697298135        4.5540516126
 Pt         6.8567659216        7.2409464557        2.2275590566
 Pt         7.2478696050        7.0309044435        9.2059460997
 Pt         8.1133617694        8.1157267670       -0.1086811882
 Pt         8.4927666985        7.9046007041        6.8582392239
 Pt         6.9760352194        8.7689536192        4.5458656568
 Pt         9.6332052826        7.2427007165        2.2095076622
 Pt        10.0087434409        7.0331442450        9.1827150656
 Pt        10.8903050235        8.1182870112       -0.1213301950
 Pt        11.2688541477        7.9045851097        6.8530210920
 Pt         9.7553675958        8.7767047607        4.5321715703
 Pt        -5.6290691574        9.6468539555        2.2089665602
 Pt        -5.2517924350        9.4342911518        9.1866512729
 Pt        -4.3713381334       10.5198164440       -0.1196117645
 Pt        -3.9923768138       10.3073294713        6.8559992066
 Pt        -5.5024750198       11.1781795860        4.5342772186
 Pt        -2.8535511430        9.6487969886        2.2053378545
 Pt        -2.4788858617        9.4343083858        9.1845433573
 Pt        -1.5971819077       10.5211756950       -0.1301303630
 Pt        -1.2183728162       10.3078840381        6.8507195805
 Pt        -2.7266275929       11.1782671100        4.5308219856
 Pt        -0.0804581691        9.6484559337        2.2038509354
 Pt         0.2932360967        9.4349919864        9.1788791328
 Pt         1.1781441874       10.5202718859       -0.1220577076
 Pt         1.5558775451       10.3070216027        6.8482417714
 Pt         0.0490623810       11.1767805176        4.5272698985
 Pt         2.6959206879        9.6475560432        2.2124472382
 Pt         3.0645410043        9.4500362237        9.1828341900
 Pt         3.9524340747       10.5187591129       -0.1167736510
 Pt         4.3342966408       10.3065931606        6.8639909924
 Pt         2.8235376084       11.1780417938        4.5324974635
 Pt         5.4702586400        9.6449262937        2.2238298275
 Pt         5.8523760566        9.4521246312        9.2025362971
 Pt         6.7258323305       10.5205960938       -0.1095342838
 Pt         7.1073309633       10.3058815404        6.8562401638
 Pt         5.5938555950       11.1761795104        4.5391325045
 Pt         8.2457261348        9.6449430195        2.2124021092
 Pt         8.6213020549        9.4351170477        9.1926194425
 Pt         9.5024863071       10.5208982900       -0.1225988283
 Pt         9.8808006458       10.3056773656        6.8572667573
 Pt         8.3698030939       11.1768470570        4.5339151465
 Pt        -7.0154557892       12.0481180690        2.2095763570
 Pt        -6.6399135202       11.8377039846        9.1860082941
 Pt        -5.7595358233       12.9241213656       -0.1194809422
 Pt        -5.3786575486       12.7095245968        6.8563803532
 Pt        -6.8889185179       13.5812210284        4.5316406997
 Pt        -4.2417512305       12.0510081388        2.2107386728
 Pt        -3.8652771022       11.8364806635        9.1862036130
 Pt        -2.9834079004       12.9242018086       -0.1193138848
 Pt        -2.6050650448       12.7106659400        6.8554341258
 Pt        -4.1147433820       13.5821201532        4.5341112542
 Pt        -1.4673477480       12.0498765665        2.2054869662
 Pt        -1.0915038986       11.8372713432        9.1836914659
 Pt        -0.2101289001       12.9240789602       -0.1233624776
 Pt         0.1694918993       12.7102820391        6.8528641052
 Pt        -1.3401883941       13.5811290681        4.5308004485
 Pt         1.3085949269       12.0503139740        2.2073230220
 Pt         1.6819429043       11.8401180072        9.1814874402
 Pt         2.5651182627       12.9243863941       -0.1219505868
 Pt         2.9459443510       12.7090881958        6.8559844203
 Pt         1.4344519011       13.5813127619        4.5301355223
 Pt         4.0843567255       12.0504819418        2.2106472318
 Pt         4.4590648219       11.8421827733        9.1932620176
 Pt         5.3407316764       12.9226366052       -0.1208231289
 Pt         5.7205545063       12.7099729734        6.8586506506
 Pt         4.2095140216       13.5808317511        4.5340905674
 Pt         6.8585672618       12.0498456538        2.2134832652
 Pt         7.2352400403       11.8384208806        9.1866457572
 Pt         8.1150774096       12.9228469924       -0.1195891481
 Pt         8.4948750022       12.7103720876        6.8561046190
 Pt         6.9846159362       13.5800572678        4.5337138232
  O         4.3613055068        7.1331240714       11.6237716519
  H         5.2390734784        7.5097559847       11.8296095407
  H         4.4249797814        6.1878476368       11.8607359143
     183
 i =       93, E =    -21650.0193598389
 Pt        -0.0771454412        0.0364949303        2.2097664751
 Pt         0.2947853003       -0.1769865233        9.1884681827
 Pt         1.1810351892        0.9094745447       -0.1208838259
 Pt         1.5561355055        0.6958087598        6.8554026962
 Pt         0.0481384867        1.5684061876        4.5329447810
 Pt         2.6985599854        0.0382717387        2.2085057905
 Pt         3.0683098129       -0.1774229146        9.1853871298
 Pt         3.9547997836        0.9087349643       -0.1242581572
 Pt         4.3316571183        0.6980538763        6.8567266686
 Pt         2.8217537483        1.5702995376        4.5333076806
 Pt         5.4709573975        0.0375174668        2.2090536120
 Pt         5.8442737990       -0.1775389120        9.1857472857
 Pt         6.7294790385        0.9085182287       -0.1203872701
 Pt         7.1062002486        0.6969214979        6.8533114431
 Pt         5.5934088631        1.5700039686        4.5323488693
 Pt         8.2465086962        0.0355486845        2.2069952286
 Pt         8.6193638014       -0.1756503209        9.1859432645
 Pt         9.5045537239        0.9100708052       -0.1219559900
 Pt         9.8800555428        0.6957139764        6.8532133256
 Pt         8.3701738118        1.5672725600        4.5294598507
 Pt        11.0213563906        0.0362583106        2.2099046231
 Pt        11.3942897606       -0.1741951292        9.1877543890
 Pt        12.2795899591        0.9084760999       -0.1200293810
 Pt        12.6542303507        0.6965969738        6.8576516014
 Pt        11.1471901858        1.5677452101        4.5337259224
 Pt        13.7963109240        0.0360567765        2.2122397542
 Pt        14.1688757627       -0.1741533394        9.1874709160
 Pt        15.0534895919        0.9090098227       -0.1175835294
 Pt        15.4291833367        0.6973865193        6.8545912691
 Pt        13.9211692514        1.5675426664        4.5352957841
 Pt        -1.4651274809        2.4393123651        2.2116066804
 Pt        -1.0948320856        2.2238515393        9.1875751622
 Pt        -0.2058366197        3.3118724855       -0.1211881930
 Pt         0.1689619376        3.0988971066        6.8584050752
 Pt        -1.3407663179        3.9714495847        4.5339152035
 Pt         1.3098887268        2.4396343184        2.2118346594
 Pt         1.6809757859        2.2228193848        9.1863951185
 Pt         2.5675309625        3.3132008665       -0.1125089111
 Pt         2.9445648187        3.0994338968        6.8570201198
 Pt         1.4334155258        3.9739824999        4.5383953652
 Pt         4.0861098900        2.4396225573        2.2110651020
 Pt         4.4560438711        2.2242448713        9.1924396925
 Pt         5.3440238390        3.3137760113       -0.1105073481
 Pt         5.7178574694        3.1000792148        6.8587521674
 Pt         4.2092810729        3.9796640923        4.5460250203
 Pt         6.8606337005        2.4391607999        2.2101487686
 Pt         7.2308112536        2.2242348803        9.1832133472
 Pt         8.1171804058        3.3140632969       -0.1234320593
 Pt         8.4930544513        3.0998629288        6.8523766992
 Pt         6.9843502030        3.9710898336        4.5376533250
 Pt         9.6339137874        2.4385271703        2.2080077959
 Pt        10.0062232553        2.2266014260        9.1826420122
 Pt        10.8918001397        3.3119507935       -0.1225793810
 Pt        11.2677245698        3.1003814625        6.8547991761
 Pt         9.7596200143        3.9700249334        4.5297384767
 Pt        12.4083229444        2.4389615556        2.2100804160
 Pt        12.7805710306        2.2267196188        9.1873784807
 Pt        13.6668724588        3.3112592864       -0.1205336684
 Pt        14.0418246774        3.1014785709        6.8573865187
 Pt        12.5333319900        3.9700072411        4.5331742353
 Pt        -2.8533551340        4.8420172969        2.2091183378
 Pt        -2.4818764230        4.6275514855        9.1876615489
 Pt        -1.5951880820        5.7144818835       -0.1216425136
 Pt        -1.2173134351        5.5023880936        6.8565168672
 Pt        -2.7286144740        6.3746535409        4.5302535181
 Pt        -0.0784956379        4.8415337383        2.2103450990
 Pt         0.2895078984        4.6244925965        9.1951631621
 Pt         1.1820777150        5.7161250868       -0.1172578641
 Pt         1.5570494762        5.4991196600        6.8653491642
 Pt         0.0468163178        6.3727239888        4.5327834126
 Pt         2.6974936195        4.8422238485        2.2222160452
 Pt         3.0568343632        4.6130827345        9.2065073550
 Pt         3.9556064916        5.7149113900       -0.1033952422
 Pt         4.3310892986        5.5076573709        6.9093763254
 Pt         2.8239835853        6.3742814190        4.5535326943
 Pt         5.4725892984        4.8425709679        2.2260862943
 Pt         5.8515374304        4.6146513152        9.2076762885
 Pt         6.7273706145        5.7160748205       -0.1137008431
 Pt         7.1030157953        5.5034055941        6.8707276455
 Pt         5.5928105337        6.3730976428        4.5688793904
 Pt         8.2465885544        4.8415257364        2.2107365058
 Pt         8.6202998296        4.6289734826        9.1828618927
 Pt         9.5025194354        5.7140312143       -0.1242215220
 Pt         9.8802338058        5.5036769224        6.8518700438
 Pt         8.3701561980        6.3724240458        4.5373359302
 Pt        11.0209756400        4.8422854617        2.2076610772
 Pt        11.3936190156        4.6303276534        9.1821194313
 Pt        12.2781012592        5.7137672034       -0.1226814238
 Pt        12.6557002981        5.5049740715        6.8526296479
 Pt        11.1451261879        6.3752958547        4.5287898764
 Pt        -4.2396048526        7.2451895971        2.2063603111
 Pt        -3.8673227031        7.0323369586        9.1863776009
 Pt        -2.9825713513        8.1178824577       -0.1230613106
 Pt        -2.6058542971        7.9065916323        6.8538795408
 Pt        -4.1152465947        8.7774974210        4.5309945911
 Pt        -1.4658060213        7.2452714553        2.2078719395
 Pt        -1.0964180587        7.0315578233        9.1830634438
 Pt        -0.2067493548        8.1181724977       -0.1210890538
 Pt         0.1679294687        7.9059908353        6.8492572704
 Pt        -1.3386219671        8.7764507799        4.5278715607
 Pt         1.3085031473        7.2446194852        2.2123380787
 Pt         1.6644082762        7.0274409175        9.1848556317
 Pt         2.5674035199        8.1177550652       -0.1156331240
 Pt         2.9413670144        7.9045701907        6.8815917989
 Pt         1.4397107348        8.7731070957        4.5296970049
 Pt         4.0816684944        7.2447574573        2.2284375205
 Pt         4.4580540489        7.0302583448        9.2713230853
 Pt         5.3421698473        8.1173061519       -0.1029356393
 Pt         5.7134705476        7.9013541745        6.9053681194
 Pt         4.2083199185        8.7711847035        4.5532175489
 Pt         6.8571791584        7.2414731942        2.2261617147
 Pt         7.2472910951        7.0323321518        9.2056671410
 Pt         8.1157573204        8.1153463174       -0.1100456667
 Pt         8.4921133109        7.9060117247        6.8579341018
 Pt         6.9753947106        8.7700377741        4.5448607987
 Pt         9.6335364042        7.2433468369        2.2094364900
 Pt        10.0077705290        7.0349936779        9.1829681424
 Pt        10.8924209113        8.1183631475       -0.1212567589
 Pt        11.2681124804        7.9061186854        6.8532546558
 Pt         9.7547196004        8.7778313993        4.5319931587
 Pt        -5.6286196062        9.6474262847        2.2088072420
 Pt        -5.2527657874        9.4362177710        9.1868533525
 Pt        -4.3693816814       10.5199864258       -0.1196970372
 Pt        -3.9932053252       10.3088650962        6.8561620531
 Pt        -5.5031373932       11.1792915893        4.5340041580
 Pt        -2.8531390280        9.6493499143        2.2057102199
 Pt        -2.4800685591        9.4360993375        9.1850536692
 Pt        -1.5953145524       10.5214051364       -0.1292350578
 Pt        -1.2193366761       10.3094697627        6.8510406228
 Pt        -2.7274290428       11.1795120923        4.5309087369
 Pt        -0.0799901047        9.6490730075        2.2044614617
 Pt         0.2920004723        9.4366904074        9.1791355662
 Pt         1.1800034404       10.5206577826       -0.1213946338
 Pt         1.5549533314       10.3085544108        6.8484042260
 Pt         0.0483134478       11.1782733504        4.5276574235
 Pt         2.6964723889        9.6482993044        2.2121791605
 Pt         3.0635407507        9.4508203724        9.1823846013
 Pt         3.9545080448       10.5187217483       -0.1167262268
 Pt         4.3334632779       10.3077125708        6.8635506579
 Pt         2.8229710555       11.1793709884        4.5326264040
 Pt         5.4709109497        9.6454917793        2.2230383879
 Pt         5.8516135862        9.4529408637        9.2014747582
 Pt         6.7280627547       10.5202877749       -0.1102726859
 Pt         7.1065450803       10.3072022470        6.8554002055
 Pt         5.5934636140       11.1774890512        4.5386397319
 Pt         8.2462518773        9.6452980641        2.2115601936
 Pt         8.6204671473        9.4368877792        9.1919903462
 Pt         9.5044748631       10.5208715528       -0.1231742775
 Pt         9.8800624278       10.3073032562        6.8569642640
 Pt         8.3693090280       11.1778754685        4.5332499843
 Pt        -7.0148473394       12.0486801828        2.2090394555
 Pt        -6.6411509396       11.8396810084        9.1859269596
 Pt        -5.7575992778       12.9241692315       -0.1196395206
 Pt        -5.3795443100       12.7110359782        6.8563158410
 Pt        -6.8891938913       13.5824929726        4.5310200968
 Pt        -4.2412611152       12.0516739564        2.2105182757
 Pt        -3.8667098613       11.8384393624        9.1863672404
 Pt        -2.9814048088       12.9246451653       -0.1194036134
 Pt        -2.6060799732       12.7122017059        6.8556152144
 Pt        -4.1153221710       13.5833135369        4.5339856766
 Pt        -1.4669006669       12.0506630842        2.2058115354
 Pt        -1.0930380008       11.8390987169        9.1838432693
 Pt        -0.2081714516       12.9245527763       -0.1228369027
 Pt         0.1685190258       12.7119025536        6.8534094703
 Pt        -1.3408680298       13.5823786140        4.5310634059
