     217
 i =        1, E =    -17722.9239640792
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0014246077        1.6119364931        4.5542695189
 Pt         2.7914422953        1.6130780197        4.5541571890
 Pt         5.5833942409        1.6107081393        4.5545804893
 Pt         8.3777020863        1.6120688155        4.5545505932
 Pt        11.1672207669        1.6132601563        4.5543001646
 Pt        13.9590683301        1.6107102639        4.5546394559
 Pt         1.3952761858        4.0288141849        4.5544299082
 Pt         4.1896337980        4.0299382547        4.5544021016
 Pt         6.9794185633        4.0311799096        4.5540396104
 Pt         9.7712130659        4.0287939339        4.5539584878
 Pt        12.5654971328        4.0299298643        4.5542599578
 Pt        15.3552633746        4.0311965125        4.5542560104
 Pt         2.7914107358        6.4492312598        4.5542454332
 Pt         5.5832929808        6.4466463869        4.5544393444
 Pt         8.3753466754        6.4465442498        4.5511016648
 Pt        11.1694872896        6.4478852537        4.5511360528
 Pt        13.9592001141        6.4466675822        4.5543185438
 Pt        16.7535043408        6.4480097704        4.5544839659
 Pt         4.1896545989        8.8658608411        4.5544544087
 Pt         6.9794683065        8.8669977252        4.5536527085
 Pt         9.7712309670        8.8670423913        4.5513399089
 Pt        12.5654634564        8.8656984201        4.5538338434
 Pt        15.3551751365        8.8670919373        4.5543291627
 Pt        18.1472415979        8.8647583878        4.5546159582
 Pt         5.5832587309       11.2823270835        4.5546693850
 Pt         8.3775395934       11.2836580936        4.5542393775
 Pt        11.1673541876       11.2848914223        4.5540666323
 Pt        13.9592482744       11.2823735851        4.5546871195
 Pt        16.7537128131       11.2838422541        4.5542139329
 Pt        19.5431815046       11.2850328863        4.5540959373
 Pt         6.9792372212       13.7027855184        4.5542498845
 Pt         9.7712229571       13.7003591451        4.5545829265
 Pt        12.5656583361       13.7015513454        4.5544155468
 Pt        15.3555133914       13.7028088713        4.5542797355
 Pt        18.1472506018       13.7002700929        4.5543724326
 Pt        20.9413933280       13.7015841365        4.5544380580
 Pt        -0.0000251417       -0.0000864010        6.8349019021
 Pt         2.7921608056       -0.0001837328        6.8214643257
 Pt         5.5841997179        0.0001217263        6.8495085457
 Pt         8.3760251931        0.0001783291        6.8349970948
 Pt        11.1680865831        0.0001376515        6.8214773309
 Pt        13.9605639661        0.0000709766        6.8495239400
 Pt         1.3963675220        2.4179242175        6.8497940596
 Pt         4.1880618635        2.4179998778        6.8349100238
 Pt         6.9798193271        2.4175034568        6.8216858264
 Pt         9.7723688645        2.4184744086        6.8475366099
 Pt        12.5643455368        2.4175708642        6.8351420680
 Pt        15.3560425327        2.4179743470        6.8214641096
 Pt         2.7922879446        4.8359223406        6.8214543918
 Pt         5.5845446482        4.8360951859        6.8478270872
 Pt         8.3762650204        4.8372757817        6.8356999563
 Pt        11.1676671840        4.8374835562        6.8231592950
 Pt        13.9600285342        4.8359653180        6.8477825316
 Pt        16.7518986834        4.8359398200        6.8348946600
 Pt         4.1874788975        7.2537069765        6.8351809895
 Pt         6.9816707317        7.2533278232        6.8230291166
 Pt         9.7719570006        7.2538610929        6.7797276085
 Pt        12.5627539424        7.2533340580        6.8355445636
 Pt        15.3566911653        7.2536795265        6.8217063433
 Pt        18.1483473505        7.2536117556        6.8495217940
 Pt         5.5847735343        9.6714614510        6.8475627901
 Pt         8.3771027038        9.6708624050        6.8357217589
 Pt        11.1668497099        9.6705427249        6.8231325138
 Pt        13.9598386454        9.6715177534        6.8475465331
 Pt        16.7518112701        9.6717286151        6.8349702957
 Pt        19.5443738352        9.6717160896        6.8215097366
 Pt         6.9800023964       12.0901784133        6.8216817325
 Pt         9.7724146146       12.0894154841        6.8477848771
 Pt        12.5641150828       12.0902320027        6.8351353126
 Pt        15.3560494044       12.0894979509        6.8215039345
 Pt        18.1483654980       12.0897000645        6.8498293202
 Pt        20.9400990899       12.0895943046        6.8350042989
  O         1.3379172692        2.4180280059        9.4880913105
  H         1.8779999964        3.2356329522        9.8271990629
  H         1.8779862222        1.6002628715        9.8271895410
  O         2.7330874179        4.8359408872        9.9290957811
  H         2.8042278712        4.8358944431        8.8677454840
  H         3.7335974386        4.8357837125       10.1769752807
  O         5.5270633423        4.8375285828        9.4897409571
  H         6.0639983260        5.6509120749        9.8266846656
  H         6.0658336278        4.0178273601        9.8272210453
  O         6.9211753129        2.4185562409        9.9295324576
  H         6.9922079195        2.4178980498        8.8674195143
  H         7.9217231384        2.4174394397       10.1768417568
  O         5.5257340690        0.0001005070        9.4881789428
  H         6.0658883068        0.8175200843        9.8271740418
  H         6.0660684035       -0.8176725853        9.8271630992
  O         2.7329622981       -0.0002682285        9.9290858764
  H         2.8042288237        0.0000337853        8.8677122994
  H         3.7339931829        0.0000780861       10.1769869145
  O         5.5269262578        9.6701266259        9.4897598675
  H         6.0658004633       10.4898243864        9.8272379196
  H         6.0639793813        8.8567484055        9.8266637741
  O         6.9211896477       12.0891572785        9.9295322956
  H         6.9922009590       12.0897606345        8.8674200372
  H         7.9217201192       12.0902296091       10.1768433561
  O         9.7146368422       12.0874278197        9.4898171265
  H        10.2541878740       12.9078484714        9.8274221743
  H        10.2526662732       11.2753399020        9.8265641869
  O        11.1023622909        9.6600267810        9.9325368500
  H        11.1812859569        9.6747941959        8.8617438239
  H        12.1131613129        9.6718175673       10.1777984391
  O         9.7142921767        7.2539223927        9.6105887903
  H         9.7690038442        7.2538278034        8.4586971399
  H        10.2643118383        8.0979912382        9.8346059718
  H        10.2642953381        6.4096609982        9.8346074813
  O         6.9324340794        7.2538509420        9.9346873758
  H         6.9898788082        7.2538126146        8.8619708991
  H         7.9060067033        7.2538091810       10.1801307965
  O         9.7146292992        2.4200019092        9.4898386497
  H        10.2526319624        3.2322990972        9.8265720627
  H        10.2542277066        1.5997973423        9.8274252209
  O        11.1025366161        4.8476319017        9.9325540228
  H        11.1813302243        4.8329037128        8.8617371673