 Pt         1.3092567380       12.0510953555        2.2079394529
 Pt         1.6807847252       11.8413088427        9.1818291647
 Pt         2.5671512003       12.9245679993       -0.1213520514
 Pt         2.9449838952       12.7104139072        6.8563988189
 Pt         1.4339822770       13.5825581744        4.5308588065
 Pt         4.0851762844       12.0509732281        2.2108390877
 Pt         4.4579099039       11.8431678172        9.1928359316
 Pt         5.3428519242       12.9227463024       -0.1202781417
 Pt         5.7196542528       12.7113302966        6.8582313895
 Pt         4.2091423721       13.5820170441        4.5344382958
 Pt         6.8594359595       12.0501823220        2.2131657394
 Pt         7.2339730286       11.8398319899        9.1857020494
 Pt         8.1170266738       12.9228933590       -0.1198002162
 Pt         8.4940562646       12.7119237193        6.8553584537
 Pt         6.9844187721       13.5813331126        4.5333412660
  O         4.3604920703        7.1331654108       11.6241080975
  H         5.2376231002        7.5090182237       11.8327234102
  H         4.4229212721        6.1877527712       11.8605169097
     183
 i =       94, E =    -21650.0193669999
 Pt        -0.0765690108        0.0371809983        2.2097622881
 Pt         0.2938585747       -0.1755483517        9.1881495392
 Pt         1.1825884609        0.9099599117       -0.1207422563
 Pt         1.5556837607        0.6971573081        6.8551304633
 Pt         0.0480786596        1.5697232979        4.5328678168
 Pt         2.6991696491        0.0391641956        2.2085035783
 Pt         3.0673039818       -0.1757862494        9.1857693326
 Pt         3.9564159865        0.9090964174       -0.1240706545
 Pt         4.3310201836        0.6992521302        6.8569553072
 Pt         2.8218122435        1.5716966259        4.5331072980
 Pt         5.4716833573        0.0384012462        2.2091975974
 Pt         5.8432256319       -0.1759169870        9.1864164141
 Pt         6.7314563013        0.9088814137       -0.1201245678
 Pt         7.1054042613        0.6982454246        6.8538963935
 Pt         5.5931364997        1.5713453637        4.5324230121
 Pt         8.2474183128        0.0364150832        2.2075811715
 Pt         8.6184861638       -0.1744125640        9.1867071064
 Pt         9.5067106090        0.9104270038       -0.1214878457
 Pt         9.8792232576        0.6972269668        6.8537001688
 Pt         8.3697081723        1.5685412407        4.5299503315
 Pt        11.0222804227        0.0369993098        2.2103397178
 Pt        11.3935598383       -0.1730478991        9.1876138162
 Pt        12.2815008636        0.9089468101       -0.1197290442
 Pt        12.6535321321        0.6980329824        6.8575888870
 Pt        11.1467596812        1.5690359714        4.5339986625
 Pt        13.7970333724        0.0367853629        2.2125893901
 Pt        14.1680324923       -0.1728342121        9.1871166085
 Pt        15.0551509432        0.9095973933       -0.1171267543
 Pt        15.4286529812        0.6988803309        6.8543319753
 Pt        13.9209087720        1.5688843708        4.5354403817
 Pt        -1.4642927451        2.4401538168        2.2119987350
 Pt        -1.0957264459        2.2253494031        9.1871956800
 Pt        -0.2043123621        3.3123356147       -0.1210382545
 Pt         0.1687041804        3.1004104756        6.8583392920
 Pt        -1.3407619414        3.9728445135        4.5341659792
 Pt         1.3107470954        2.4404931942        2.2117572665
 Pt         1.6800772232        2.2242047236        9.1862853139
 Pt         2.5691388736        3.3136677653       -0.1129777650
 Pt         2.9441672764        3.1006960006        6.8567624531
 Pt         1.4333696483        3.9752619368        4.5382711050
 Pt         4.0868997173        2.4406093195        2.2106084772
 Pt         4.4551781425        2.2255931610        9.1929108426
 Pt         5.3457849515        3.3136751105       -0.1116479024
 Pt         5.7171694510        3.1011246243        6.8588290747
 Pt         4.2091278357        3.9810631690        4.5453953873
 Pt         6.8612589982        2.4399657680        2.2102967292
 Pt         7.2300240594        2.2253660334        9.1840735886
 Pt         8.1191545653        3.3141815022       -0.1230996060
 Pt         8.4921409370        3.1011365875        6.8527734948
 Pt         6.9838172613        3.9724114996        4.5375242500
 Pt         9.6346547993        2.4393254200        2.2085173601
 Pt        10.0052926448        2.2277696484        9.1830693455
 Pt        10.8938307927        3.3124332237       -0.1220217864
 Pt        11.2668568930        3.1018076866        6.8548320180
 Pt         9.7590303603        3.9713298489        4.5300653201
 Pt        12.4091126483        2.4397766179        2.2104066949
 Pt        12.7795673679        2.2282148176        9.1869371988
 Pt        13.6686345967        3.3119045442       -0.1201632102
 Pt        14.0413196230        3.1030450441        6.8573240401
 Pt        12.5330159846        3.9713448490        4.5333180076
 Pt        -2.8524826212        4.8428010507        2.2095018140
 Pt        -2.4827266919        4.6290369480        9.1877101150
 Pt        -1.5933967604        5.7150791974       -0.1214845295
 Pt        -1.2177200382        5.5040149032        6.8566764394
 Pt        -2.7287634707        6.3759499435        4.5306554110
 Pt        -0.0776114247        4.8423091646        2.2104601238
 Pt         0.2889530235        4.6260884163        9.1945943697
 Pt         1.1837159125        5.7164526951       -0.1173961790
 Pt         1.5568707099        5.5009102960        6.8647135428
 Pt         0.0466902309        6.3742265532        4.5329004025
 Pt         2.6982300776        4.8432524892        2.2215092429
 Pt         3.0563437260        4.6143732113        9.2055779048
 Pt         3.9576625347        5.7150828740       -0.1042063626
 Pt         4.3309452983        5.5088864119        6.9083916537
 Pt         2.8236386204        6.3758143471        4.5527568813
 Pt         5.4731657327        4.8434284853        2.2247866047
 Pt         5.8512910983        4.6156812844        9.2073822126
 Pt         6.7296674810        5.7158025737       -0.1149985607
 Pt         7.1026399552        5.5046051012        6.8703790228
 Pt         5.5923956879        6.3744359718        4.5676834221
 Pt         8.2469942156        4.8423155746        2.2108595022
 Pt         8.6196610788        4.6300154910        9.1835392140
 Pt         9.5046470983        5.7143429095       -0.1237678928
 Pt         9.8794356237        5.5049578056        6.8521802873
 Pt         8.3695421965        6.3737700946        4.5372328389
 Pt        11.0215709015        4.8431193097        2.2082120168
 Pt        11.3926147452        4.6316498601        9.1822501626
 Pt        12.2800832186        5.7144092950       -0.1219901354
 Pt        12.6549424559        5.5062965417        6.8527885116
 Pt        11.1446746042        6.3765151561        4.5292364000
 Pt        -4.2390546152        7.2458948056        2.2070020774
 Pt        -3.8681147014        7.0336583969        9.1867184087
 Pt        -2.9807160312        8.1184946528       -0.1223444616
 Pt        -2.6066597458        7.9079821790        6.8543122377
 Pt        -4.1157951899        8.7786640108        4.5313048596
 Pt        -1.4650436073        7.2459734537        2.2082091658
 Pt        -1.0971310291        7.0331224080        9.1833448776
 Pt        -0.2049128508        8.1186713105       -0.1207549312
 Pt         0.1672820453        7.9077834959        6.8495735649
 Pt        -1.3391601708        8.7778491114        4.5284326451
 Pt         1.3091150528        7.2454831033        2.2121704993
 Pt         1.6641212943        7.0290657484        9.1841680706
 Pt         2.5694068156        8.1180575826       -0.1156919711
 Pt         2.9410548220        7.9059821410        6.8807595709
 Pt         1.4390600712        8.7746998462        4.5296908824
 Pt         4.0822480976        7.2456718421        2.2276284836
 Pt         4.4580348017        7.0312749298        9.2702514058
 Pt         5.3445336323        8.1172971310       -0.1036541226
 Pt         5.7133530358        7.9024937002        6.9042942477
 Pt         4.2077768065        8.7726863953        4.5525247032
 Pt         6.8576420898        7.2421752476        2.2249658536
 Pt         7.2472761797        7.0334299582        9.2053054210
 Pt         8.1180567419        8.1154425143       -0.1110471646
 Pt         8.4918276933        7.9074525554        6.8578369440
 Pt         6.9748609971        8.7712876852        4.5440781310
 Pt         9.6338894877        7.2441003133        2.2096836888
 Pt        10.0072906866        7.0362899759        9.1835563844
 Pt        10.8943734389        8.1189198160       -0.1208381660
 Pt        11.2673859678        7.9074280481        6.8535256307
 Pt         9.7541351261        8.7789787484        4.5319450447
 Pt        -5.6283303965        9.6481798997        2.2088565237
 Pt        -5.2534111440        9.4377551279        9.1868683727
 Pt        -4.3675943398       10.5206536240       -0.1194857113
 Pt        -3.9939405925       10.3103359363        6.8560967918
 Pt        -5.5037209803       11.1804829085        4.5335902115
 Pt        -2.8527224550        9.6500671936        2.2062862690
 Pt        -2.4810112616        9.4375992441        9.1854179511
 Pt        -1.5933107581       10.5217984152       -0.1280622302
 Pt        -1.2202319703       10.3110456635        6.8515452102
 Pt        -2.7281117512       11.1808492158        4.5309902853
 Pt        -0.0794462251        9.6498773442        2.2050224249
 Pt         0.2910833759        9.4382970652        9.1794327351
 Pt         1.1819562255       10.5211005963       -0.1206986949
 Pt         1.5541903337       10.3101826074        6.8486675231
 Pt         0.0475946407       11.1798098783        4.5282677831
 Pt         2.6969779147        9.6491863629        2.2121291313
 Pt         3.0630084833        9.4517764793        9.1817758762
 Pt         3.9566655494       10.5189403166       -0.1166878561
 Pt         4.3330121738       10.3089811130        6.8631684094
 Pt         2.8223516497       11.1807657984        4.5327411624
 Pt         5.4714718209        9.6462469065        2.2224269051
 Pt         5.8513843275        9.4538001575        9.2005172066
 Pt         6.7301878659       10.5202866326       -0.1110631023
 Pt         7.1061742755       10.3086543491        6.8548714793
 Pt         5.5930181020       11.1788845202        4.5383618467
 Pt         8.2466323686        9.6458155196        2.2108325008
 Pt         8.6201363469        9.4382968800        9.1916619115
 Pt         9.5062414286       10.5213557426       -0.1236813586
 Pt         9.8795936606       10.3089327907        6.8566569346
 Pt         8.3688534127       11.1789876861        4.5327680408
 Pt        -7.0145121701       12.0493100831        2.2087084361
 Pt        -6.6418933987       11.8413405202        9.1856481487
 Pt        -5.7559741337       12.9247066813       -0.1195276119
 Pt        -5.3801063775       12.7125671815        6.8560197619
 Pt        -6.8894281176       13.5837698250        4.5305813853
 Pt        -4.2408354446       12.0525333427        2.2103626772
 Pt        -3.8676888136       11.8401492919        9.1863396104
 Pt        -2.9795148353       12.9252147658       -0.1192867432
 Pt        -2.6067886686       12.7136793463        6.8557889897
 Pt        -4.1156871588       13.5846057297        4.5337546489
 Pt        -1.4663022263       12.0515693445        2.2063659943
 Pt        -1.0941696091       11.8406892077        9.1843103482
 Pt        -0.2061223078       12.9250589502       -0.1220483255
 Pt         0.1677015801       12.7135067866        6.8540660529
 Pt        -1.3413752259       13.5837604551        4.5314509232
 Pt         1.3099744986       12.0519556435        2.2085391962
 Pt         1.6800228181       11.8425309969        9.1820214797
 Pt         2.5692282358       12.9248996620       -0.1208341665
 Pt         2.9442442107       12.7117810217        6.8565476129
 Pt         1.4335447133       13.5839095793        4.5314562565
 Pt         4.0858453630       12.0516847218        2.2110277150
 Pt         4.4572631623       11.8441411754        9.1925510324
 Pt         5.3448571159       12.9231359436       -0.1198808290
 Pt         5.7190307173       12.7126923535        6.8580993273
 Pt         4.2087722868       13.5832622610        4.5346950280
 Pt         6.8600011517       12.0506776295        2.2129368433
 Pt         7.2333036847       11.8410802076        9.1852000113
 Pt         8.1186494399       12.9232761482       -0.1198832304
 Pt         8.4934690420       12.7134680463        6.8548443974
 Pt         6.9841317883       13.5825708020        4.5332652879
  O         4.3599706035        7.1339039257       11.6241523301
  H         5.2365811226        7.5090870003       11.8347788093
  H         4.4210154872        6.1882778049       11.8603639759
     183
 i =       95, E =    -21650.0193754495
 Pt        -0.0763429808        0.0382647961        2.2097111254
 Pt         0.2943270341       -0.1745032793        9.1879661836
 Pt         1.1833850927        0.9112502643       -0.1205561415
 Pt         1.5557756053        0.6984241023        6.8549427985
 Pt         0.0480739275        1.5712233304        4.5328326638
 Pt         2.6995154463        0.0404112121        2.2085661136
 Pt         3.0676372716       -0.1747721219        9.1859258767
 Pt         3.9573250182        0.9102123658       -0.1238046861
 Pt         4.3309455468        0.7003550938        6.8572166138
 Pt         2.8218534096        1.5731880511        4.5329029059
 Pt         5.4723436760        0.0397322211        2.2094136876
 Pt         5.8435470198       -0.1748262233        9.1872685494
 Pt         6.7327066201        0.9096746930       -0.1197315843
 Pt         7.1050579286        0.6996207091        6.8546691966
 Pt         5.5929882109        1.5729385788        4.5325768549
 Pt         8.2481218462        0.0378018479        2.2082722512
 Pt         8.6188791699       -0.1734286245        9.1874419441
 Pt         9.5081924372        0.9113410959       -0.1210075352
 Pt         9.8787663301        0.6987957270        6.8538665729
 Pt         8.3692988002        1.5702905806        4.5305016176
 Pt        11.0228292291        0.0383510667        2.2104969748
 Pt        11.3940491285       -0.1721825120        9.1870371717
 Pt        12.2829185405        0.9101615759       -0.1196474146
 Pt        12.6533875697        0.6994180519        6.8571545901
 Pt        11.1463858602        1.5707236144        4.5339887243
 Pt        13.7973824150        0.0380429326        2.2124692443
 Pt        14.1685583089       -0.1718938132        9.1869486455
 Pt        15.0562548128        0.9108847795       -0.1170229513
 Pt        15.4287123178        0.7001856942        6.8541587243
 Pt        13.9207607445        1.5704679050        4.5352141718
 Pt        -1.4635906948        2.4414475750        2.2120526098
 Pt        -1.0951861075        2.2264862144        9.1869671261
 Pt        -0.2033074907        3.3135704614       -0.1211894163
 Pt         0.1690412774        3.1017031173        6.8582781190
 Pt        -1.3406595918        3.9744513628        4.5340977395
 Pt         1.3113648886        2.4417620969        2.2117429128
 Pt         1.6806235401        2.2251891966        9.1863639978
 Pt         2.5700181309        3.3149802691       -0.1131464615
 Pt         2.9442743047        3.1017452680        6.8565483253
 Pt         1.4333304097        3.9766704113        4.5380365493
 Pt         4.0874429358        2.4420406409        2.2102241441
 Pt         4.4556009241        2.2264839738        9.1937665169
 Pt         5.3468139906        3.3146124044       -0.1122718939
 Pt         5.7167507480        3.1021042573        6.8590602118
 Pt         4.2088083481        3.9825638841        4.5445694084
 Pt         6.8617068646        2.4412989059        2.2103868899
 Pt         7.2304807632        2.2261987612        9.1851359708
 Pt         8.1204747082        3.3148626703       -0.1229417729
 Pt         8.4914931151        3.1025443878        6.8533992036
 Pt         6.9831306622        3.9740488599        4.5375461218
 Pt         9.6351446475        2.4406859102        2.2088771333
 Pt        10.0057469748        2.2285152138        9.1833961012
 Pt        10.8953159362        3.3135919924       -0.1215757731
 Pt        11.2664526580        3.1031076245        6.8547574870
 Pt         9.7583614122        3.9730078333        4.5304360985
 Pt        12.4097381380        2.4411230645        2.2105045836
 Pt        12.7800361810        2.2290539317        9.1864105943
 Pt        13.6699746095        3.3134123735       -0.1199650470
 Pt        14.0414519639        3.1042740179        6.8569975024
 Pt        12.5328203183        3.9728613775        4.5333178980
 Pt        -2.8517258907        4.8441139508        2.2097385003
 Pt        -2.4823001291        4.6300204017        9.1872427202
 Pt        -1.5921044655        5.7165496804       -0.1215109996
 Pt        -1.2176620879        5.5054368381        6.8565026443
 Pt        -2.7288568192        6.3774048190        4.5309964909
 Pt        -0.0769041466        4.8436809556        2.2101882903
 Pt         0.2896234048        4.6274514427        9.1939000767
 Pt         1.1849817027        5.7175421626       -0.1178678072
 Pt         1.5570861776        5.5025378708        6.8638857987
 Pt         0.0465399935        6.3759210203        4.5326980566
 Pt         2.6986261071        4.8448793335        2.2206129241
 Pt         3.0570749062        4.6155074332        9.2044611488
 Pt         3.9594150333        5.7159710575       -0.1053782723
 Pt         4.3310725102        5.5100587620        6.9069713911
 Pt         2.8232220037        6.3773944706        4.5516819669
 Pt         5.4734588151        4.8449174459        2.2236234222
 Pt         5.8520078291        4.6166220645        9.2069517548
 Pt         6.7313251694        5.7165903851       -0.1156069748
 Pt         7.1025294626        5.5058785394        6.8699085726
 Pt         5.5918457590        6.3760623131        4.5662089848
 Pt         8.2472994366        4.8434666452        2.2109719564
 Pt         8.6201799620        4.6305537915        9.1845195371
 Pt         9.5062361979        5.7153422147       -0.1231915236
 Pt         9.8789203428        5.5061333336        6.8528162157
 Pt         8.3688863369        6.3753978515        4.5372566729
 Pt        11.0220906311        4.8443720054        2.2086642977
 Pt        11.3929432160        4.6322129827        9.1825604625
 Pt        12.2815518796        5.7160758433       -0.1213141055
 Pt        12.6546104725        5.5073270907        6.8528743056
 Pt        11.1442147115        6.3778131356        4.5298495669
 Pt        -4.2386471406        7.2470841407        2.2078019474
 Pt        -3.8679218262        7.0343791650        9.1868669520
 Pt        -2.9794278427        8.1201155279       -0.1214874718
 Pt        -2.6071766802        7.9092523193        6.8546456368
 Pt        -4.1162566450        8.7799618267        4.5317153707
 Pt        -1.4645483840        7.2473323179        2.2083949781
 Pt        -1.0968112700        7.0342841278        9.1830662512
 Pt        -0.2034633595        8.1197844372       -0.1208192582
 Pt         0.1669685685        7.9095511904        6.8495646586
 Pt        -1.3396550942        8.7794752467        4.5290137336
 Pt         1.3094553270        7.2469827428        2.2116120157
 Pt         1.6649580877        7.0306551584        9.1828675149
 Pt         2.5711388447        8.1190077607       -0.1159626077
 Pt         2.9412363871        7.9076309202        6.8794738266
 Pt         1.4384416841        8.7763895654        4.5295891268
 Pt         4.0825647227        7.2471503026        2.2265946540
 Pt         4.4590167160        7.0326550936        9.2685711592
 Pt         5.3466328622        8.1179750165       -0.1046728361
 Pt         5.7137203645        7.9037220494        6.9029575603
 Pt         4.2073115876        8.7744146843        4.5515861537
 Pt         6.8580263690        7.2434741385        2.2240630474
 Pt         7.2481794514        7.0340728352        9.2048264210
 Pt         8.1196546968        8.1166413504       -0.1117058677
 Pt         8.4919770545        7.9088740942        6.8577816695
 Pt         6.9744150096        8.7729127489        4.5433116690
 Pt         9.6341665236        7.2452455833        2.2100431966
 Pt        10.0078397547        7.0367980803        9.1844092954
 Pt        10.8956765901        8.1203752697       -0.1201636448
 Pt        11.2669920402        7.9085860254        6.8539368996
 Pt         9.7537015778        8.7803994932        4.5319370405
 Pt        -5.6282788619        9.6494151553        2.2089997840
 Pt        -5.2531991553        9.4386748695        9.1866994016
 Pt        -4.3664290769       10.5221869622       -0.1190382123
 Pt        -3.9943073074       10.3117659863        6.8559185173
 Pt        -5.5040830471       11.1819345906        4.5330245353
 Pt        -2.8525546889        9.6513521702        2.2070123472
 Pt        -2.4810843085        9.4386312278        9.1856069300
 Pt        -1.5917887935       10.5228977183       -0.1269665973
 Pt        -1.2207537356       10.3125711782        6.8522289104
 Pt        -2.7285721751       11.1823634068        4.5311839453
 Pt        -0.0791045301        9.6511843424        2.2054942749
 Pt         0.2911774104        9.4395885697        9.1796226395
 Pt         1.1836467325       10.5219608606       -0.1202511127
 Pt         1.5539576061       10.3118583037        6.8488549619
 Pt         0.0470352461       11.1814490849        4.5290516808
 Pt         2.6973115852        9.6505078532        2.2119106934
 Pt         3.0635531973        9.4528796339        9.1808517230
 Pt         3.9583608582       10.5197880463       -0.1169290494
 Pt         4.3332660443       10.3103789205        6.8625147630
 Pt         2.8218120144       11.1823053500        4.5326616900
 Pt         5.4717483986        9.6475558887        2.2216011971
 Pt         5.8521260364        9.4546726269        9.1995677704
 Pt         6.7314781945       10.5213375959       -0.1121053793
 Pt         7.1064566550       10.3101354727        6.8544055927
 Pt         5.5926296991       11.1804255788        4.5378842615
 Pt         8.2467317313        9.6469916211        2.2101189585
 Pt         8.6207676740        9.4390944708        9.1915843540
 Pt         9.5073400614       10.5227899566       -0.1243464457
 Pt         9.8795785915       10.3105221349        6.8561957239
 Pt         8.3684426574       11.1803980111        4.5321440053
 Pt        -7.0145748658       12.0504490492        2.2082779375
 Pt        -6.6415533537       11.8423854417        9.1850443152
 Pt        -5.7550919253       12.9261847359       -0.1195063713
 Pt        -5.3801465007       12.7140577380        6.8553579285
 Pt        -6.8896434654       13.5852467297        4.5300883325
 Pt        -4.2405812351       12.0538531357        2.2102943562
 Pt        -3.8676021685       11.8412981883        9.1861176015
 Pt        -2.9782426351       12.9263177987       -0.1189760716
 Pt        -2.6069445607       12.7150870861        6.8560515974
 Pt        -4.1157825795       13.5861411094        4.5334089245
 Pt        -1.4658132726       12.0529267049        2.2071198013
 Pt        -1.0941684576       11.8417904051        9.1851618758
 Pt        -0.2045293868       12.9259687015       -0.1210705001
 Pt         0.1673741368       12.7150621845        6.8548037566
 Pt        -1.3416237835       13.5853899309        4.5320219491
 Pt         1.3104703678       12.0531887286        2.2090637923
 Pt         1.6802842747       11.8436632412        9.1819941529
 Pt         2.5708583230       12.9258173971       -0.1205769449
 Pt         2.9440458630       12.7132118377        6.8562679418
 Pt         1.4331866333       13.5855737196        4.5318572863
 Pt         4.0861200595       12.0529303129        2.2108037692
 Pt         4.4576850266       11.8450727957        9.1921367184
 Pt         5.3461612484       12.9242304669       -0.1201131777
 Pt         5.7190226292       12.7140551377        6.8578072059
 Pt         4.2084273702       13.5848142463        4.5344888098
 Pt         6.8600432823       12.0517704733        2.2123397140
 Pt         7.2338407634       11.8420203145        9.1849510234
 Pt         8.1194859448       12.9244787061       -0.1202978186
 Pt         8.4934575274       12.7149983914        6.8543602688
 Pt         6.9838409910       13.5840507637        4.5329797739
  O         4.3596600215        7.1349720122       11.6241083283
  H         5.2358012024        7.5100272135       11.8363663636
  H         4.4194138020        6.1891911859       11.8606140009
     183
 i =       96, E =    -21650.0193822362
 Pt        -0.0760187817        0.0390399219        2.2102914694
 Pt         0.2950717730       -0.1738310093        9.1886014906
 Pt         1.1842052909        0.9122719461       -0.1198288231
 Pt         1.5557445635        0.6993706394        6.8554689860
 Pt         0.0479447489        1.5721913703        4.5335773593
 Pt         2.7000378335        0.0412014389        2.2089869851
 Pt         3.0683404520       -0.1742354625        9.1859860379
 Pt         3.9582194094        0.9111262827       -0.1234633039
 Pt         4.3309806883        0.7013103367        6.8575622083
 Pt         2.8217536760        1.5741085164        4.5332890582
 Pt         5.4730638637        0.0407682397        2.2096831186
 Pt         5.8442883251       -0.1742278127        9.1878935721
 Pt         6.7336840719        0.9101309819       -0.1194322448
 Pt         7.1048183114        0.7007825360        6.8550981186
 Pt         5.5928944367        1.5741525147        4.5328182567
 Pt         8.2487310887        0.0388552746        2.2087079053
 Pt         8.6195191990       -0.1726470674        9.1877748906
 Pt         9.5093513008        0.9120051346       -0.1207137187
 Pt         9.8784421742        0.6999832402        6.8536484114
 Pt         8.3690716172        1.5717699863        4.5307733626
 Pt        11.0232004517        0.0394375187        2.2104038652
 Pt        11.3946844499       -0.1714611434        9.1866072627
 Pt        12.2842142226        0.9111476446       -0.1195842771
 Pt        12.6533380026        0.7003717680        6.8568241188
 Pt        11.1462153512        1.5720383020        4.5337543070
 Pt        13.7977139315        0.0389389235        2.2124419978
 Pt        14.1693339073       -0.1712766380        9.1873970249
 Pt        15.0573960716        0.9118637933       -0.1168266002
 Pt        15.4287196709        0.7009668674        6.8547860798
 Pt        13.9207640077        1.5715300350        4.5351735923
 Pt        -1.4628485362        2.4423460186        2.2122525224
 Pt        -1.0943991830        2.2272094874        9.1875777800
 Pt        -0.2021624436        3.3146542869       -0.1209914330
 Pt         0.1691780895        3.1025335059        6.8588308457
 Pt        -1.3405942551        3.9754830626        4.5341368893
 Pt         1.3118778888        2.4425746360        2.2124731273
 Pt         1.6814968635        2.2259781103        9.1870806640
 Pt         2.5710010555        3.3159006123       -0.1125791449
 Pt         2.9442580910        3.1025574784        6.8569060124
 Pt         1.4331498121        3.9776584276        4.5382954869
 Pt         4.0879721897        2.4428792818        2.2105392444
 Pt         4.4563511006        2.2271836598        9.1946173331
 Pt         5.3480228327        3.3155094047       -0.1119860042
 Pt         5.7163622164        3.1031019291        6.8595306510
 Pt         4.2083963275        3.9835630643        4.5443514163
 Pt         6.8622531078        2.4424084653        2.2104833148
 Pt         7.2311651137        2.2269314797        9.1858845304
 Pt         8.1216091125        3.3154265112       -0.1230783385
 Pt         8.4909520429        3.1037675168        6.8537332139
 Pt         6.9825526565        3.9753254502        4.5377240267
 Pt         9.6356982796        2.4417359101        2.2088258319
 Pt        10.0065762129        2.2290575705        9.1833556632
 Pt        10.8965594837        3.3145091593       -0.1215526061
 Pt        11.2662473598        3.1040391126        6.8546387579
 Pt         9.7579708353        3.9742830398        4.5305623404
 Pt        12.4104651087        2.4421902015        2.2103658052
 Pt        12.7809156751        2.2293857713        9.1862810965
 Pt        13.6713379478        3.3146599781       -0.1198465469
 Pt        14.0415788002        3.1049560853        6.8568643722
 Pt        12.5327678965        3.9738865124        4.5332604745
 Pt        -2.8508828663        4.8451636572        2.2097979468
 Pt        -2.4816382776        4.6306267095        9.1867701348
 Pt        -1.5907971182        5.7178255028       -0.1212978667
 Pt        -1.2177561247        5.5063658981        6.8563541922
 Pt        -2.7290291220        6.3783635936        4.5312890203
 Pt        -0.0762706405        4.8447659582        2.2101929339
 Pt         0.2903151317        4.6285274748        9.1938279316
 Pt         1.1864104491        5.7185222860       -0.1179774776
 Pt         1.5570555742        5.5035907715        6.8636838295
 Pt         0.0463020764        6.3769666234        4.5326544766
 Pt         2.6990371239        4.8460859912        2.2203712137
 Pt         3.0578353786        4.6165729061        9.2040951910
 Pt         3.9610264489        5.7166055459       -0.1059196106
 Pt         4.3308068372        5.5111362797        6.9061018442
 Pt         2.8228586718        6.3785848683        4.5510641517
 Pt         5.4738555246        4.8462167858        2.2234439034
 Pt         5.8524054859        4.6176987958        9.2068313606
 Pt         6.7327805686        5.7174366524       -0.1152641503
 Pt         7.1021778229        5.5070520040        6.8697769918
 Pt         5.5914006860        6.3773857565        4.5654521036
 Pt         8.2479086674        4.8443015146        2.2110519292
 Pt         8.6208446861        4.6309839814        9.1852957071
 Pt         9.5075767930        5.7161951795       -0.1228945569
 Pt         9.8784470540        5.5069922030        6.8532227806
 Pt         8.3684293316        6.3765543223        4.5373617640
 Pt        11.0228464809        4.8452342058        2.2086944692
 Pt        11.3937171725        4.6323629761        9.1827700186
 Pt        12.2828976520        5.7175079981       -0.1209750031
 Pt        12.6543156982        5.5079701390        6.8529402742
 Pt        11.1438660889        6.3786117863        4.5302375329
 Pt        -4.2380733138        7.2479988846        2.2083932322