  H        12.1131820551        4.8358390261       10.1777874515
  O        13.8999647993        4.8363137282        9.4899241477
  H        14.4425379825        5.6535335622        9.8270902917
  H        14.4422930082        4.0177931604        9.8273175119
  O        15.2967373490        2.4181590171        9.9290565493
  H        15.3682337212        2.4179282460        8.8677194802
  H        16.2980105569        2.4179185286       10.1770375360
  O        13.9018331293       -0.0001256624        9.4882133722
  H        14.4420683752        0.8176628946        9.8271715072
  H        14.4419103188       -0.8175242182        9.8271582322
  O        11.1087644314        0.0003012873        9.9290725453
  H        11.1802582978       -0.0000263663        8.8677183483
  H        12.1099671513       -0.0000918158       10.1769849300
  O        13.9001209116        9.6713518869        9.4899609572
  H        14.4423003801       10.4898640917        9.8273458022
  H        14.4425652987        8.8541231200        9.8270728190
  O        15.2967380050       12.0894894265        9.9290534685
  H        15.3682262205       12.0897661435        8.8677191296
  H        16.2980165490       12.0896901392       10.1770383791
  O        18.0899186906       12.0898144127        9.4881144091
  H        18.6299918128       12.9073778169        9.8271987973
  H        18.6299879547       11.2720224155        9.8271952770
  O        19.4852758392        9.6717408362        9.9291031219
  H        19.5562054703        9.6717587998        8.8677386466
  H        20.4856316082        9.6718685298       10.1769742152
  O        18.0898113553        7.2537460534        9.4882144658
  H        18.6299556057        8.0715741326        9.8271851574
  H        18.6299902325        6.4360861787        9.8271653247
  O        15.2963589466        7.2538611452        9.9293158071
  H        15.3682543351        7.2538397116        8.8674388004
  H        16.2981723017        7.2538403380       10.1770928221
     217
 i =        2, E =    -17722.9774716583
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0020497615        1.6118905259        4.5531621128
 Pt         2.7911620343        1.6136598443        4.5530026690
 Pt         5.5830450542        1.6101349903        4.5533816130
 Pt         8.3783832074        1.6120567658        4.5533815586
 Pt        11.1669303416        1.6138983458        4.5531691167
 Pt        13.9586335805        1.6101394349        4.5534033167
 Pt         1.3949031262        4.0282730683        4.5532897764
 Pt         4.1902767857        4.0298612994        4.5532396242
 Pt         6.9790688443        4.0316957855        4.5529457320
 Pt         9.7708544838        4.0281911887        4.5526621060
 Pt        12.5661733736        4.0298144672        4.5532318461
 Pt        15.3549944232        4.0317982575        4.5530959171
 Pt         2.7911409766        6.4498869912        4.5530841190
 Pt         5.5828320542        6.4461044781        4.5533337111
 Pt         8.3743620869        6.4455819769        4.5476953764
 Pt        11.1708245994        6.4475028932        4.5476605389
 Pt        13.9589184163        6.4460892899        4.5531888050
 Pt        16.7541502248        6.4479951993        4.5532722209
 Pt         4.1903428432        8.8658038590        4.5533241766
 Pt         6.9791179659        8.8676165676        4.5523855726
 Pt         9.7708707004        8.8683721201        4.5479044040
 Pt        12.5661567072        8.8656803099        4.5525666256
 Pt        15.3548473632        8.8676938987        4.5532072938
 Pt        18.1468490264        8.8642525942        4.5535006965
 Pt         5.5828974408       11.2817251102        4.5535174706
 Pt         8.3781556752       11.2837037602        4.5530968893
 Pt        11.1671207325       11.2855494685        4.5530394792
 Pt        13.9588396697       11.2817896258        4.5534820086
 Pt        16.7543978945       11.2838141335        4.5531104151
 Pt        19.5428560427       11.2856579690        4.5529424652
 Pt         6.9789253172       13.7033620063        4.5530809621
 Pt         9.7708315886       13.6998281600        4.5533899514
 Pt        12.5663481253       13.7014686663        4.5532540358
 Pt        15.3552691420       13.7033961386        4.5531962915
 Pt        18.1468614163       13.6996698193        4.5532356841
 Pt        20.9420145343       13.7014947023        4.5533538896
 Pt        -0.0000589263       -0.0001108561        6.8332771369
 Pt         2.7922856462       -0.0002065578        6.8199506153
 Pt         5.5842200595        0.0001582215        6.8531236667
 Pt         8.3760199779        0.0002067323        6.8333903667
 Pt        11.1681681553        0.0001937932        6.8200001925
 Pt        13.9607253024        0.0000979980        6.8531423929
 Pt         1.3964548992        2.4179178097        6.8535317314
 Pt         4.1880396651        2.4180072395        6.8332785995
 Pt         6.9799118654        2.4175049441        6.8203466709
 Pt         9.7724721298        2.4186978530        6.8507239415
 Pt        12.5643296829        2.4175799326        6.8337006260
 Pt        15.3561334473        2.4180022366        6.8199482713
 Pt         2.7924348504        4.8359525117        6.8199700802
 Pt         5.5846614227        4.8361386341        6.8511253529
 Pt         8.3761663245        4.8372344368        6.8339421733
 Pt        11.1678161674        4.8375264694        6.8220729754
 Pt        13.9600440190        4.8359606068        6.8510377342
 Pt        16.7518395929        4.8359427308        6.8332611895
 Pt         4.1874272923        7.2536755312        6.8337416114
 Pt         6.9818457900        7.2533149504        6.8219520082
 Pt         9.7723410286        7.2538519324        6.7759432697
 Pt        12.5627659073        7.2532988025        6.8337791389
 Pt        15.3568389468        7.2536670006        6.8203611672
 Pt        18.1484324462        7.2535220905        6.8531457655
 Pt         5.5850385296        9.6713143081        6.8508113285
 Pt         8.3770618451        9.6709249481        6.8339547452
 Pt        11.1669516841        9.6705616892        6.8220942516
 Pt        13.9597102148        9.6714177370        6.8507509154
 Pt        16.7517262392        9.6717351910        6.8333711553
 Pt        19.5445472012        9.6717423908        6.8199943968
 Pt         6.9801313385       12.0902232828        6.8203419807
 Pt         9.7725251986       12.0893434838        6.8510209703
 Pt        12.5640537091       12.0902473743        6.8336922441
 Pt        15.3561545810       12.0894563446        6.8199909393
 Pt        18.1484527971       12.0896924543        6.8535975597
 Pt        20.9400754550       12.0895464920        6.8333973303
  O         1.3578695721        2.4184964008        9.5008316805
  H         1.8684111977        3.2222991789        9.8195952168
  H         1.8683730289        1.6136462097        9.8195686675
  O         2.7503847786        4.8359043850        9.9125525020
  H         2.8027088495        4.8358949645        8.8892874255
  H         3.7159579185        4.8357919848       10.1706159501
  O         5.5473145679        4.8363434730        9.5021246954
  H         6.0549174933        5.6381085034        9.8196115560
  H         6.0562297558        4.0313670602        9.8196819543
  O         6.9394314175        2.4190847652        9.9128596207
  H         6.9906699392        2.4179238206        8.8890357632