 Pt        -3.8676023235        7.0348056044        9.1868382064
 Pt        -2.9781165501        8.1215924510       -0.1207778265
 Pt        -2.6076922256        7.9101686017        6.8548687136
 Pt        -4.1165939200        8.7808450662        4.5321280498
 Pt        -1.4640402198        7.2485778845        2.2086040153
 Pt        -1.0964548062        7.0351115818        9.1826761055
 Pt        -0.2019483129        8.1207003304       -0.1207688158
 Pt         0.1665869985        7.9107796002        6.8495435273
 Pt        -1.3400017793        8.7805705514        4.5295162225
 Pt         1.3097983895        7.2481545586        2.2114964107
 Pt         1.6655258468        7.0319116526        9.1820172224
 Pt         2.5728653407        8.1197159292       -0.1160937038
 Pt         2.9411597831        7.9090899641        6.8786600823
 Pt         1.4380342211        8.7774995968        4.5296719332
 Pt         4.0830335537        7.2484282081        2.2258544534
 Pt         4.4594027698        7.0342216855        9.2673755903
 Pt         5.3484361794        8.1185476498       -0.1052280402
 Pt         5.7136847515        7.9048675179        6.9022804649
 Pt         4.2070195073        8.7757034449        4.5509984320
 Pt         6.8587040873        7.2445900969        2.2240261455
 Pt         7.2485658767        7.0345045273        9.2045931426
 Pt         8.1209994917        8.1176687135       -0.1116449747
 Pt         8.4918864297        7.9099006105        6.8578797819
 Pt         6.9742212136        8.7742049855        4.5431165701
 Pt         9.6347914905        7.2460300219        2.2103563988
 Pt        10.0083747240        7.0369065683        9.1849820142
 Pt        10.8968250986        8.1216456503       -0.1196400787
 Pt        11.2665482172        7.9093245772        6.8541659354
 Pt         9.7534765067        8.7813842271        4.5319575526
 Pt        -5.6279034511        9.6504081337        2.2092447461
 Pt        -5.2530220342        9.4391295881        9.1865443989
 Pt        -4.3653615481       10.5234674506       -0.1184851418
 Pt        -3.9947148538       10.3127946520        6.8558448719
 Pt        -5.5042431361       11.1830012757        4.5328299208
 Pt        -2.8521333904        9.6525074535        2.2076636217
 Pt        -2.4809886284        9.4393325848        9.1857485967
 Pt        -1.5903001225       10.5238177912       -0.1263467811
 Pt        -1.2211785643       10.3137484666        6.8528566377
 Pt        -2.7287121510       11.1834945133        4.5316059258
 Pt        -0.0786690127        9.6523081220        2.2057690109
 Pt         0.2914725259        9.4404999810        9.1799024170
 Pt         1.1853596776       10.5225246992       -0.1199755711
 Pt         1.5537556724       10.3131004235        6.8491050906
 Pt         0.0468102452       11.1825045429        4.5297285577
 Pt         2.6977075852        9.6514614434        2.2120536347
 Pt         3.0640492587        9.4541545546        9.1804832440
 Pt         3.9598456098       10.5204239158       -0.1170479047
 Pt         4.3333893003       10.3115854809        6.8622936961
 Pt         2.8215172241       11.1834489756        4.5326833952
 Pt         5.4721769182        9.6487201220        2.2210432397
 Pt         5.8526228460        9.4557021894        9.1994277826
 Pt         6.7325883664       10.5223368361       -0.1125381148
 Pt         7.1065829633       10.3112745267        6.8544373729
 Pt         5.5923355106       11.1815850899        4.5377252085
 Pt         8.2471925439        9.6480149170        2.2100554400
 Pt         8.6212140317        9.4394321079        9.1918753321
 Pt         9.5083660627       10.5240336980       -0.1245393988
 Pt         9.8794013570       10.3115399146        6.8560180856
 Pt         8.3681867418       11.1814951456        4.5321040287
 Pt        -7.0143060706       12.0513491037        2.2083309523
 Pt        -6.6411542695       11.8428561972        9.1847211079
 Pt        -5.7542538801       12.9274340547       -0.1193597958
 Pt        -5.3802409062       12.7151466409        6.8550444148
 Pt        -6.8898350235       13.5862007651        4.5303511399
 Pt        -4.2400895656       12.0549242959        2.2105519697
 Pt        -3.8672666455       11.8419403714        9.1860134542
 Pt        -2.9771704000       12.9270781360       -0.1185103056
 Pt        -2.6070267486       12.7161936460        6.8563621011
 Pt        -4.1157249595       13.5873141143        4.5333900355
 Pt        -1.4651718695       12.0539535505        2.2078252345
 Pt        -1.0937406031       11.8424534720        9.1860552843
 Pt        -0.2030965913       12.9264792410       -0.1203705421
 Pt         0.1671638753       12.7161979194        6.8552959536
 Pt        -1.3416262173       13.5866383255        4.5325619413
 Pt         1.3109251041       12.0540649780        2.2093542705
 Pt         1.6806606929       11.8446886184        9.1821120024
 Pt         2.5723168446       12.9265139306       -0.1203817337
 Pt         2.9439257824       12.7143536310        6.8559678823
 Pt         1.4329413086       13.5867899227        4.5319230310
 Pt         4.0863306259       12.0539274127        2.2107030122
 Pt         4.4581795812       11.8460678327        9.1921304218
 Pt         5.3472483091       12.9250890881       -0.1204118289
 Pt         5.7190094482       12.7150568595        6.8579896441
 Pt         4.2081835586       13.5859757652        4.5342797376
 Pt         6.8601649434       12.0527488996        2.2122793744
 Pt         7.2344817062       11.8427156314        9.1854211743
 Pt         8.1203226563       12.9255218868       -0.1202446482
 Pt         8.4933637230       12.7160446770        6.8546259992
 Pt         6.9835100163       13.5850444175        4.5333130805
  O         4.3595395989        7.1358532642       11.6238670520
  H         5.2358876151        7.5111368118       11.8353790331
  H         4.4194143234        6.1897969693       11.8599509431
     183
 i =       97, E =    -21650.0193878222
 Pt        -0.0759010695        0.0400855442        2.2104045928
 Pt         0.2965140160       -0.1734256464        9.1891269741
 Pt         1.1845107335        0.9136281307       -0.1196712624
 Pt         1.5559999337        0.7001338008        6.8558261673
 Pt         0.0478184538        1.5729934231        4.5338461047
 Pt         2.7002749545        0.0421051118        2.2090532432
 Pt         3.0696679346       -0.1740460930        9.1856895554
 Pt         3.9585820017        0.9124161798       -0.1236081053
 Pt         4.3313011511        0.7022502176        6.8575682635
 Pt         2.8215047063        1.5748793345        4.5333948126
 Pt         5.4733383643        0.0419226302        2.2098825504
 Pt         5.8456040252       -0.1740028183        9.1880992430
 Pt         6.7338973599        0.9109616855       -0.1193497676
 Pt         7.1050428306        0.7019027290        6.8553012078
 Pt         5.5928086279        1.5752699142        4.5329195134
 Pt         8.2487613401        0.0400645234        2.2088979919
 Pt         8.6206727360       -0.1720679332        9.1877949644
 Pt         9.5095107101        0.9130226424       -0.1206210251
 Pt         9.8786126830        0.7009470477        6.8533106593
 Pt         8.3690066422        1.5731542587        4.5308542384
 Pt        11.0230499215        0.0406888422        2.2100855720
 Pt        11.3958192853       -0.1708377154        9.1862011078
 Pt        12.2845845960        0.9124408684       -0.1198059842
 Pt        12.6536708189        0.7010690852        6.8563764572
 Pt        11.1462060399        1.5732193482        4.5333686702
 Pt        13.7977006736        0.0400948183        2.2118126684
 Pt        14.1707163300       -0.1708449564        9.1875990329
 Pt        15.0578207589        0.9131497441       -0.1171908808
 Pt        15.4290878568        0.7015223926        6.8550751739
 Pt        13.9208047791        1.5724440405        4.5347103906
 Pt        -1.4625939607        2.4434010200        2.2118220842
 Pt        -1.0928573581        2.2276850321        9.1879026616
 Pt        -0.2015703632        3.3160781758       -0.1211475229
 Pt         0.1695055661        3.1031496074        6.8588485390
 Pt        -1.3406567396        3.9762591217        4.5336995343
 Pt         1.3119799647        2.4435155785        2.2126316584
 Pt         1.6830270649        2.2266703343        9.1873233211
 Pt         2.5715066969        3.3170897075       -0.1123731994
 Pt         2.9444787199        3.1033911067        6.8568150862
 Pt         1.4329675536        3.9785731023        4.5379799728
 Pt         4.0880563723        2.4438699988        2.2106489800
 Pt         4.4576893777        2.2277747321        9.1946307294
 Pt         5.3486993237        3.3168901842       -0.1114346802
 Pt         5.7163899168        3.1042567019        6.8595739985
 Pt         4.2079949227        3.9845475927        4.5439759299
 Pt         6.8624011084        2.4436731910        2.2105342747
 Pt         7.2323307423        2.2275685604        9.1860720468
 Pt         8.1220055614        3.3165201832       -0.1233691339
 Pt         8.4909534457        3.1048955423        6.8539341123
 Pt         6.9822034778        3.9765435227        4.5378027881
 Pt         9.6358188486        2.4429442046        2.2086272872
 Pt        10.0079556201        2.2294715564        9.1832355969
 Pt        10.8968932804        3.3157109780       -0.1217703499
 Pt        11.2664931336        3.1047484876        6.8545763695
 Pt         9.7578283855        3.9753890576        4.5306537392
 Pt        12.4107146948        2.4433525711        2.2099725757
 Pt        12.7824729054        2.2294547854        9.1862239802
 Pt        13.6718649556        3.3160765430       -0.1200915934
 Pt        14.0419551033        3.1053368647        6.8565454568
 Pt        12.5327672589        3.9747284043        4.5331160018
 Pt        -2.8505719960        4.8463579807        2.2096403431
 Pt        -2.4803705895        4.6309105049        9.1862297717
 Pt        -1.5902372460        5.7193194134       -0.1211977519
 Pt        -1.2176354742        5.5069059386        6.8558758181
 Pt        -2.7292788618        6.3791810352        4.5313655397
 Pt        -0.0761036047        4.8460231822        2.2097429211
 Pt         0.2914614561        4.6292969897        9.1934750397
 Pt         1.1871813026        5.7198603892       -0.1183490487
 Pt         1.5571806163        5.5043779420        6.8630102314
 Pt         0.0460225603        6.3777947450        4.5321973314
 Pt         2.6991193353        4.8471804068        2.2199144645
 Pt         3.0588828918        4.6175765569        9.2036598891
 Pt         3.9616934756        5.7177566482       -0.1066373986
 Pt         4.3306597798        5.5123472239        6.9052438753
 Pt         2.8227121293        6.3797598289        4.5499467806
 Pt         5.4739503255        4.8475278789        2.2235214231
 Pt         5.8530664432        4.6186882610        9.2066065048
 Pt         6.7333347797        5.7188910361       -0.1147453850
 Pt         7.1019752937        5.5081695431        6.8696203146
 Pt         5.5911653352        6.3786753270        4.5648259683
 Pt         8.2482511822        4.8453573435        2.2111103411
 Pt         8.6218726130        4.6313579652        9.1856002222
 Pt         9.5080739400        5.7174648807       -0.1229060774
 Pt         9.8783862617        5.5077203762        6.8535480146
 Pt         8.3682606867        6.3776121605        4.5373829622
 Pt        11.0232433558        4.8462193478        2.2085815171
 Pt        11.3951220306        4.6323388796        9.1830232535
 Pt        12.2833844686        5.7190300003       -0.1209194880
 Pt        12.6544088494        5.5084940758        6.8530116162
 Pt        11.1436834699        6.3793938362        4.5304933042
 Pt        -4.2378177901        7.2491569507        2.2086841709
 Pt        -3.8667390827        7.0350152968        9.1868269141
 Pt        -2.9775440339        8.1231854008       -0.1203256800
 Pt        -2.6077581164        7.9108791647        6.8549390614
 Pt        -4.1167106537        8.7817528731        4.5325031367
 Pt        -1.4639612457        7.2500077712        2.2087461060
 Pt        -1.0956207748        7.0356101649        9.1820456644
 Pt        -0.2011926542        8.1219327590       -0.1207637025
 Pt         0.1665498104        7.9115679051        6.8491265266
 Pt        -1.3401716037        8.7815023557        4.5297936669
 Pt         1.3098989278        7.2494776670        2.2110229549
 Pt         1.6662610118        7.0327965773        9.1812596984
 Pt         2.5736220073        8.1208545920       -0.1166983974
 Pt         2.9411777732        7.9102656437        6.8777964759
 Pt         1.4379058534        8.7784131276        4.5294441113
 Pt         4.0833140788        7.2499575385        2.2247226684
 Pt         4.4598035925        7.0356088004        9.2666605157
 Pt         5.3490675058        8.1199033657       -0.1061066743
 Pt         5.7135521301        7.9060574363        6.9018396922
 Pt         4.2070454433        8.7768678494        4.5500329984
 Pt         6.8591610310        7.2460577539        2.2240161998
 Pt         7.2488965275        7.0348997491        9.2044090878
 Pt         8.1213797144        8.1191596684       -0.1113987610
 Pt         8.4917636222        7.9106624641        6.8577916730
 Pt         6.9742558422        8.7755000849        4.5428356609
 Pt         9.6352562491        7.2470251576        2.2104848757
 Pt        10.0091277256        7.0368046121        9.1851279232
 Pt        10.8972400480        8.1231265415       -0.1194453364
 Pt        11.2664494478        7.9099359274        6.8543394694
 Pt         9.7534547461        8.7823545307        4.5318860119
 Pt        -5.6275903429        9.6516015133        2.2094360571
 Pt        -5.2524616875        9.4391406704        9.1864824694
 Pt        -4.3649687171       10.5248467405       -0.1181377395
 Pt        -3.9947883795       10.3135624796        6.8559813268
 Pt        -5.5041704073       11.1840099632        4.5328381623
 Pt        -2.8519578697        9.6538645386        2.2081432355
 Pt        -2.4802491533        9.4396860615        9.1858404399
 Pt        -1.5896737551       10.5250354192       -0.1261551401
 Pt        -1.2211088128       10.3146147640        6.8532408928
 Pt        -2.7285558321       11.1845071221        4.5321703162
 Pt        -0.0785337891        9.6535641700        2.2058845912
 Pt         0.2923877295        9.4410399957        9.1797964559
 Pt         1.1861443240       10.5234960171       -0.1200848940
 Pt         1.5539444543       10.3139971933        6.8489976196
 Pt         0.0468895197       11.1834040578        4.5301167492
 Pt         2.6978985652        9.6526368338        2.2117136549
 Pt         3.0648854502        9.4553879899        9.1801488421
 Pt         3.9603549615       10.5215968083       -0.1176380131
 Pt         4.3336600552       10.3126411743        6.8616903585
 Pt         2.8215118297       11.1844946383        4.5324065553
 Pt         5.4725401418        9.6502841752        2.2201592378
 Pt         5.8532170867        9.4567042212        9.1994366095
 Pt         6.7329414433       10.5239128123       -0.1131235368
 Pt         7.1067171230       10.3120992880        6.8543324886
 Pt         5.5922743169       11.1826635944        4.5371171003
 Pt         8.2475940675        9.6494704192        2.2099179058
 Pt         8.6217877558        9.4394284601        9.1919898750
 Pt         9.5086931980       10.5255325070       -0.1246717498
 Pt         9.8793357338       10.3121473576        6.8558557963
 Pt         8.3681456305       11.1826317361        4.5319287599
 Pt        -7.0140546547       12.0526040632        2.2082154365
 Pt        -6.6402902334       11.8428308748        9.1844845576
 Pt        -5.7540081484       12.9288878729       -0.1196542688
 Pt        -5.3801322298       12.7159089054        6.8548488472
 Pt        -6.8899596933       13.5870639949        4.5305283141
 Pt        -4.2397675977       12.0561179798        2.2108705770
 Pt        -3.8663663958       11.8420557835        9.1860336613
 Pt        -2.9768791728       12.9280721807       -0.1181252956
 Pt        -2.6068070752       12.7170760078        6.8566754188
 Pt        -4.1155888752       13.5883568056        4.5335133491
 Pt        -1.4649164118       12.0551371961        2.2083300271
 Pt        -1.0926231921       11.8427338393        9.1866450690
 Pt        -0.2026543914       12.9273028661       -0.1200213525
 Pt         0.1674193882       12.7170681773        6.8554906826
 Pt        -1.3414414584       13.5877724087        4.5330250686
 Pt         1.3109627285       12.0551048400        2.2093934238
 Pt         1.6815839356       11.8455299140        9.1820250001
 Pt         2.5727433508       12.9276320902       -0.1205252669
 Pt         2.9442037327       12.7152813511        6.8555203459
 Pt         1.4328843846       13.5879494509        4.5317540579
 Pt         4.0862794762       12.0551893307        2.2100948579
 Pt         4.4591552151       11.8470209022        9.1918490480
 Pt         5.3474952195       12.9263602361       -0.1212246880
 Pt         5.7193168504       12.7158373865        6.8577161984
 Pt         4.2080599976       13.5871167394        4.5336550909
 Pt         6.8602298885       12.0541802632        2.2117977557
 Pt         7.2355483313       11.8431639717        9.1856868423
 Pt         8.1205623108       12.9269788664       -0.1205209419
 Pt         8.4935720050       12.7167258627        6.8548658351
 Pt         6.9833248615       13.5860006412        4.5332258071
  O         4.3596770411        7.1358495415       11.6236739740
  H         5.2363129403        7.5118347673       11.8340106530
  H         4.4204577204        6.1896589613       11.8591502418
     183
 i =       98, E =    -21650.0193919478
 Pt        -0.0753312082        0.0407874991        2.2109119385
 Pt         0.2969120039       -0.1727366766        9.1899731092
 Pt         1.1857362342        0.9143446844       -0.1192892694
 Pt         1.5557093205        0.7009308562        6.8564897134
 Pt         0.0475934827        1.5734585408        4.5345579793
 Pt         2.7008703868        0.0426536186        2.2092800747
 Pt         3.0699655377       -0.1733579288        9.1855735043
 Pt         3.9597591090        0.9130437343       -0.1236929610
 Pt         4.3311173060        0.7033071243        6.8575634769
 Pt         2.8212048496        1.5754380103        4.5338496950
 Pt         5.4737635047        0.0426651627        2.2100193119
 Pt         5.8457974883       -0.1733489168        9.1879328364
 Pt         6.7348186701        0.9114241188       -0.1193641715
 Pt         7.1049098276        0.7029678649        6.8551008101
 Pt         5.5926614523        1.5761066369        4.5330495149
 Pt         8.2490238183        0.0408114996        2.2088102569
 Pt         8.6207339913       -0.1712029992        9.1875159721
 Pt         9.5102668138        0.9136001216       -0.1207821722
 Pt         9.8785121317        0.7017669753        6.8529594395
 Pt         8.3689793419        1.5740900014        4.5306036061
 Pt        11.0232689619        0.0414241332        2.2097854386
 Pt        11.3959285031       -0.1698879069        9.1862309605
 Pt        12.2854801316        0.9131402091       -0.1199714039
 Pt        12.6535808707        0.7017465432        6.8563456438
 Pt        11.1462587134        1.5739978064        4.5330394120
 Pt        13.7980995412        0.0407765699        2.2116975224
 Pt        14.1710474117       -0.1700724413        9.1880594873
 Pt        15.0589410803        0.9138882710       -0.1171423290
 Pt        15.4288852105        0.7021072604        6.8557781398
 Pt        13.9207735200        1.5729531100        4.5347077523
 Pt        -1.4621540719        2.4439557780        2.2118741601
 Pt        -1.0924437374        2.2283932359        9.1885677261
 Pt        -0.2002426101        3.3168538438       -0.1208195844
 Pt         0.1691750263        3.1038846913        6.8592165848
 Pt        -1.3408713638        3.9766630549        4.5336501204
 Pt         1.3123244440        2.4439278161        2.2131701399
 Pt         1.6834356770        2.2277129739        9.1878130340
 Pt         2.5729141136        3.3176058323       -0.1119131480
 Pt         2.9441275376        3.1045100036        6.8569741136
 Pt         1.4327263724        3.9792322192        4.5381083017
 Pt         4.0884052947        2.4442738477        2.2111233456
 Pt         4.4580096685        2.2288949084        9.1942426077
 Pt         5.3501448736        3.3175410652       -0.1107583542
 Pt         5.7161456352        3.1056204175        6.8595014367
 Pt         4.2076831812        3.9853965428        4.5441405610
 Pt         6.8628793015        2.4444451642        2.2105805711
 Pt         7.2324285968        2.2285659601        9.1858062643
 Pt         8.1230959941        3.3172232507       -0.1234990611
 Pt         8.4908036456        3.1058941415        6.8537211831
 Pt         6.9820858976        3.9774526487        4.5378788283
 Pt         9.6362679599        2.4436517050        2.2083145198
 Pt        10.0081945566        2.2302655905        9.1829585118
 Pt        10.8977881504        3.3163755192       -0.1221391019
 Pt        11.2664230259        3.1054376377        6.8544805094
 Pt         9.7578740539        3.9761068005        4.5304320772
 Pt        12.4111962220        2.4440176591        2.2096230901
 Pt        12.7829075636        2.2300256161        9.1864089869
 Pt        13.6729383521        3.3167793330       -0.1202132194
 Pt        14.0417674460        3.1058639466        6.8565983502
 Pt        12.5327585733        3.9752454591        4.5330031697
 Pt        -2.8500656717        4.8470658650        2.2095178790
 Pt        -2.4801348471        4.6315347048        9.1861454506
 Pt        -1.5890227619        5.7200652907       -0.1208773589
 Pt        -1.2180272284        5.5075140892        6.8557023182
 Pt        -2.7295748564        6.3796907950        4.5313781112
 Pt        -0.0756694131        4.8466737916        2.2098785653
 Pt         0.2916329773        4.6303290843        9.1934621844
 Pt         1.1885572789        5.7205780423       -0.1181749415
 Pt         1.5567656230        5.5053768112        6.8627888262
 Pt         0.0457163494        6.3783014534        4.5320996484
 Pt         2.6995815223        4.8477666292        2.2200170614
 Pt         3.0588516748        4.6189110061        9.2037393248
 Pt         3.9629581217        5.7182203579       -0.1066274693
 Pt         4.3301018630        5.5137462074        6.9050126419
 Pt         2.8226742624        6.3808325855        4.5493701767
 Pt         5.4744290840        4.8483280272        2.2240324252
 Pt         5.8527464140        4.6200231424        9.2065821552
 Pt         6.7344665915        5.7196964115       -0.1141881873
 Pt         7.1014261424        5.5093811021        6.8696454085
 Pt         5.5911455500        6.3798081165        4.5647070351
 Pt         8.2488849483        4.8461021007        2.2110532043
 Pt         8.6218299324        4.6322534837        9.1854293532
 Pt         9.5091514015        5.7182087300       -0.1230580168
 Pt         9.8780968481        5.5084480880        6.8534240166
 Pt         8.3682358038        6.3783347656        4.5373959776
 Pt        11.0238717767        4.8468009434        2.2083432259
 Pt        11.3954378585        4.6329011298        9.1830089239
 Pt        12.2844617901        5.7197192039       -0.1210430789
 Pt        12.6541466701        5.5091173120        6.8529980483
 Pt        11.1435855999        6.3799671619        4.5303848627
 Pt        -4.2372375224        7.2498715998        2.2086912094
 Pt        -3.8667490530        7.0356561609        9.1868050398
 Pt        -2.9763109347        8.1239369944       -0.1201419755
 Pt        -2.6081178106        7.9115629339        6.8549167104
 Pt        -4.1168069255        8.7824525023        4.5326946039
 Pt        -1.4635146446        7.2508483128        2.2089976923
 Pt        -1.0957448567        7.0363912805        9.1818409510
 Pt        -0.1999087305        8.1226241027       -0.1203955078
 Pt         0.1661319209        7.9123017206        6.8489611199
 Pt        -1.3403271537        8.7821190464        4.5299455767
 Pt         1.3104742297        7.2501683046        2.2111034459
 Pt         1.6658925347        7.0338176458        9.1812429110
 Pt         2.5747938080        8.1215341647       -0.1169852226
 Pt         2.9405988586        7.9114636500        6.8775566510
 Pt         1.4378423242        8.7791496624        4.5293550347
 Pt         4.0839867678        7.2509086672        2.2240868376
 Pt         4.4590431601        7.0369798041        9.2665176257
 Pt         5.3501312004        8.1205918906       -0.1065375328
 Pt         5.7128007379        7.9073178743        6.9018191794
 Pt         4.2070983187        8.7778308262        4.5494581267
 Pt         6.8598311452        7.2471391181        2.2241317143
 Pt         7.2482008748        7.0358598789        9.2044506814
 Pt         8.1224812267        8.1198515672       -0.1110011312
 Pt         8.4911047441        7.9114065084        6.8577333111
 Pt         6.9742985556        8.7765457069        4.5426873994
 Pt         9.6360039470        7.2476671165        2.2104607699
 Pt        10.0088666368        7.0373275716        9.1849307587
 Pt        10.8984028531        8.1238747831       -0.1194508994
 Pt        11.2660422316        7.9105495539        6.8542829074
 Pt         9.7534664752        8.7830574691        4.5319267304
 Pt        -5.6268096118        9.6523554245        2.2095810645
 Pt        -5.2527073229        9.4395606594        9.1865939103
 Pt        -4.3638565546       10.5255040352       -0.1179349826
 Pt        -3.9951657100       10.3142523752        6.8562543085
 Pt        -5.5041081023       11.1847203479        4.5332238863
 Pt        -2.8513751274        9.6547380337        2.2084447822
 Pt        -2.4802975888        9.4403529806        9.1859765188
 Pt        -1.5885149807       10.5256727463       -0.1260356287
 Pt        -1.2213920231       10.3154138675        6.8533411437
 Pt        -2.7284666666       11.1852973282        4.5326507016
 Pt        -0.0780460911        9.6543859956        2.2060713839
 Pt         0.2923722269        9.4418412657        9.1798208363
 Pt         1.1872988810       10.5241524680       -0.1200659493
 Pt         1.5536285385       10.3148784525        6.8489887241
 Pt         0.0469511342       11.1841099268        4.5302448170
 Pt         2.6984847058        9.6533873604        2.2116210839
 Pt         3.0646500433        9.4567533360        9.1802681109
 Pt         3.9613991764       10.5223668681       -0.1179108688
 Pt         4.3330839385       10.3136034698        6.8615827201
 Pt         2.8215345267       11.1853475142        4.5322777518
 Pt         5.4732652027        9.6514087442        2.2196716536
 Pt         5.8527616137        9.4578942927        9.1998133995
 Pt         6.7341178332       10.5247734837       -0.1131263070
 Pt         7.1061457845       10.3129104610        6.8544594527
 Pt         5.5922299903       11.1835454812        4.5369492514
 Pt         8.2484926769        9.6504396622        2.2102079271
 Pt         8.6213661682        9.4399249576        9.1921157354
 Pt         9.5098368787       10.5262611733       -0.1243906976
 Pt         9.8788170374       10.3126882387        6.8560379914
 Pt         8.3681445551       11.1834502446        4.5322618660
 Pt        -7.0131855276       12.0534463554        2.2085508618
 Pt        -6.6403306309       11.8432426656        9.1847344425
 Pt        -5.7529249326       12.9295674186       -0.1197169655
 Pt        -5.3804749549       12.7165968216        6.8551800415
 Pt        -6.8900662332       13.5876440039        4.5311791154
 Pt        -4.2391131060       12.0568840433        2.2112101348
 Pt        -3.8663430355       11.8425360178        9.1862261312
 Pt        -2.9759713554       12.9285813542       -0.1178881659
 Pt        -2.6070288354       12.7179679185        6.8568859254
 Pt        -4.1155928586       13.5891030441        4.5338932481
 Pt        -1.4644691327       12.0559129575        2.2086316302
 Pt        -1.0924722698       11.8434119960        9.1867955532
 Pt        -0.2017869350       12.9277775933       -0.1200489098
 Pt         0.1672485195       12.7179097919        6.8553757035
 Pt        -1.3413880788       13.5886512435        4.5331909947
 Pt         1.3112798675       12.0558087831        2.2093686790
 Pt         1.6815811245       11.8465649078        9.1821421386
 Pt         2.5736352750       12.9283133335       -0.1206037449
 Pt         2.9439963577       12.7161547504        6.8554054464
 Pt         1.4328468848       13.5887944052        4.5315184440
 Pt         4.0866978770       12.0559995834        2.2098905361
 Pt         4.4591818291       11.8481698658        9.1919654500
 Pt         5.3484934615       12.9271185784       -0.1214322636
 Pt         5.7190063190       12.7165889742        6.8579407861
 Pt         4.2079766087       13.5879126399        4.5334222935
 Pt         6.8609155933       12.0551686632        2.2119559263
 Pt         7.2355928913       11.8439285661        9.1862340550
 Pt         8.1217399728       12.9278391904       -0.1202376750
 Pt         8.4932541129       12.7173660974        6.8555147155
 Pt         6.9831793335       13.5866549945        4.5337104192
  O         4.3597673481        7.1357752142       11.6233629672
  H         5.2370898422        7.5119236506       11.8315097172
  H         4.4220251364        6.1893844004       11.8577397738
     183
 i =       99, E =    -21650.0193953575
 Pt        -0.0751102785        0.0415383335        2.2108020562
 Pt         0.2975854659       -0.1723159391        9.1902936542
 Pt         1.1863228253        0.9151793555       -0.1195665267
 Pt         1.5557397526        0.7014786054        6.8566401443
 Pt         0.0474358091        1.5737877039        4.5345572846
 Pt         2.7009871189        0.0432595912        2.2091442350
 Pt         3.0704491465       -0.1728673649        9.1853599049
 Pt         3.9602705245        0.9137814895       -0.1240067445
 Pt         4.3311390277        0.7040728789        6.8572017993
 Pt         2.8209820528        1.5759224832        4.5338659377
 Pt         5.4736821373        0.0433100376        2.2099708474
 Pt         5.8460496148       -0.1728438987        9.1873064766
 Pt         6.7350481011        0.9122220752       -0.1195748887
 Pt         7.1051017532        0.7036832884        6.8545527863
 Pt         5.5925531613        1.5767337411        4.5328734698
 Pt         8.2489048777        0.0414667898        2.2083824733
 Pt         8.6209314657       -0.1706056687        9.1869295193
 Pt         9.5102381152        0.9143921589       -0.1212564594