  H         7.9041094227        2.4174408040       10.1705033932
  O         5.5447800164        0.0000133373        9.5009011523
  H         6.0562966185        0.8041996154        9.8195812849
  H         6.0564520022       -0.8042879792        9.8195327228
  O         2.7521867415       -0.0003053648        9.9125980459
  H         2.8026918647        0.0000252488        8.8892229147
  H         3.7162397285        0.0000691673       10.1705774233
  O         5.5452767229        9.6713222636        9.5021609920
  H         6.0561803556       10.4762794181        9.8196942425
  H         6.0548958102        8.8695576629        9.8195785009
  O         6.9394273823       12.0895771635        9.9128575623
  H         6.9906617613       12.0897351577        8.8890362114
  H         7.9041122257       12.0902238089       10.1705063737
  O         9.7341675591       12.0882386211        9.5023795277
  H        10.2444357455       12.8941785770        9.8197984399
  H        10.2433716587       11.2881180102        9.8194545388
  O        11.1216230193        9.6588824599        9.9148693243
  H        11.1795423684        9.6750786411        8.8832219421
  H        12.0937086925        9.6710154893       10.1710875033
  O         9.7291763856        7.2544650162        9.6175180586
  H         9.7666301006        7.2538312645        8.4674126130
  H        10.2611307941        8.0902962151        9.8348042494
  H        10.2610970137        6.4173946241        9.8347983153
  O         6.9428725719        7.2534788869        9.9145505984
  H         6.9883965978        7.2538090532        8.8843913722
  H         7.8936702536        7.2538140054       10.1770217312
  O         9.7341457690        2.4182126895        9.5023907502
  H        10.2433166610        3.2194842733        9.8194463558
  H        10.2445009649        1.6134256633        9.8198191924
  O        11.1228037578        4.8492355171        9.9148750132
  H        11.1796029966        4.8326238460        8.8832150820
  H        12.0937760228        4.8366351111       10.1710824587
  O        13.9188569808        4.8359899507        9.5030901099
  H        14.4328366309        5.6402008910        9.8195677340
  H        14.4324701702        4.0313325376        9.8197046658
  O        15.3151709866        2.4177415886        9.9125984471
  H        15.3666874765        2.4179401599        8.8892260158
  H        16.2801837196        2.4179317477       10.1706160819
  O        13.9227445385       -0.0000351955        9.5009178358
  H        14.4324526657        0.8042817778        9.8195494280
  H        14.4323340668       -0.8042157714        9.8195719040
  O        11.1262275662        0.0003174503        9.9125889364
  H        11.1787217806       -0.0000243473        8.8892244416
  H        12.0921638795       -0.0000854389       10.1705669860
  O        13.9207964079        9.6716681662        9.5031044308
  H        14.4324926542       10.4763422035        9.8197506980
  H        14.4328889055        8.8674433945        9.8195579811
  O        15.3151730343       12.0889477794        9.9125992030
  H        15.3666799153       12.0897689722        8.8892227859
  H        16.2801902656       12.0896766944       10.1706159324
  O        18.1098663732       12.0902903175        9.5008546287
  H        18.6203947974       12.8940344104        9.8195948900
  H        18.6203850978       11.2853934548        9.8195781800
  O        19.5043521269        9.6717593676        9.9125572582
  H        19.5546858344        9.6717509783        8.8892796005
  H        20.4680382063        9.6718593123       10.1706222208
  O        18.1097106743        7.2532602723        9.5009346328
  H        18.6203462761        8.0582067356        9.8195709455
  H        18.6204016692        6.4494264495        9.8195611081
  O        15.3149729802        7.2543234274        9.9127906949
  H        15.3666685365        7.2538419797        8.8890040936
  H        16.2802274193        7.2538392054       10.1706557387
     217
 i =        3, E =    -17722.9892501618
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0035837433        1.6119466273        4.5501058400
 Pt         2.7903857877        1.6149380858        4.5497695438
 Pt         5.5823902707        1.6087108215        4.5502040260
 Pt         8.3800694239        1.6121860893        4.5502012848
 Pt        11.1661127344        1.6153144671        4.5499879879
 Pt        13.9577085274        1.6087280268        4.5501442219
 Pt         1.3941530924        4.0269358981        4.5502307110
 Pt         4.1918527246        4.0298445639        4.5500380605
 Pt         6.9780660564        4.0327237990        4.5497878615
 Pt         9.7701399653        4.0266923799        4.5491170648
 Pt        12.5679088226        4.0295951069        4.5503049402
 Pt        15.3542387692        4.0331275284        4.5498151614
 Pt         2.7904070793        6.4513738365        4.5498298980
 Pt         5.5817594206        6.4447372959        4.5503217647
 Pt         8.3721795787        6.4435525963        4.5391171327
 Pt        11.1737156901        6.4466129373        4.5388186084
 Pt        13.9585266290        6.4446531040        4.5500898418
 Pt        16.7557245698        6.4481535255        4.5500036890
 Pt         4.1920320649        8.8658521572        4.5502310869
 Pt         6.9781704616        8.8689794092        4.5487737742
 Pt         9.7701381975        8.8713203464        4.5393201238
 Pt        12.5678599527        8.8658032882        4.5490260966
 Pt        15.3539516976        8.8690384276        4.5500436609
 Pt        18.1460604880        8.8630162949        4.5505049113
 Pt         5.5821695339       11.2802210152        4.5504490761
 Pt         8.3796085055       11.2840859366        4.5499124534
 Pt        11.1665109194       11.2871374937        4.5500322103
 Pt        13.9580242576       11.2803347545        4.5502972960
 Pt        16.7560988336       11.2839246419        4.5500456464
 Pt        19.5419528090       11.2870551598        4.5496925067
 Pt         6.9780581815       13.7046027400        4.5498102520
 Pt         9.7700439886       13.6985152845        4.5501845091
 Pt        12.5680527238       13.7014091158        4.5500798188
 Pt        15.3545931653       13.7046787938        4.5501161756
 Pt        18.1460767746       13.6981676999        4.5501682956
 Pt        20.9435245203       13.7014372340        4.5503587550
 Pt        -0.0000716366       -0.0001734706        6.8289854407
 Pt         2.7925102281       -0.0002959085        6.8105885117
 Pt         5.5843198835        0.0002655995        6.8615404204
 Pt         8.3760713131        0.0003098462        6.8291157666
 Pt        11.1683086702        0.0003316660        6.8106955137
 Pt        13.9612166103        0.0001707936        6.8615740340
 Pt         1.3967386152        2.4179073676        6.8622974853
 Pt         4.1880561739        2.4180370948        6.8289434255
 Pt         6.9800391072        2.4174155665        6.8113903723
 Pt         9.7727717970        2.4192692705        6.8578498425
 Pt        12.5643900659        2.4175468772        6.8298616696
 Pt        15.3562782204        2.4180566302        6.8105896736
 Pt         2.7927385379        4.8360018739        6.8106422593
 Pt         5.5850494610        4.8362635421        6.8586431443
 Pt         8.3760966833        4.8374302906        6.8294386510
 Pt        11.1679854072        4.8379094487        6.8135569395
 Pt        13.9600854600        4.8359705091        6.8583882017
 Pt        16.7517498404        4.8359585520        6.8289197059
 Pt         4.1873127523        7.2536024945        6.8299065581
 Pt         6.9824823056        7.2531785617        6.8131083974
 Pt         9.7729237591        7.2538419095        6.7589674049
 Pt        12.5625997169        7.2531247744        6.8291915978
 Pt        15.3572047370        7.2536055214        6.8114224347
 Pt        18.1487060506        7.2532776306        6.8615961206
 Pt         5.5857640640        9.6709579277        6.8581692499
 Pt         8.3772931358        9.6708678512        6.8294145991
 Pt        11.1668605790        9.6703622945        6.8136589463
 Pt        13.9594229623        9.6711564944        6.8579539313
 Pt        16.7515660583        9.6717410454        6.8291386367
 Pt        19.5449200545        9.6717676592        6.8106318743
 Pt         6.9803465868       12.0903607132        6.8113815875
 Pt         9.7728569931       12.0891274057        6.8583042699
 Pt        12.5640078909       12.0903468088        6.8298467085
 Pt        15.3563115224       12.0893132725        6.8106454201
 Pt        18.1487331975       12.0896793575        6.8624688885
 Pt        20.9401088511       12.0894227860        6.8291249562
  O         1.3628047072        2.4177252712        9.5047121344
  H         1.8671530186        3.2155002844        9.8146064468
  H         1.8667261035        1.6211802017        9.8143162816
  O         2.7521207979        4.8359495629        9.9080921042
  H         2.8051950371        4.8358942062        8.9069458306
  H         3.7086033698        4.8357535583       10.1611194468
  O         5.5503506926        4.8350360618        9.5059344820
  H         6.0539927585        5.6316993316        9.8153683126
  H         6.0550954183        4.0380864078        9.8149109931
  O         6.9406018846        2.4196492608        9.9080105881
  H         6.9932201817        2.4179843412        8.9068389476
  H         7.8976543705        2.4172246602       10.1611465562
  O         5.5502044642       -0.0000667764        9.5051484235
  H         6.0545170894        0.7967581153        9.8143100788
  H         6.0547204368       -0.7968192306        9.8142087049
  O         2.7528671530       -0.0004145408        9.9080125881
  H         2.8053568476        0.0000216057        8.9068983321
  H         3.7105056603        0.0000966046       10.1613228625
  O         5.5498249986        9.6725480717        9.5066861297
  H         6.0544020282       10.4689893256        9.8145775932
  H         6.0533449089        8.8765635921        9.8149501807
  O         6.9407494028       12.0895895238        9.9080151463
  H         6.9932053742       12.0897186057        8.9068376078
  H         7.8976517702       12.0904219727       10.1611485924
  O         9.7384100964       12.0902730783        9.5068948178
  H        10.2427893131       12.8866950881        9.8147237396
  H        10.2421874671       11.2949015335        9.8151815647
  O        11.1230433669        9.6519354213        9.9073104070
  H        11.1820235779        9.6767594987        8.9008472503
  H        12.0843096136        9.6696045301       10.1611662702
  O         9.7357084408        7.2542571133        9.6451823690
  H         9.7607315488        7.2538855504        8.4708030482
  H        10.2698422891        8.0932087348        9.8426423007
  H        10.2694257348        6.4152155062        9.8425003090
  O         6.9390897993        7.2535691020        9.9058233450
  H         6.9900193945        7.2537853852        8.9027436762
  H         7.8869814009        7.2538213667       10.1729967353
  O         9.7386110051        2.4177640044        9.5069023710
  H        10.2416871942        3.2119458004        9.8148885374
  H        10.2432613242        1.6201616853        9.8150102665
  O        11.1249949693        4.8546164500        9.9071078535
  H        11.1822410705        4.8309787915        8.9008580674
  H        12.0853925367        4.8380541964       10.1613348167
  O        13.9230607448        4.8358419726        9.5093762476
  H        14.4309534067        5.6325214010        9.8142983639
  H        14.4304723149        4.0389488896        9.8144562839
  O        15.3164556161        2.4176354836        9.9079413939
  H        15.3692396747        2.4179407500        8.9068960557
  H        16.2735642700        2.4179532479       10.1612278896
  O        13.9268045449        0.0000816656        9.5044613184
  H        14.4313241945        0.7973766514        9.8145830402
  H        14.4311869278       -0.7973564826        9.8146436218
  O        11.1281090865        0.0005276164        9.9081587696
  H        11.1811813497       -0.0000332038        8.9068591874
  H        12.0846671592       -0.0001251243       10.1610004477
  O        13.9245404346        9.6718549570        9.5086830948
  H        14.4310945374       10.4692778081        9.8148569738
  H        14.4316360413        8.8745735798        9.8146109157
  O        15.3163947544       12.0884725098        9.9079456867
  H        15.3692307856       12.0897704670        8.9068891036
  H        16.2735734724       12.0896548541       10.1612255962
  O        18.1147903601       12.0895140826        9.5047492042
  H        18.6191288711       12.8872219176        9.8146126928
  H        18.6187487445       11.2929116110        9.8143267157
  O        19.5048021011        9.6717352160        9.9079505990
  H        19.5573790944        9.6717366603        8.9069634426
  H        20.4624606346        9.6718917537       10.1614381616
  O        18.1146488267        7.2540132464        9.5048533597
  H        18.6186623342        8.0506732785        9.8143022233
  H        18.6191203916        6.4562448122        9.8145442520
  O        15.3163011296        7.2546589241        9.9080064039
  H        15.3691669784        7.2538704165        8.9067596022
  H        16.2735539010        7.2538316443       10.1612701725
     217
 i =        4, E =    -17722.9969016053
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0057745946        1.6121224736        4.5461519387
 Pt         2.7892062576        1.6166855604        4.5455591018
 Pt         5.5815555691        1.6066557626        4.5460602873
 Pt         8.3823894007        1.6124231541        4.5460032321
 Pt        11.1649140873        1.6172184673        4.5458283513
 Pt        13.9565084885        1.6066970617        4.5458628278
 Pt         1.3932029944        4.0249950836        4.5462982407
 Pt         4.1939968993        4.0298874851        4.5458244908
 Pt         6.9763939952        4.0338995244        4.5456680887
 Pt         9.7692285351        4.0244848427        4.5443988152
 Pt        12.5704681249        4.0291328017        4.5465451395
 Pt        15.3531763007        4.0349101834        4.5454796543
 Pt         2.7892731225        6.4534153479        4.5455914184
 Pt         5.5800777453        6.4427684481        4.5464347480
 Pt         8.3693181115        6.4409907381        4.5273378720
 Pt        11.1774544514        6.4453990682        4.5268367584
 Pt        13.9583613520        6.4425838217        4.5460571993
 Pt        16.7579393983        6.4484732140        4.5457111481
 Pt         4.1943630979        8.8659849632        4.5462066313
 Pt         6.9767391597        8.8708688184        4.5439957370