 Pt         9.8788124276        0.7022411126        6.8526128157
 Pt         8.3690534896        1.5746499147        4.5301356284
 Pt        11.0232136373        0.0420493209        2.2093134259
 Pt        11.3962702661       -0.1691815738        9.1862457293
 Pt        12.2854921543        0.9139352562       -0.1204376952
 Pt        12.6537735783        0.7021173014        6.8563101825
 Pt        11.1463320577        1.5744473402        4.5326498780
 Pt        13.7981884549        0.0414921260        2.2112891644
 Pt        14.1716054032       -0.1694964402        9.1881768393
 Pt        15.0592615319        0.9147706129       -0.1174274432
 Pt        15.4290319454        0.7025099241        6.8559007243
 Pt        13.9207032602        1.5732536313        4.5344968646
 Pt        -1.4622580474        2.4445293571        2.2115713220
 Pt        -1.0917177636        2.2288460521        9.1886633156
 Pt        -0.1997302458        3.3176376813       -0.1208564124
 Pt         0.1691234725        3.1044159972        6.8590071162
 Pt        -1.3411076481        3.9768671866        4.5333610598
 Pt         1.3122720840        2.4444507074        2.2130333456
 Pt         1.6840323992        2.2284298757        9.1876498628
 Pt         2.5735660035        3.3183170848       -0.1119134955
 Pt         2.9439992817        3.1054870651        6.8566528427
 Pt         1.4325364268        3.9797360371        4.5378203963
 Pt         4.0883390276        2.4448481470        2.2112089335
 Pt         4.4583794812        2.2297713845        9.1932094088
 Pt         5.3506597864        3.3183552546       -0.1102821123
 Pt         5.7162816922        3.1066876337        6.8589524995
 Pt         4.2076279042        3.9861540037        4.5441685879
 Pt         6.8628873937        2.4451326564        2.2105729223
 Pt         7.2326222314        2.2293119309        9.1849762781
 Pt         8.1234070812        3.3182051020       -0.1235443778
 Pt         8.4911087410        3.1065086034        6.8531972637
 Pt         6.9822142089        3.9781284942        4.5376622633
 Pt         9.6362814810        2.4443009380        2.2079149884
 Pt        10.0084531495        2.2308638899        9.1826175577
 Pt        10.8978871976        3.3171477974       -0.1225894349
 Pt        11.2666917954        3.1058199312        6.8543386536
 Pt         9.7580577205        3.9765668719        4.5301040865
 Pt        12.4111354724        2.4445800276        2.2091960939
 Pt        12.7834491758        2.2305397280        9.1864863159
 Pt        13.6731113913        3.3174355275       -0.1205640321
 Pt        14.0418349425        3.1061867105        6.8565175272
 Pt        12.5327021980        3.9755674994        4.5327263611
 Pt        -2.8501108348        4.8476315750        2.2092238252
 Pt        -2.4796831162        4.6318800781        9.1861418826
 Pt        -1.5886466011        5.7206873734       -0.1209188757
 Pt        -1.2181157740        5.5078381352        6.8553548736
 Pt        -2.7297511298        6.3800332882        4.5310351515
 Pt        -0.0756727616        4.8471906059        2.2097088434
 Pt         0.2920548840        4.6309033485        9.1931597028
 Pt         1.1890063227        5.7213454077       -0.1182247277
 Pt         1.5566118824        5.5061318726        6.8623313759
 Pt         0.0455890741        6.3786771241        4.5317387743
 Pt         2.6996821145        4.8481997087        2.2199631634
 Pt         3.0589741971        4.6198565258        9.2035747036
 Pt         3.9632387675        5.7190918177       -0.1065561228
 Pt         4.3299780243        5.5149757635        6.9048609744
 Pt         2.8227787501        6.3815686145        4.5489122339
 Pt         5.4745651782        4.8490536421        2.2243150774
 Pt         5.8528225625        4.6209361498        9.2062479368
 Pt         6.7347328312        5.7207067363       -0.1139036782
 Pt         7.1013795091        5.5102803471        6.8694655752
 Pt         5.5914087079        6.3806742030        4.5647009954
 Pt         8.2490135069        4.8469446056        2.2110004243
 Pt         8.6218553027        4.6330058571        9.1847187602
 Pt         9.5094164103        5.7191220479       -0.1233367664
 Pt         9.8782556861        5.5089580892        6.8530285216
 Pt         8.3684402009        6.3789563935        4.5372299722
 Pt        11.0239234690        4.8474529969        2.2079956034
 Pt        11.3957445282        4.6334219287        9.1827951365
 Pt        12.2846936596        5.7202561071       -0.1214072527
 Pt        12.6542543152        5.5095159637        6.8528222502
 Pt        11.1436695282        6.3805167274        4.5300616753
 Pt        -4.2370782648        7.2505531031        2.2083111892
 Pt        -3.8665163443        7.0359993092        9.1866354647
 Pt        -2.9759423992        8.1244415283       -0.1203981195
 Pt        -2.6080153448        7.9119032213        6.8546344643
 Pt        -4.1166848387        8.7830171562        4.5326005566
 Pt        -1.4633555806        7.2514260363        2.2089378483
 Pt        -1.0955605657        7.0367983325        9.1816122126
 Pt        -0.1995985685        8.1233611094       -0.1202554383
 Pt         0.1660801453        7.9126702482        6.8485298445
 Pt        -1.3402860036        8.7825418787        4.5296799578
 Pt         1.3107856305        7.2507577535        2.2109007788
 Pt         1.6658000958        7.0345164949        9.1812705057
 Pt         2.5749371743        8.1224707485       -0.1174618890
 Pt         2.9403538989        7.9123080709        6.8772934592
 Pt         1.4379640413        8.7797185222        4.5289539629
 Pt         4.0842992401        7.2516204922        2.2236999135
 Pt         4.4586324993        7.0377022565        9.2666685888
 Pt         5.3501616125        8.1217400142       -0.1069346488
 Pt         5.7124037804        7.9083051585        6.9018431720
 Pt         4.2072725113        8.7785916801        4.5488811844
 Pt         6.8600256413        7.2481975384        2.2240221853
 Pt         7.2478622735        7.0368865592        9.2045258739
 Pt         8.1227442113        8.1207849501       -0.1107179104
 Pt         8.4908046221        7.9119409411        6.8575307329
 Pt         6.9744971909        8.7773829856        4.5424536023
 Pt         9.6362339278        7.2484669262        2.2103301107
 Pt        10.0087462164        7.0378303949        9.1844068213
 Pt        10.8988110809        8.1245706329       -0.1196972329
 Pt        11.2660662101        7.9109550866        6.8540802884
 Pt         9.7536218023        8.7836650613        4.5319092784
 Pt        -5.6264003634        9.6530653165        2.2096104959
 Pt        -5.2525988529        9.4397300916        9.1866668789
 Pt        -4.3634847066       10.5260764435       -0.1180962126
 Pt        -3.9950772519       10.3145453761        6.8564130494
 Pt        -5.5039303035       11.1852500689        4.5335565318
 Pt        -2.8511230348        9.6553839892        2.2083320661
 Pt        -2.4800158361        9.4406242262        9.1858551479
 Pt        -1.5883777852       10.5263751835       -0.1262354757
 Pt        -1.2212518731       10.3157731540        6.8530008751
 Pt        -2.7282783465       11.1858448400        4.5327757101
 Pt        -0.0778130093        9.6550355533        2.2060071286
 Pt         0.2925420417        9.4423554981        9.1794858612
 Pt         1.1873343871       10.5250635419       -0.1203024046
 Pt         1.5535461724       10.3154166014        6.8485880940
 Pt         0.0471095064       11.1846955419        4.5298921588
 Pt         2.6987820500        9.6541597731        2.2110950769
 Pt         3.0645770254        9.4576670186        9.1803476060
 Pt         3.9615182621       10.5234469500       -0.1184668382
 Pt         4.3327715221       10.3143105995        6.8612989300
 Pt         2.8216825877       11.1860121010        4.5318642337
 Pt         5.4736615400        9.6523767497        2.2192482659
 Pt         5.8525293532        9.4587100164        9.1999866109
 Pt         6.7344891631       10.5258785404       -0.1131423654
 Pt         7.1057759807       10.3134510724        6.8544219787
 Pt         5.5923516197       11.1842424552        4.5366740474
 Pt         8.2489796994        9.6514836708        2.2102698081
 Pt         8.6211919073        9.4403831435        9.1919657426
 Pt         9.5102657165       10.5270236412       -0.1241690270
 Pt         9.8786908892       10.3129761702        6.8562158581
 Pt         8.3683457988       11.1841280890        4.5324441060
 Pt        -7.0126715411       12.0543139062        2.2086720502
 Pt        -6.6400224195       11.8434736750        9.1850382648
 Pt        -5.7524758628       12.9302217599       -0.1199701113
 Pt        -5.3804366595       12.7169327884        6.8554834652
 Pt        -6.8900270869       13.5881186775        4.5314583165
 Pt        -4.2388793693       12.0575226392        2.2113001152
 Pt        -3.8660374089       11.8427126369        9.1863218497
 Pt        -2.9757942061       12.9292624417       -0.1180181896
 Pt        -2.6069467058       12.7184560786        6.8567670663
 Pt        -4.1156033930       13.5896011203        4.5340901507
 Pt        -1.4644430514       12.0565917497        2.2084665522
 Pt        -1.0921946320       11.8438596336        9.1862897573
 Pt        -0.2018637622       12.9285418442       -0.1204627892
 Pt         0.1674034622       12.7184284844        6.8549006208
 Pt        -1.3413139454       13.5892662009        4.5329612613
 Pt         1.3113075620       12.0565345783        2.2090443685
 Pt         1.6818042172       11.8472827179        9.1819388088
 Pt         2.5735532740       12.9292173933       -0.1210536771
 Pt         2.9440673095       12.7167116849        6.8552283505
 Pt         1.4329520121       13.5894193943        4.5311023682
 Pt         4.0869192577       12.0568122222        2.2094287571
 Pt         4.4594447726       11.8489898284        9.1919223551
 Pt         5.3487444699       12.9281127435       -0.1217776260
 Pt         5.7189957850       12.7170816691        6.8578573386
 Pt         4.2080241405       13.5884602178        4.5330802938
 Pt         6.8613977411       12.0561633126        2.2118486388
 Pt         7.2358491170       11.8444530821        9.1863739072
 Pt         8.1222665358       12.9288132287       -0.1202828612
 Pt         8.4932685361       12.7177049305        6.8558385706
 Pt         6.9832206393       13.5871475221        4.5337479402
  O         4.3599733831        7.1353967707       11.6231717789
  H         5.2377715903        7.5117008406       11.8296565695
  H         4.4235825745        6.1890648920       11.8570926675
     183
 i =      100, E =    -21650.0193982070
 Pt        -0.0745041234        0.0421260350        2.2108040646
 Pt         0.2970626520       -0.1714817954        9.1904450950
 Pt         1.1876613646        0.9157061181       -0.1197114473
 Pt         1.5553364787        0.7022384051        6.8566642258
 Pt         0.0473363881        1.5742463315        4.5345429816
 Pt         2.7014506946        0.0438133732        2.2091853061
 Pt         3.0698085676       -0.1718759896        9.1854038967
 Pt         3.9614760803        0.9142536968       -0.1240356330
 Pt         4.3306266891        0.7049727688        6.8568902597
 Pt         2.8208823924        1.5766125902        4.5338743191
 Pt         5.4739695448        0.0437615967        2.2098672322
 Pt         5.8451612377       -0.1717826714        9.1866209223
 Pt         6.7360576703        0.9129455492       -0.1196824342
 Pt         7.1047477495        0.7044534162        6.8539125055
 Pt         5.5924800616        1.5773641399        4.5326567003
 Pt         8.2492723126        0.0419250077        2.2079514586
 Pt         8.6200513760       -0.1696053562        9.1863318459
 Pt         9.5110943796        0.9150369197       -0.1217084199
 Pt         9.8786007331        0.7028965057        6.8523943395
 Pt         8.3690997605        1.5751020560        4.5296232494
 Pt        11.0237243856        0.0424640346        2.2090193664
 Pt        11.3955618620       -0.1681321209        9.1864380948
 Pt        12.2863234813        0.9144633198       -0.1206897718
 Pt        12.6534815179        0.7027716416        6.8565715341
 Pt        11.1463538228        1.5748163047        4.5324984508
 Pt        13.7987390936        0.0419866410        2.2113624302
 Pt        14.1710102157       -0.1685021388        9.1883425870
 Pt        15.0603494390        0.9153670266       -0.1173650967
 Pt        15.4286733852        0.7032090189        6.8560203494
 Pt        13.9205548606        1.5736091246        4.5346534202
 Pt        -1.4619824138        2.4449311039        2.2116830405
 Pt        -1.0922448479        2.2296893045        9.1886763785
 Pt        -0.1985652862        3.3180602634       -0.1207177325
 Pt         0.1685964456        3.1052720913        6.8588427690
 Pt        -1.3413671988        3.9772424462        4.5333924543
 Pt         1.3126644232        2.4448912723        2.2129544660
 Pt         1.6833880481        2.2293923557        9.1874316646
 Pt         2.5748634813        3.3188214616       -0.1119453285
 Pt         2.9434829392        3.1066816842        6.8563814220
 Pt         1.4324524018        3.9803386527        4.5377594703
 Pt         4.0887237470        2.4453421549        2.2113197386
 Pt         4.4575510189        2.2309188841        9.1924180449
 Pt         5.3517213095        3.3188930581       -0.1100949071
 Pt         5.7159718703        3.1078004494        6.8583745492
 Pt         4.2077717098        3.9870429876        4.5442929937
 Pt         6.8633095479        2.4456389374        2.2104850368
 Pt         7.2317352195        2.2304128939        9.1840619619
 Pt         8.1244025574        3.3189862902       -0.1233876970
 Pt         8.4909908370        3.1072247831        6.8525850205
 Pt         6.9824809379        3.9787743743        4.5374141960
 Pt         9.6366993789        2.4447405627        2.2076334324
 Pt        10.0075399162        2.2319039969        9.1822913864
 Pt        10.8987748589        3.3176995864       -0.1228647108
 Pt        11.2664762487        3.1064275141        6.8542040581
 Pt         9.7582334944        3.9770341198        4.5296763891
 Pt        12.4114206032        2.4449422572        2.2090439330
 Pt        12.7827442111        2.2316196934        9.1866470986
 Pt        13.6740348890        3.3177816092       -0.1206125014
 Pt        14.0414202359        3.1068908108        6.8566906298
 Pt        12.5326129839        3.9759392671        4.5325827267
 Pt        -2.8498269083        4.8479731229        2.2091120240
 Pt        -2.4803677532        4.6327007171        9.1863704428
 Pt        -1.5875532748        5.7209429795       -0.1209030897
 Pt        -1.2186143399        5.5085469898        6.8552978747
 Pt        -2.7297953289        6.3804438523        4.5307371302
 Pt        -0.0752389249        4.8474918537        2.2098721099
 Pt         0.2914679927        4.6318100265        9.1929830172
 Pt         1.1900782502        5.7218378221       -0.1180495946
 Pt         1.5561148515        5.5072334910        6.8622684324
 Pt         0.0455757418        6.3791716837        4.5316793427
 Pt         2.7002298049        4.8485949972        2.2201459208
 Pt         3.0581755518        4.6209529255        9.2034536082
 Pt         3.9642585017        5.7197514584       -0.1062402662
 Pt         4.3296925338        5.5163647272        6.9049242239
 Pt         2.8229756766        6.3823012602        4.5490796873
 Pt         5.4751262664        4.8496275860        2.2244947625
 Pt         5.8520575820        4.6221112817        9.2058059408
 Pt         6.7357288318        5.7214223529       -0.1139200775
 Pt         7.1011230012        5.5113312201        6.8692294322
 Pt         5.5917837881        6.3816034632        4.5647939637
 Pt         8.2494703153        4.8476902297        2.2108348322
 Pt         8.6208712242        4.6342321314        9.1839255686
 Pt         9.5103860596        5.7197931546       -0.1235213761
 Pt         9.8780682217        5.5097041707        6.8525255821
 Pt         8.3686906825        6.3796267538        4.5370432374
 Pt        11.0242595036        4.8479843017        2.2077260880
 Pt        11.3948146925        4.6345071921        9.1824661355
 Pt        12.2856724516        5.7204897440       -0.1216973326
 Pt        12.6539262440        5.5101664237        6.8525873828
 Pt        11.1438040776        6.3811073684        4.5296090863
 Pt        -4.2365288093        7.2509922666        2.2079205357
 Pt        -3.8672931385        7.0367933754        9.1864657759
 Pt        -2.9749079039        8.1245957551       -0.1207170501
 Pt        -2.6083277714        7.9124538317        6.8543597196
 Pt        -4.1165348217        8.7835431396        4.5323762548
 Pt        -1.4627498995        7.2516675408        2.2088733436
 Pt        -1.0963188539        7.0376024210        9.1816858845
 Pt        -0.1986951223        8.1238218516       -0.1201013878
 Pt         0.1656765808        7.9133748537        6.8483869263
 Pt        -1.3401824124        8.7830103555        4.5293765568
 Pt         1.3115349776        7.2510843110        2.2109924187
 Pt         1.6648986881        7.0355712539        9.1815285012
 Pt         2.5757770355        8.1232108144       -0.1175650019
 Pt         2.9398195166        7.9134488195        6.8773416705
 Pt         1.4381039352        8.7803606013        4.5287004034
 Pt         4.0849214425        7.2521729091        2.2237900631
 Pt         4.4575385653        7.0385181293        9.2668112364
 Pt         5.3510044789        8.1225298440       -0.1069969480
 Pt         5.7118970429        7.9094484352        6.9018670454
 Pt         4.2074280394        8.7794234035        4.5487357753
 Pt         6.8605144212        7.2490401408        2.2238515657
 Pt         7.2469048522        7.0384255183        9.2045738840
 Pt         8.1238503518        8.1214283536       -0.1106813530
 Pt         8.4902967003        7.9128011028        6.8573885092
 Pt         6.9746445127        8.7782288176        4.5422738104
 Pt         9.6367476832        7.2491997893        2.2101229493
 Pt        10.0077575814        7.0389947328        9.1839758258
 Pt        10.8999541070        8.1249592422       -0.1199000909
 Pt        11.2657725152        7.9116273320        6.8538622042
 Pt         9.7537949118        8.7843273488        4.5319943515
 Pt        -5.6256539849        9.6535654295        2.2096195204
 Pt        -5.2533010005        9.4405559325        9.1868154027
 Pt        -4.3623807630       10.5263917406       -0.1182529305
 Pt        -3.9953246649       10.3150642667        6.8565318667
 Pt        -5.5037825923       11.1857688738        4.5339679737
 Pt        -2.8504543917        9.6556879978        2.2081235221
 Pt        -2.4807448328        9.4413416052        9.1857260644
 Pt        -1.5875698626       10.5268067456       -0.1263818967
 Pt        -1.2216008560       10.3163300236        6.8525759956
 Pt        -2.7282388824       11.1863482299        4.5326447176
 Pt        -0.0771698515        9.6554419421        2.2059398802
 Pt         0.2916403692        9.4433097307        9.1793229149
 Pt         1.1879992486       10.5257854766       -0.1204157479
 Pt         1.5529964478       10.3162437693        6.8483354241
 Pt         0.0471580593       11.1853421572        4.5294537071
 Pt         2.6994595988        9.6547170175        2.2108236345
 Pt         3.0635361858        9.4586824802        9.1805215819
 Pt         3.9623907307       10.5242993752       -0.1187132371
 Pt         4.3319976881       10.3152276103        6.8613423087
 Pt         2.8217498958       11.1866881247        4.5315954583
 Pt         5.4742834750        9.6530610657        2.2191632604
 Pt         5.8514867043        9.4597405074        9.2000666237
 Pt         6.7356467661       10.5265918741       -0.1129506658
 Pt         7.1051276421       10.3142881297        6.8544755616
 Pt         5.5924806234       11.1849491564        4.5367157904
 Pt         8.2497151486        9.6522266795        2.2104396128
 Pt         8.6202913451        9.4415430776        9.1919274433
 Pt         9.5115037384       10.5275157456       -0.1239144381
 Pt         9.8783142946       10.3136497577        6.8565469114
 Pt         8.3685509647       11.1847701134        4.5327729046
 Pt        -7.0118671769       12.0549166713        2.2089877461
 Pt        -6.6406118204       11.8443949268        9.1855480367
 Pt        -5.7512218597       12.9305989901       -0.1198686846
 Pt        -5.3807705270       12.7175252697        6.8559163620
 Pt        -6.8899345110       13.5886925331        4.5317786102
 Pt        -4.2383165350       12.0579114014        2.2113444342
 Pt        -3.8667053182       11.8435154213        9.1864157666
 Pt        -2.9748262883       12.9298114577       -0.1182075484
 Pt        -2.6073544029       12.7191090328        6.8565151571
 Pt        -4.1156925707       13.5901206879        4.5342485556
 Pt        -1.4640367335       12.0570228845        2.2081819365
 Pt        -1.0930667342       11.8448409803        9.1856245983
 Pt        -0.2011726400       12.9292181020       -0.1209126354
 Pt         0.1669866115       12.7191648814        6.8543648285
 Pt        -1.3414093025       13.5898432121        4.5325033816
 Pt         1.3118257065       12.0571137360        2.2087318205
 Pt         1.6809764273       11.8482803158        9.1818052615
 Pt         2.5742955010       12.9298994109       -0.1213784159
 Pt         2.9435916657       12.7174655715        6.8552587125
 Pt         1.4330089196       13.5899951306        4.5307746002
 Pt         4.0876112588       12.0573551091        2.2093095639
 Pt         4.4586542423       11.8500059232        9.1921315812
 Pt         5.3498256844       12.9288566537       -0.1216535156
 Pt         5.7184930329       12.7178299742        6.8580739326
 Pt         4.2080780472       13.5889574915        4.5331124989
 Pt         6.8622213921       12.0568113812        2.2120418184
 Pt         7.2350900881       11.8454327245        9.1865678730
 Pt         8.1235965047       12.9294564749       -0.1200958248
 Pt         8.4929097350       12.7183639029        6.8561498081
 Pt         6.9833567196       13.5876898920        4.5339501323
  O         4.3600735144        7.1354086199       11.6230166601
  H         5.2384481193        7.5114065275       11.8277232210
  H         4.4246853926        6.1891550081       11.8566858605
     183
 i =      101, E =    -21650.0194006357
 Pt        -0.0743959656        0.0426593393        2.2106362106
 Pt         0.2969275818       -0.1710239376        9.1902679887
 Pt         1.1879814858        0.9163635796       -0.1199929827
 Pt         1.5553981259        0.7026935062        6.8564174337
 Pt         0.0473563415        1.5746834782        4.5342700893
 Pt         2.7014269920        0.0443846871        2.2091629965
 Pt         3.0696176177       -0.1713042217        9.1854951640
 Pt         3.9616794032        0.9149393822       -0.1239842068
 Pt         4.3305316306        0.7054374367        6.8565433350
 Pt         2.8209868321        1.5772228788        4.5336998529
 Pt         5.4738940588        0.0441579611        2.2096094556
 Pt         5.8447769928       -0.1710961061        9.1858866699
 Pt         6.7362157090        0.9138794335       -0.1199064802
 Pt         7.1047115290        0.7047608013        6.8531210627
 Pt         5.5925466811        1.5778029779        4.5322434315
 Pt         8.2493660301        0.0423312023        2.2073343222
 Pt         8.6196838936       -0.1690489904        9.1856106532
 Pt         9.5112314920        0.9158641908       -0.1222758028
 Pt         9.8786845594        0.7031595126        6.8520419072
 Pt         8.3692026635        1.5752648801        4.5290047169
 Pt        11.0239485422        0.0428457623        2.2086302840
 Pt        11.3953196393       -0.1676290672        9.1864232485
 Pt        12.2864195780        0.9151421175       -0.1210407557
 Pt        12.6535584868        0.7030629696        6.8567298733
 Pt        11.1463896339        1.5749643525        4.5322639615
 Pt        13.7989151112        0.0424576222        2.2114044101
 Pt        14.1708214521       -0.1679961028        9.1883913076
 Pt        15.0605444546        0.9160646957       -0.1173983743
 Pt        15.4287707687        0.7036022986        6.8558877721
 Pt        13.9205112353        1.5738601707        4.5347755918
 Pt        -1.4620581938        2.4453605507        2.2117102573
 Pt        -1.0923896851        2.2301106059        9.1884647829
 Pt        -0.1983971373        3.3185903279       -0.1208350556
 Pt         0.1685875995        3.1057617995        6.8586142707
 Pt        -1.3414306362        3.9775786479        4.5333977854
 Pt         1.3127017852        2.4454473960        2.2127064380
 Pt         1.6831484357        2.2298187812        9.1870077947
 Pt         2.5750313561        3.3196169737       -0.1121135203
 Pt         2.9434604551        3.1073866010        6.8560740013
 Pt         1.4325210925        3.9808164604        4.5377443918
 Pt         4.0887736047        2.4459814738        2.2111965337
 Pt         4.4571889909        2.2315209113        9.1917873207
 Pt         5.3516731038        3.3197006368       -0.1102466247
 Pt         5.7160549874        3.1083171864        6.8577894270
 Pt         4.2081651380        3.9877082145        4.5443492208
 Pt         6.8633222593        2.4461214853        2.2102553315
 Pt         7.2313505503        2.2310241249        9.1830713421
 Pt         8.1244693821        3.3199074434       -0.1233994656
 Pt         8.4911741681        3.1075142079        6.8518071109
 Pt         6.9828308883        3.9792126858        4.5369675970
 Pt         9.6367237848        2.4451767572        2.2072354302
 Pt        10.0070885670        2.2324892570        9.1817960245
 Pt        10.8988959922        3.3183895205       -0.1231734858
 Pt        11.2666125271        3.1066756432        6.8538749959
 Pt         9.7584233415        3.9773118977        4.5291315975
 Pt        12.4113386230        2.4452928566        2.2088978093
 Pt        12.7824100963        2.2322434871        9.1866384867
 Pt        13.6741502985        3.3182616063       -0.1207525663
 Pt        14.0414685431        3.1072831818        6.8567469731
 Pt        12.5325761796        3.9762022594        4.5322928098
 Pt        -2.8499055445        4.8482496247        2.2088642062
 Pt        -2.4805893057        4.6331110814        9.1864769938
 Pt        -1.5873710029        5.7213027770       -0.1212266452
 Pt        -1.2185713037        5.5089617059        6.8552152736
 Pt        -2.7296268483        6.3807397396        4.5302568754
 Pt        -0.0751787658        4.8477736627        2.2098621606
 Pt         0.2913707602        4.6322083148        9.1928370754
 Pt         1.1901718572        5.7224683907       -0.1180592332
 Pt         1.5561557734        5.5078631610        6.8623474564
 Pt         0.0458121959        6.3795550972        4.5315953620
 Pt         2.7003989505        4.8490465758        2.2203288446
 Pt         3.0579895042        4.6213753753        9.2032127285
 Pt         3.9642965044        5.7207238710       -0.1059517836
 Pt         4.3299683981        5.5171878045        6.9049501448
 Pt         2.8233207422        6.3828644148        4.5494674736
 Pt         5.4752938916        4.8502407584        2.2243732452
 Pt         5.8520524971        4.6226689505        9.2052103505
 Pt         6.7358115420        5.7223169314       -0.1142184167
 Pt         7.1014530606        5.5119070432        6.8688415317
 Pt         5.5923140561        6.3822947106        4.5648497577
 Pt         8.2494669090        4.8484231048        2.2105737785
 Pt         8.6204963113        4.6349772675        9.1830413158
 Pt         9.5104871778        5.7205961790       -0.1237605685
 Pt         9.8783172551        5.5101181352        6.8518725551
 Pt         8.3690172862        6.3801796051        4.5367253917
 Pt        11.0241548746        4.8485515450        2.2073103400
 Pt        11.3943301862        4.6351473853        9.1819189892
 Pt        12.2858132541        5.7208878420       -0.1221263680
 Pt        12.6540520865        5.5104761996        6.8521555781
 Pt        11.1440222972        6.3815414818        4.5290677342
 Pt        -4.2363999081        7.2513712845        2.2073848786
 Pt        -3.8675252882        7.0371260490        9.1860554148
 Pt        -2.9747937562        8.1248883758       -0.1212836919
 Pt        -2.6081633667        7.9126796023        6.8539141915
 Pt        -4.1162772637        8.7838462465        4.5319609106
 Pt        -1.4624949493        7.2517888800        2.2084690725
 Pt        -1.0964773368        7.0379476103        9.1816501188
 Pt        -0.1986971408        8.1243810078       -0.1203982291
 Pt         0.1657465089        7.9137825260        6.8481572905
 Pt        -1.3399379743        8.7832935400        4.5287966544
 Pt         1.3117871845        7.2513919810        2.2109162188
 Pt         1.6647190633        7.0361141992        9.1816351387
 Pt         2.5757700331        8.1240733931       -0.1176558795
 Pt         2.9399381810        7.9142304266        6.8773520933
 Pt         1.4382961415        8.7808065871        4.5283541881
 Pt         4.0850339555        7.2526801550        2.2240554100
 Pt         4.4573420408        7.0388074209        9.2667624649
 Pt         5.3510307220        8.1235332099       -0.1068808052
 Pt         5.7121733928        7.9101935947        6.9018394744
 Pt         4.2076011238        8.7800554489        4.5487290330
 Pt         6.8605217346        7.2497385492        2.2235782675
 Pt         7.2468879797        7.0394115239        9.2045279837
 Pt         8.1240543348        8.1223191454       -0.1108462590
 Pt         8.4905404420        7.9133826699        6.8572704812
 Pt         6.9749061905        8.7788146783        4.5421894375
 Pt         9.6367566855        7.2499527094        2.2098914937
 Pt        10.0074922576        7.0397723301        9.1835333543
 Pt        10.9001666667        8.1255089936       -0.1201450752
 Pt        11.2659915493        7.9119878710        6.8535276382
 Pt         9.7540474005        8.7848206796        4.5320002350
 Pt        -5.6254667656        9.6540330105        2.2095634193
 Pt        -5.2533362169        9.4410666787        9.1867797631
 Pt        -4.3621764061       10.5268907768       -0.1185138131
 Pt        -3.9950885162       10.3152836398        6.8563459884
 Pt        -5.5035987715       11.1861239672        4.5341235793
 Pt        -2.8502044701        9.6558690922        2.2076217631
 Pt        -2.4809345615        9.4416319528        9.1852936014
 Pt        -1.5876215401       10.5273822287       -0.1268100522