 Pt         9.7692308577        8.8751942793        4.5275363318
 Pt        12.5702521866        8.8661229135        4.5443511187
 Pt        15.3526399853        8.8708967459        4.5458796536
 Pt        18.1450337820        8.8612354902        4.5465887760
 Pt         5.5812245116       11.2781118492        4.5464379029
 Pt         8.3814989399       11.2849764314        4.5457331626
 Pt        11.1657017515       11.2895421680        4.5461793108
 Pt        13.9569858963       11.2783025131        4.5461053220
 Pt        16.7585054647       11.2841569270        4.5460819454
 Pt        19.5406286672       11.2889536670        4.5454666548
 Pt         6.9767299520       13.7063401228        4.5455146794
 Pt         9.7690175628       13.6966863333        4.5459119329
 Pt        12.5704580053       13.7014045029        4.5459473196
 Pt        15.3535894911       13.7064301967        4.5461060691
 Pt        18.1450811665       13.6960293770        4.5462342355
 Pt        20.9456290774       13.7014439524        4.5464797457
 Pt        -0.0000366091       -0.0002737573        6.8227874757
 Pt         2.7928407089       -0.0004132152        6.7970879501
 Pt         5.5844317954        0.0004099964        6.8720639311
 Pt         8.3761930347        0.0004681004        6.8228342501
 Pt        11.1685057686        0.0005417631        6.7970946158
 Pt        13.9618860901        0.0002845515        6.8721901089
 Pt         1.3971201941        2.4178838773        6.8733638871
 Pt         4.1881262834        2.4180772214        6.8225778820
 Pt         6.9802748908        2.4173398500        6.7984744526
 Pt         9.7731655445        2.4200510775        6.8666620410
 Pt        12.5644509170        2.4175657669        6.8242955549
 Pt        15.3564736980        2.4181371637        6.7970944893
 Pt         2.7931491842        4.8360727438        6.7970018121
 Pt         5.5855367372        4.8363940355        6.8681328850
 Pt         8.3760675699        4.8376637322        6.8226602179
 Pt        11.1682449285        4.8383798140        6.8004159946
 Pt        13.9601516021        4.8359711822        6.8675267162
 Pt        16.7516511561        4.8359820555        6.8225521250
 Pt         4.1872908995        7.2535228195        6.8243305945
 Pt         6.9833347468        7.2530079080        6.7995178601
 Pt         9.7735385549        7.2538409056        6.7412310430
 Pt        12.5624305810        7.2528940123        6.8221484564
 Pt        15.3576439713        7.2535388753        6.7985391327
 Pt        18.1490797000        7.2529345386        6.8722082720
 Pt         5.5867402459        9.6704791928        6.8673699134
 Pt         8.3776604910        9.6707955654        6.8224742816
 Pt        11.1667883958        9.6701640710        6.8004981358
 Pt        13.9590027152        9.6708021685        6.8669327564
 Pt        16.7513663657        9.6717396207        6.8230267599
 Pt        19.5454566434        9.6717941657        6.7971317178
 Pt         6.9806726936       12.0904743014        6.7984604476
 Pt         9.7732878420       12.0888805204        6.8673279762
 Pt        12.5639733224       12.0903900659        6.8242773770
 Pt        15.3565068979       12.0891132262        6.7971717602
 Pt        18.1491081422       12.0896509797        6.8737146700
 Pt        20.9402132511       12.0892338443        6.8228480659
  O         1.3606012064        2.4180858427        9.5051729592
  H         1.8692914059        3.2118897309        9.8099358428
  H         1.8693762517        1.6240702071        9.8099301517
  O         2.7477864976        4.8360012712        9.9147974479
  H         2.8085798485        4.8358921498        8.9168405028
  H         3.7053564723        4.8356780110       10.1505429978
  O         5.5471777445        4.8351020870        9.5076157470
  H         6.0555463878        5.6275315486        9.8110974776
  H         6.0574697796        4.0409924121        9.8105969801
  O         6.9372847001        2.4205814442        9.9151078693
  H         6.9966434932        2.4180760141        8.9165759447
  H         7.8939995142        2.4169136121       10.1503324616
  O         5.5483261356       -0.0000781576        9.5056848087
  H         6.0568594065        0.7936255231        9.8098353050
  H         6.0572013990       -0.7937382506        9.8096919164
  O         2.7504007499       -0.0005465169        9.9154253159
  H         2.8088475714        0.0000179429        8.9167300670
  H         3.7066544195        0.0001487820       10.1503729223
  O         5.5471748553        9.6727330057        9.5082034241
  H         6.0569081136       10.4664939788        9.8104333436
  H         6.0551758889        8.8801789681        9.8108585414
  O         6.9374945968       12.0896747488        9.9150815119
  H         6.9966344624       12.0896829427        8.9165810779
  H         7.8941477834       12.0907715505       10.1503637656
  O         9.7358830641       12.0899046606        9.5088893812
  H        10.2457482739       12.8844923166        9.8108023260
  H        10.2435411324       11.2996598637        9.8111266595
  O        11.1180726175        9.6416353922        9.9115547542
  H        11.1855698531        9.6793315040        8.9093736804
  H        12.0785437869        9.6673002327       10.1500158268
  O         9.7427127079        7.2541674206        9.6752508749
  H         9.7516933502        7.2539409204        8.4738004642
  H        10.2837154386        8.0978305375        9.8554272312
  H        10.2831934610        6.4108779147        9.8552740446
  O         6.9334074188        7.2531378608        9.9123558331
  H         6.9924581731        7.2537679884        8.9109816291
  H         7.8779619907        7.2538229410       10.1681153703
  O         9.7358607139        2.4171230132        9.5087513555
  H        10.2436888934        3.2080664532        9.8111853844
  H        10.2457766488        1.6230716233        9.8108274302
  O        11.1206550631        4.8627579326        9.9114537117
  H        11.1860915935        4.8283869608        8.9092946842
  H        12.0806959502        4.8402754142       10.1502241984
  O        13.9191243071        4.8357383724        9.5133836310
  H        14.4331872242        5.6291105424        9.8099015958
  H        14.4326198887        4.0421514876        9.8101356760
  O        15.3130584281        2.4174062266        9.9149307798
  H        15.3726613563        2.4179499239        8.9166507775
  H        16.2699454673        2.4179566372       10.1504571639
  O        13.9240453115        0.0000335046        9.5050991480
  H        14.4336579599        0.7939044219        9.8099372373
  H        14.4333874050       -0.7937921599        9.8099901502
  O        11.1238356783        0.0007791195        9.9148204282
  H        11.1845224121       -0.0000489726        8.9167394973
  H        12.0814153013       -0.0001890445       10.1503944778
  O        13.9204069985        9.6719265183        9.5123957354
  H        14.4334086602       10.4659998252        9.8105862500
  H        14.4340350265        8.8781175529        9.8102029568
  O        15.3129455401       12.0876861068        9.9149509054
  H        15.3726473289       12.0897737983        8.9166406212
  H        16.2698954965       12.0895851169       10.1504399047
  O        18.1125722418       12.0898900286        9.5052394572
  H        18.6212456068       12.8835736950        9.8099487145