 Pt        -1.2215542897       10.3165587470        6.8518999196
 Pt        -2.7281710567       11.1866142564        4.5321107563
 Pt        -0.0768923468        9.6557431582        2.2055016785
 Pt         0.2912477103        9.4438352323        9.1789767904
 Pt         1.1878298916       10.5265938361       -0.1208117578
 Pt         1.5528464469       10.3167277410        6.8478687157
 Pt         0.0472126949       11.1857728927        4.5286954646
 Pt         2.6996310071        9.6552723620        2.2104391961
 Pt         3.0631236983        9.4590932580        9.1805363772
 Pt         3.9624222432       10.5252611592       -0.1190066211
 Pt         4.3319124526       10.3158405041        6.8613743456
 Pt         2.8218454662       11.1871465817        4.5312307155
 Pt         5.4743667908        9.6536571106        2.2191765964
 Pt         5.8512292798        9.4602755089        9.1999829261
 Pt         6.7358583513       10.5274654093       -0.1128113051
 Pt         7.1051938029       10.3148542217        6.8545284053
 Pt         5.5926774486       11.1854332221        4.5368501538
 Pt         8.2498264345        9.6528448509        2.2104531793
 Pt         8.6201702921        9.4423876920        9.1919113646
 Pt         9.5118147403       10.5282201931       -0.1237687124
 Pt         9.8785762389       10.3141037350        6.8567884442
 Pt         8.3688398497       11.1852031835        4.5329984831
 Pt        -7.0117172469       12.0554214611        2.2091669538
 Pt        -6.6406130673       11.8450296121        9.1859236613
 Pt        -5.7508805433       12.9311847531       -0.1196910679
 Pt        -5.3805930651       12.7178706700        6.8561110296
 Pt        -6.8897409921       13.5891610880        4.5318158975
 Pt        -4.2382553572       12.0582368190        2.2111855183
 Pt        -3.8668090126       11.8440078528        9.1862750953
 Pt        -2.9746606653       12.9305502576       -0.1185512170
 Pt        -2.6073522982       12.7193911013        6.8559583398
 Pt        -4.1157164411       13.5904859440        4.5341004410
 Pt        -1.4639615663       12.0573593150        2.2075597545
 Pt        -1.0934638465       11.8454092659        9.1847376697
 Pt        -0.2011860018       12.9300783228       -0.1215131709
 Pt         0.1669078488       12.7195274928        6.8536557910
 Pt        -1.3414757706       13.5901434726        4.5317654459
 Pt         1.3120383355       12.0576471162        2.2081753410
 Pt         1.6806315460       11.8487739181        9.1814275877
 Pt         2.5743002187       12.9307199062       -0.1219244128
 Pt         2.9435147519       12.7178672208        6.8551536647
 Pt         1.4330952248       13.5903061515        4.5302754928
 Pt         4.0878775450       12.0578849426        2.2091393979
 Pt         4.4583582585       11.8504801902        9.1923157482
 Pt         5.3500423879       12.9297260697       -0.1216394321
 Pt         5.7185179970       12.7182519208        6.8582161182
 Pt         4.2082320587       13.5892144979        4.5331562489
 Pt         6.8624713401       12.0573072165        2.2121689863
 Pt         7.2348807516       11.8460058935        9.1865883076
 Pt         8.1239532008       12.9301789047       -0.1200592459
 Pt         8.4930589014       12.7187524515        6.8562359695
 Pt         6.9835737991       13.5880540723        4.5339972651
  O         4.3602340155        7.1355600811       11.6228572671
  H         5.2389341506        7.5114169449       11.8262707095
  H         4.4256360404        6.1894442105       11.8566692549
     183
 i =      102, E =    -21650.0194063903
 Pt        -0.0743959656        0.0426593393        2.2106362106
 Pt         0.2969275818       -0.1710239376        9.1902679887
 Pt         1.1879814858        0.9163635796       -0.1199929827
 Pt         1.5553981259        0.7026935062        6.8564174337
 Pt         0.0473563415        1.5746834782        4.5342700893
 Pt         2.7014269920        0.0443846871        2.2091629965
 Pt         3.0696176177       -0.1713042217        9.1854951640
 Pt         3.9616794032        0.9149393822       -0.1239842068
 Pt         4.3305316306        0.7054374367        6.8565433350
 Pt         2.8209868321        1.5772228788        4.5336998529
 Pt         5.4738940588        0.0441579611        2.2096094556
 Pt         5.8447769928       -0.1710961061        9.1858866699
 Pt         6.7362157090        0.9138794335       -0.1199064802
 Pt         7.1047115290        0.7047608013        6.8531210627
 Pt         5.5925466811        1.5778029779        4.5322434315
 Pt         8.2493660301        0.0423312023        2.2073343222
 Pt         8.6196838936       -0.1690489904        9.1856106532
 Pt         9.5112314920        0.9158641908       -0.1222758028
 Pt         9.8786845594        0.7031595126        6.8520419072
 Pt         8.3692026635        1.5752648801        4.5290047169
 Pt        11.0239485422        0.0428457623        2.2086302840
 Pt        11.3953196393       -0.1676290672        9.1864232485
 Pt        12.2864195780        0.9151421175       -0.1210407557
 Pt        12.6535584868        0.7030629696        6.8567298733
 Pt        11.1463896339        1.5749643525        4.5322639615
 Pt        13.7989151112        0.0424576222        2.2114044101
 Pt        14.1708214521       -0.1679961028        9.1883913076
 Pt        15.0605444546        0.9160646957       -0.1173983743
 Pt        15.4287707687        0.7036022986        6.8558877721
 Pt        13.9205112353        1.5738601707        4.5347755918
 Pt        -1.4620581938        2.4453605507        2.2117102573
 Pt        -1.0923896851        2.2301106059        9.1884647829
 Pt        -0.1983971373        3.3185903279       -0.1208350556
 Pt         0.1685875995        3.1057617995        6.8586142707
 Pt        -1.3414306362        3.9775786479        4.5333977854
 Pt         1.3127017852        2.4454473960        2.2127064380
 Pt         1.6831484357        2.2298187812        9.1870077947
 Pt         2.5750313561        3.3196169737       -0.1121135203
 Pt         2.9434604551        3.1073866010        6.8560740013
 Pt         1.4325210925        3.9808164604        4.5377443918
 Pt         4.0887736047        2.4459814738        2.2111965337
 Pt         4.4571889909        2.2315209113        9.1917873207
 Pt         5.3516731038        3.3197006368       -0.1102466247
 Pt         5.7160549874        3.1083171864        6.8577894270
 Pt         4.2081651380        3.9877082145        4.5443492208
 Pt         6.8633222593        2.4461214853        2.2102553315
 Pt         7.2313505503        2.2310241249        9.1830713421
 Pt         8.1244693821        3.3199074434       -0.1233994656
 Pt         8.4911741681        3.1075142079        6.8518071109
 Pt         6.9828308883        3.9792126858        4.5369675970
 Pt         9.6367237848        2.4451767572        2.2072354302
 Pt        10.0070885670        2.2324892570        9.1817960245
 Pt        10.8988959922        3.3183895205       -0.1231734858
 Pt        11.2666125271        3.1066756432        6.8538749959
 Pt         9.7584233415        3.9773118977        4.5291315975
 Pt        12.4113386230        2.4452928566        2.2088978093
 Pt        12.7824100963        2.2322434871        9.1866384867
 Pt        13.6741502985        3.3182616063       -0.1207525663
 Pt        14.0414685431        3.1072831818        6.8567469731
 Pt        12.5325761796        3.9762022594        4.5322928098
 Pt        -2.8499055445        4.8482496247        2.2088642062
 Pt        -2.4805893057        4.6331110814        9.1864769938
 Pt        -1.5873710029        5.7213027770       -0.1212266452
 Pt        -1.2185713037        5.5089617059        6.8552152736
 Pt        -2.7296268483        6.3807397396        4.5302568754
 Pt        -0.0751787658        4.8477736627        2.2098621606
 Pt         0.2913707602        4.6322083148        9.1928370754
 Pt         1.1901718572        5.7224683907       -0.1180592332
 Pt         1.5561557734        5.5078631610        6.8623474564
 Pt         0.0458121959        6.3795550972        4.5315953620
 Pt         2.7003989505        4.8490465758        2.2203288446
 Pt         3.0579895042        4.6213753753        9.2032127285
 Pt         3.9642965044        5.7207238710       -0.1059517836
 Pt         4.3299683981        5.5171878045        6.9049501448
 Pt         2.8233207422        6.3828644148        4.5494674736
 Pt         5.4752938916        4.8502407584        2.2243732452
 Pt         5.8520524971        4.6226689505        9.2052103505
 Pt         6.7358115420        5.7223169314       -0.1142184167
 Pt         7.1014530606        5.5119070432        6.8688415317
 Pt         5.5923140561        6.3822947106        4.5648497577
 Pt         8.2494669090        4.8484231048        2.2105737785
 Pt         8.6204963113        4.6349772675        9.1830413158
 Pt         9.5104871778        5.7205961790       -0.1237605685
 Pt         9.8783172551        5.5101181352        6.8518725551
 Pt         8.3690172862        6.3801796051        4.5367253917
 Pt        11.0241548746        4.8485515450        2.2073103400
 Pt        11.3943301862        4.6351473853        9.1819189892
 Pt        12.2858132541        5.7208878420       -0.1221263680
 Pt        12.6540520865        5.5104761996        6.8521555781
 Pt        11.1440222972        6.3815414818        4.5290677342
 Pt        -4.2363999081        7.2513712845        2.2073848786
 Pt        -3.8675252882        7.0371260490        9.1860554148
 Pt        -2.9747937562        8.1248883758       -0.1212836919
 Pt        -2.6081633667        7.9126796023        6.8539141915
 Pt        -4.1162772637        8.7838462465        4.5319609106
 Pt        -1.4624949493        7.2517888800        2.2084690725
 Pt        -1.0964773368        7.0379476103        9.1816501188
 Pt        -0.1986971408        8.1243810078       -0.1203982291
 Pt         0.1657465089        7.9137825260        6.8481572905
 Pt        -1.3399379743        8.7832935400        4.5287966544
 Pt         1.3117871845        7.2513919810        2.2109162188
 Pt         1.6647190633        7.0361141992        9.1816351387
 Pt         2.5757700331        8.1240733931       -0.1176558795
 Pt         2.9399381810        7.9142304266        6.8773520933
 Pt         1.4382961415        8.7808065871        4.5283541881
 Pt         4.0850339555        7.2526801550        2.2240554100
 Pt         4.4573420408        7.0388074209        9.2667624649
 Pt         5.3510307220        8.1235332099       -0.1068808052
 Pt         5.7121733928        7.9101935947        6.9018394744
 Pt         4.2076011238        8.7800554489        4.5487290330
 Pt         6.8605217346        7.2497385492        2.2235782675
 Pt         7.2468879797        7.0394115239        9.2045279837
 Pt         8.1240543348        8.1223191454       -0.1108462590
 Pt         8.4905404420        7.9133826699        6.8572704812
 Pt         6.9749061905        8.7788146783        4.5421894375
 Pt         9.6367566855        7.2499527094        2.2098914937
 Pt        10.0074922576        7.0397723301        9.1835333543
 Pt        10.9001666667        8.1255089936       -0.1201450752
 Pt        11.2659915493        7.9119878710        6.8535276382
 Pt         9.7540474005        8.7848206796        4.5320002350
 Pt        -5.6254667656        9.6540330105        2.2095634193
 Pt        -5.2533362169        9.4410666787        9.1867797631
 Pt        -4.3621764061       10.5268907768       -0.1185138131
 Pt        -3.9950885162       10.3152836398        6.8563459884
 Pt        -5.5035987715       11.1861239672        4.5341235793
 Pt        -2.8502044701        9.6558690922        2.2076217631
 Pt        -2.4809345615        9.4416319528        9.1852936014
 Pt        -1.5876215401       10.5273822287       -0.1268100522
 Pt        -1.2215542897       10.3165587470        6.8518999196
 Pt        -2.7281710567       11.1866142564        4.5321107563
 Pt        -0.0768923468        9.6557431582        2.2055016785
 Pt         0.2912477103        9.4438352323        9.1789767904
 Pt         1.1878298916       10.5265938361       -0.1208117578
 Pt         1.5528464469       10.3167277410        6.8478687157
 Pt         0.0472126949       11.1857728927        4.5286954646
 Pt         2.6996310071        9.6552723620        2.2104391961
 Pt         3.0631236983        9.4590932580        9.1805363772
 Pt         3.9624222432       10.5252611592       -0.1190066211
 Pt         4.3319124526       10.3158405041        6.8613743456
 Pt         2.8218454662       11.1871465817        4.5312307155
 Pt         5.4743667908        9.6536571106        2.2191765964
 Pt         5.8512292798        9.4602755089        9.1999829261
 Pt         6.7358583513       10.5274654093       -0.1128113051
 Pt         7.1051938029       10.3148542217        6.8545284053
 Pt         5.5926774486       11.1854332221        4.5368501538
 Pt         8.2498264345        9.6528448509        2.2104531793
 Pt         8.6201702921        9.4423876920        9.1919113646
 Pt         9.5118147403       10.5282201931       -0.1237687124
 Pt         9.8785762389       10.3141037350        6.8567884442
 Pt         8.3688398497       11.1852031835        4.5329984831
 Pt        -7.0117172469       12.0554214611        2.2091669538
 Pt        -6.6406130673       11.8450296121        9.1859236613
 Pt        -5.7508805433       12.9311847531       -0.1196910679
 Pt        -5.3805930651       12.7178706700        6.8561110296
 Pt        -6.8897409921       13.5891610880        4.5318158975
 Pt        -4.2382553572       12.0582368190        2.2111855183
 Pt        -3.8668090126       11.8440078528        9.1862750953
 Pt        -2.9746606653       12.9305502576       -0.1185512170
 Pt        -2.6073522982       12.7193911013        6.8559583398
 Pt        -4.1157164411       13.5904859440        4.5341004410
 Pt        -1.4639615663       12.0573593150        2.2075597545
 Pt        -1.0934638465       11.8454092659        9.1847376697
 Pt        -0.2011860018       12.9300783228       -0.1215131709
 Pt         0.1669078488       12.7195274928        6.8536557910
 Pt        -1.3414757706       13.5901434726        4.5317654459
 Pt         1.3120383355       12.0576471162        2.2081753410
 Pt         1.6806315460       11.8487739181        9.1814275877
 Pt         2.5743002187       12.9307199062       -0.1219244128
 Pt         2.9435147519       12.7178672208        6.8551536647
 Pt         1.4330952248       13.5903061515        4.5302754928
 Pt         4.0878775450       12.0578849426        2.2091393979
 Pt         4.4583582585       11.8504801902        9.1923157482
 Pt         5.3500423879       12.9297260697       -0.1216394321
 Pt         5.7185179970       12.7182519208        6.8582161182
 Pt         4.2082320587       13.5892144979        4.5331562489
 Pt         6.8624713401       12.0573072165        2.2121689863
 Pt         7.2348807516       11.8460058935        9.1865883076
 Pt         8.1239532008       12.9301789047       -0.1200592459
 Pt         8.4930589014       12.7187524515        6.8562359695
 Pt         6.9835737991       13.5880540723        4.5339972651
  O         4.3602340155        7.1355600811       11.6228572671
  H         5.2389341506        7.5114169449       11.8262707095
  H         4.4256360404        6.1894442105       11.8566692549