  H        18.6214187725       11.2957612858        9.8099426103
  O        19.5023580131        9.6717088152        9.9154190196
  H        19.5609033629        9.6717176365        8.9167974934
  H        20.4585298022        9.6719579155       10.1504996114
  O        18.1123559702        7.2536289642        9.5053359181
  H        18.6212850282        8.0478179725        9.8099009149
  H        18.6212604032        6.4598446335        9.8098517219
  O        15.3128985165        7.2552081250        9.9149840991
  H        15.3725256925        7.2539093574        8.9165243328
  H        16.2698745161        7.2538556941       10.1504936905
     217
 i =        5, E =    -17722.9995733139
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0122761051        1.6129633635        4.5366857569
 Pt         2.7854696449        1.6215007854        4.5356025593
 Pt         5.5791800962        1.6004395298        4.5357805924
 Pt         8.3887123511        1.6131659287        4.5355171676
 Pt        11.1611070268        1.6221970778        4.5354617783
 Pt        13.9535510455        1.6005429118        4.5354188107
 Pt         1.3910842738        4.0189618166        4.5367304822
 Pt         4.1997591894        4.0303833528        4.5351019727
 Pt         6.9700764140        4.0357497432        4.5357173298
 Pt         9.7669198423        4.0178365953        4.5324595938
 Pt        12.5787403295        4.0262812629        4.5374442225
 Pt        15.3505366039        4.0397743061        4.5344744370
 Pt         2.7851512372        6.4590970175        4.5352167650
 Pt         5.5738327217        6.4368799133        4.5371607282
 Pt         8.3635192238        6.4356880201        4.4966431404
 Pt        11.1854400754        6.4428250179        4.4957323120
 Pt        13.9600105261        6.4364230385        4.5360611634
 Pt        16.7644340851        6.4497555236        4.5352321478
 Pt         4.2008073028        8.8662850620        4.5362407663
 Pt         6.9723686009        8.8764507600        4.5318644181
 Pt         9.7673172351        8.8833834068        4.4966755941
 Pt        12.5771550226        8.8677720827        4.5323941391
 Pt        15.3487835975        8.8761993994        4.5356567947
 Pt        18.1423045126        8.8558646649        4.5368766838
 Pt         5.5785188620       11.2722540640        4.5364169880
 Pt         8.3859335356       11.2895726588        4.5354740597
 Pt        11.1636640452       11.2977797015        4.5370111236
 Pt        13.9545147301       11.2726901618        4.5356701269
 Pt        16.7654262158       11.2850497078        4.5367549588
 Pt        19.5366621641       11.2941124476        4.5356207339
 Pt         6.9723505471       13.7115834243        4.5350292713
 Pt         9.7663340196       13.6916644319        4.5349768068
 Pt        12.5775733866       13.7015164358        4.5358204884
 Pt        15.3507685072       13.7114309701        4.5362337823
 Pt        18.1428489978       13.6896122303        4.5367968768
 Pt        20.9516195714       13.7019628469        4.5368960508
 Pt         0.0003693432       -0.0006994759        6.8031571366
 Pt         2.7938852186       -0.0007184754        6.7626978188
 Pt         5.5845716859        0.0007357098        6.8959274662
 Pt         8.3767383611        0.0010585008        6.8032484249
 Pt        11.1692272284        0.0012951201        6.7628506191
 Pt        13.9637273597        0.0007034135        6.8963480732
 Pt         1.3981159065        2.4178351182        6.8988241135
 Pt         4.1886328944        2.4181966224        6.8028019082
 Pt         6.9813480113        2.4175026984        6.7658441388
 Pt         9.7741228968        2.4219687130        6.8863252557
 Pt        12.5644904720        2.4180502692        6.8071820168
 Pt        15.3569559243        2.4183687257        6.7625722022
 Pt         2.7943661304        4.8363417060        6.7626221825
 Pt         5.5864194212        4.8364765339        6.8900212324
 Pt         8.3763906367        4.8382091631        6.7989057994
 Pt        11.1692036649        4.8394369887        6.7629416459
 Pt        13.9604952739        4.8358384600        6.8882231376
 Pt        16.7514991852        4.8360981574        6.8027589451
 Pt         4.1882043992        7.2535616231        6.8070510678
 Pt         6.9859160198        7.2522265629        6.7620010338
 Pt         9.7738126859        7.2536597436        6.7249856344
 Pt        12.5621356339        7.2523285054        6.7977357361
 Pt        15.3584486902        7.2535850389        6.7659765724
 Pt        18.1501291982        7.2518731973        6.8965279609
 Pt         5.5891818075        9.6692577684        6.8887048059
 Pt         8.3786159195        9.6705583137        6.7984437568
 Pt        11.1668872265        9.6699443489        6.7632603829
 Pt        13.9578546188        9.6699064781        6.8872496975
 Pt        16.7508916399        9.6716144911        6.8037222037
 Pt        19.5470766128        9.6717883864        6.7628000236
 Pt         6.9818344521       12.0903937946        6.7658320593
 Pt         9.7742732739       12.0886031344        6.8873710852
 Pt        12.5639481979       12.0897722141        6.8071704006
 Pt        15.3569267207       12.0885460797        6.7627575502
 Pt        18.1500793783       12.0895796511        6.8998822666
 Pt        20.9408325407       12.0887076114        6.8033248352
  O         1.3509233189        2.4149604790        9.5017183076
  H         1.8784354452        3.2103064649        9.7977702110
  H         1.8770378334        1.6285131460        9.7968377445
  O         2.7287003951        4.8360221643        9.9226508443
  H         2.8085697902        4.8358862343        8.9371304473
  H         3.7090107190        4.8354816591       10.1328932568
  O         5.5363439946        4.8293758114        9.5089118966
  H         6.0632598165        5.6255406292        9.8006121065
  H         6.0643202758        4.0448583268        9.7979540957
  O         6.9181339927        2.4254982596        9.9206499154
  H         6.9968243104        2.4185372899        8.9380459983
  H         7.9024655789        2.4161350128       10.1335628129
  O         5.5377429849       -0.0003069236        9.5020268603
  H         6.0656006263        0.7913570895        9.7976450109
  H         6.0662172958       -0.7913346753        9.7972550374
  O         2.7325076365       -0.0007679173        9.9189445636
  H         2.8093519606        0.0000004952        8.9390997707
  H         3.7190888806        0.0002885048       10.1342777806
  O         5.5338049060        9.6771743995        9.5089435254
  H         6.0646852212       10.4639492370        9.7985293882
  H         6.0630284704        8.8824116186        9.8003822597
  O         6.9192746587       12.0918068078        9.9208901163
  H         6.9968837709       12.0894999322        8.9379057046
  H         7.9026571074       12.0917588723       10.1335364487
  O         9.7241648604       12.0985732224        9.5117322465
  H        10.2533597695       12.8804906944        9.7987756805
  H        10.2518081650       11.3010285495        9.8028960388
  O        11.0991603573        9.6077143270        9.9143989158
  H        11.1856772797        9.6858669057        8.9236783983
  H        12.0781718538        9.6574293065       10.1316849336
  O         9.7761576361        7.2512825051        9.7516669518
  H         9.7228718332        7.2540665450        8.4934743976
  H        10.3221287198        8.0969039370        9.8971324782
  H        10.3215449159        6.4118540891        9.8971384187
  O         6.8956960320        7.2491997879        9.9109471499
  H         6.9915700004        7.2536849664        8.9334089477
  H         7.8798296666        7.2537644507       10.1711312445
  O         9.7243966385        2.4149188679        9.5115557188
  H        10.2498360124        3.2028821188        9.8013500490
  H        10.2549404077        1.6241195790        9.7996757229
  O        11.1019630501        4.8898584918        9.9150835765
  H        11.1874553133        4.8214818198        8.9235372878
  H        12.0824917878        4.8492382816       10.1312920855
  O        13.8997602941        4.8352450326        9.5246569806
  H        14.4411731740        5.6261792543        9.7986560581
  H        14.4405307148        4.0444792512        9.7990905485
  O        15.2947555534        2.4147910790        9.9206961312
  H        15.3728597136        2.4180000767        8.9377621609
  H        16.2777188582        2.4179656008       10.1335639520
  O        13.9152690215        0.0007119016        9.5024414850
  H        14.4414338674        0.7901698587        9.7967451504
  H        14.4411983027       -0.7905188089        9.7970470811
  O        11.1051429590        0.0013904634        9.9228155597
  H        11.1843425595       -0.0001005820        8.9366661876
  H        12.0850158354       -0.0003454102       10.1326849727
  O        13.9085474175        9.6728489357        9.5230158893
  H        14.4410107865       10.4625750053        9.7990631834
  H        14.4418973059        8.8819346030        9.7984762452
  O        15.2942506198       12.0831962916        9.9206815958
  H        15.3728010737       12.0896604619        8.9377914115
  H        16.2775048797       12.0892534297       10.1335524529
  O        18.1028369261       12.0866799006        9.5019012357
  H        18.6303383969       12.8818852044        9.7978383667
  H        18.6291279084       11.3000708153        9.7968349735
  O        19.4836430185        9.6717697954        9.9185872637
  H        19.5615418574        9.6716551853        8.9395931260
  H        20.4714505138        9.6721533291       10.1345715119
  O        18.1024760010        7.2566628986        9.5018826110
  H        18.6288127114        8.0433973437        9.7966794164
  H        18.6303740127        6.4615126089        9.7975826534
  O        15.2944951788        7.2588706249        9.9208134399
  H        15.3724995412        7.2541018734        8.9376646465
  H        16.2775613624        7.2539937231       10.1335818384
     217
 i =        6, E =    -17723.0056124019
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0122864501        1.6130658730        4.5366937145
 Pt         2.7853913482        1.6213971419        4.5357742734
 Pt         5.5792219610        1.6002191755        4.5357963204
 Pt         8.3886057984        1.6131378991        4.5355001097
 Pt        11.1610499244        1.6219762289        4.5354413245
 Pt        13.9537593858        1.6003524196        4.5355904888
 Pt         1.3912915096        4.0188790292        4.5367551321
 Pt         4.1994877014        4.0303796132        4.5349791650
 Pt         6.9695072579        4.0351678212        4.5356757960
 Pt         9.7669934643        4.0177549649        4.5322290655
 Pt        12.5791553159        4.0257740922        4.5372877173
 Pt        15.3507459482        4.0395689726        4.5343899074
 Pt         2.7848121358        6.4590662255        4.5353241490
 Pt         5.5733150289        6.4367538317        4.5372584892
 Pt         8.3648301439        6.4366164289        4.4976219544
 Pt        11.1840441109        6.4434258913        4.4968374696
 Pt        13.9609094876        6.4362941540        4.5358719380
 Pt        16.7645895755        6.4498949392        4.5353532037
 Pt         4.2006760543        8.8663456320        4.5361882083
 Pt         6.9722263988        8.8764636250        4.5317215654
 Pt         9.7676189685        8.8818159746        4.4977162376
 Pt        12.5771772745        8.8679020511        4.5321267064
 Pt        15.3488058015        8.8761828386        4.5356634360
 Pt        18.1424317742        8.8559132752        4.5368405644
 Pt         5.5785340681       11.2723281875        4.5363702422
 Pt         8.3856042335       11.2903550664        4.5353884807
 Pt        11.1637830723       11.2983719644        4.5369562962
 Pt        13.9547634811       11.2728070827        4.5357208886
 Pt        16.7654228630       11.2851306195        4.5368088218
 Pt        19.5366113265       11.2939922713        4.5358329161
 Pt         6.9721079107       13.7116996948        4.5351030819
 Pt         9.7664835481       13.6919392864        4.5348314715
 Pt        12.5777047663       13.7016901513        4.5358658924
 Pt        15.3508201537       13.7113393599        4.5362073526
 Pt        18.1430503673       13.6895587318        4.5368729133
 Pt        20.9515368487       13.7020502271        4.5368195742
 Pt         0.0005167294       -0.0007697830        6.8018979822
 Pt         2.7939726620       -0.0007471907        6.7621746618
 Pt         5.5845056448        0.0006881143        6.8943013645
 Pt         8.3768572108        0.0011544305        6.8021764034
 Pt        11.1693374150        0.0013902861        6.7627007055
 Pt        13.9636737524        0.0007459868        6.8947536983
 Pt         1.3980985626        2.4178102292        6.8971513447
 Pt         4.1887820000        2.4182261101        6.8016858561
 Pt         6.9815153534        2.4175424678        6.7655026939
 Pt         9.7740836703        2.4218528360        6.8846357804
 Pt        12.5644796884        2.4181223117        6.8063407947
 Pt        15.3569476883        2.4184072545        6.7622062095
 Pt         2.7944313396        4.8363763569        6.7624260120
 Pt         5.5862428468        4.8363382524        6.8886374590
 Pt         8.3765604683        4.8384283743        6.7965045527
 Pt        11.1692853899        4.8396351534        6.7610874435
 Pt        13.9605220085        4.8358007128        6.8866297520
 Pt        16.7515024796        4.8361181147        6.8016620172
 Pt         4.1884957174        7.2536289522        6.8061681393
 Pt         6.9862254815        7.2520641185        6.7600124899
 Pt         9.7731302940        7.2536853507        6.7333957967
 Pt        12.5619435808        7.2522539937        6.7952326786
 Pt        15.3583881560        7.2536670924        6.7656856570
 Pt        18.1501499475        7.2518891827        6.8949372679
 Pt         5.5890706063        9.6693231482        6.8871775127
 Pt         8.3789789088        9.6704159354        6.7961112076
 Pt        11.1667309228        9.6698894473        6.7615205253
 Pt        13.9578801092        9.6699221873        6.8857177074
 Pt        16.7508960624        9.6715311584        6.8025413746
 Pt        19.5471754693        9.6717080267        6.7622973369
 Pt         6.9818611957       12.0902768308        6.7655140168
 Pt         9.7741963312       12.0888026426        6.8856574825
 Pt        12.5640682385       12.0895904466        6.8063437195
 Pt        15.3568618096       12.0885519914        6.7624261654
 Pt        18.1500563338       12.0895517250        6.8982935249
 Pt        20.9410630637       12.0886672753        6.8022766092
  O         1.3504433688        2.4186793309        9.5002082498
  H         1.8776410115        3.2099334299        9.7962143676
  H         1.8783541352        1.6257012279        9.7964196341
  O         2.7346917096        4.8359897996        9.9283684296
  H         2.8056815624        4.8358805078        8.9294547028
  H         3.7044196144        4.8354008010       10.1336699409
  O         5.5357019954        4.8343704718        9.5079642821
  H         6.0620707298        5.6249044039        9.7990971307
  H         6.0663983802        4.0408045994        9.7981520257
  O         6.9276613880        2.4262308414        9.9290541995
  H         6.9942185473        2.4186850125        8.9288494089
  H         7.8957931512        2.4162951928       10.1336352304
  O         5.5372226608       -0.0001313896        9.5010696567
  H         6.0653594188        0.7920311249        9.7964168390
  H         6.0660969942       -0.7921229975        9.7960653388
  O         2.7437852601       -0.0006333301        9.9294355135
  H         2.8070926261       -0.0000108335        8.9284382396
  H         3.7115009009        0.0003028443       10.1337965060
  O         5.5328493771        9.6740544724        9.5089636849
  H         6.0653810890       10.4663330252        9.7980409144
  H         6.0614481108        8.8832058125        9.7987276933
  O         6.9280700946       12.0925949026        9.9290277319
  H         6.9943104745       12.0894827905        8.9288601078
  H         7.8964588836       12.0920326716       10.1336823834
  O         9.7239777214       12.0905829517        9.5120411027
  H        10.2560907493       12.8854234170        9.7993946367
  H        10.2489907017       11.3039022783        9.8011067257
  O        11.1057486913        9.6069531391        9.9179349535
  H        11.1824420537        9.6855512435        8.9179223240
  H        12.0750228472        9.6550351358       10.1326345257
  O         9.7729150028        7.2533554089        9.7488527305
  H         9.7213445627        7.2539195766        8.4963660932
  H        10.3272680669        8.0969010184        9.9020939961
  H        10.3277275210        6.4098792788        9.9023645533
  O         6.9126676397        7.2495253908        9.9262242026
  H         6.9897614395        7.2536506839        8.9214364305
  H         7.8631772406        7.2535063408       10.1698777542
  O         9.7234665469        2.4143420842        9.5115530060
  H        10.2496092192        3.2038661615        9.8008911630
  H        10.2553855898        1.6225735032        9.7990790911
  O        11.1074333746        4.8923671753        9.9185160421
  H        11.1843212017        4.8215966280        8.9181512919
  H        12.0789016427        4.8512357256       10.1320024155
  O        13.8991557449        4.8353791140        9.5271719742
  H        14.4403208285        5.6265145050        9.7978780176
  H        14.4398385777        4.0439407866        9.7983849253
  O        15.3033527489        2.4140830939        9.9285466142
  H        15.3702651263        2.4179809788        8.9287876516
  H        16.2717183211        2.4178094620       10.1337591793
  O        13.9146210484        0.0000350545        9.5003987184
  H        14.4423449016        0.7922391339        9.7961086469
  H        14.4416962144       -0.7919891697        9.7961821141
  O        11.1110992990        0.0010907412        9.9282641620
  H        11.1814151448       -0.0000950892        8.9291927079
  H        12.0805142282       -0.0003350862       10.1334895026
  O        13.9067214161        9.6723487162        9.5235862969
  H        14.4423212309       10.4650551153        9.7991703811
  H        14.4427746627        8.8800492510        9.7983899007
  O        15.3030884898       12.0823869599        9.9285889948
  H        15.3701885862       12.0895695956        8.9287880371
  H        16.2713619608       12.0889735770       10.1337437539
  O        18.1023659540       12.0904070616        9.5004225097
  H        18.6295343905       12.8814922849        9.7962916771
  H        18.6304380908       11.2972296683        9.7964129255
  O        19.4952219808        9.6717694655        9.9296313480
  H        19.5593227381        9.6716529110        8.9285666170
  H        20.4634169315        9.6722221497       10.1339793398
  O        18.1021075896        7.2529896471        9.5003173435
  H        18.6300760502        8.0461886651        9.7962124655
  H        18.6295805609        6.4618733044        9.7960228540
  O        15.3031299102        7.2596206927        9.9286394429
  H        15.3698706980        7.2541728233        8.9287413478
  H        16.2715518351        7.2542163815       10.1337688413
     217
 i =        7, E =    -17723.0066481533
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0119956864        1.6131150186        4.5371657388
 Pt         2.7855093204        1.6210917520        4.5363959603
 Pt         5.5793547116        1.6003102873        4.5363197006
 Pt         8.3882080143        1.6130611198        4.5359717454
 Pt        11.1611906808        1.6215423594        4.5359312415
 Pt        13.9540817570        1.6004689758        4.5362465652
 Pt         1.3915761678        4.0191010510        4.5372458777
 Pt         4.1989619023        4.0303447420        4.5354108386
 Pt         6.9693190944        4.0346268635        4.5361118789
 Pt         9.7671599260        4.0179882820        4.5325865211
 Pt        12.5791128549        4.0254849511        4.5375733236
 Pt        15.3510898176        4.0391548935        4.5348549832
 Pt         2.7847038391        6.4587677414        4.5359364654
 Pt         5.5731731223        6.4369214419        4.5377568886
 Pt         8.3662720103        6.4376712164        4.4999640340
 Pt        11.1824382863        6.4440908053        4.4993440974
 Pt        13.9615707104        6.4364666337        4.5361765121
 Pt        16.7644358290        6.4499455046        4.5359604395
 Pt         4.2002548885        8.8663596543        4.5366165047
 Pt         6.9723204836        8.8762405087        4.5321550032
 Pt         9.7679560962        8.8800562520        4.5001348596
 Pt        12.5768771453        8.8679475654        4.5324518237
 Pt        15.3490188245        8.8759284251        4.5361623316
 Pt        18.1426564988        8.8562044066        4.5372856774
 Pt         5.5786643798       11.2726797118        4.5368182760
 Pt         8.3851293286       11.2907737927        4.5357733325
 Pt        11.1639756938       11.2984675868        4.5373421680
 Pt        13.9550885284       11.2731861553        4.5362621035
 Pt        16.7651053061       11.2851568258        4.5373129039
 Pt        19.5367633764       11.2936567942        4.5364874761
 Pt         6.9720976798       13.7115810393        4.5356831384
 Pt         9.7667233320       13.6924242411        4.5352408495
 Pt        12.5775020991       13.7018302835        4.5364008079
 Pt        15.3510199565       13.7110254043        4.5366739287
 Pt        18.1433384753       13.6898201119        4.5374013075
 Pt        20.9511727492       13.7020959840        4.5372320302
 Pt         0.0006340803       -0.0008151219        6.8017443282
 Pt         2.7939923140       -0.0007665492        6.7641368161
 Pt         5.5844547889        0.0006245149        6.8916853907
 Pt         8.3769345604        0.0012076152        6.8021509222
 Pt        11.1693969957        0.0014339553        6.7647171932
 Pt        13.9635276913        0.0007603792        6.8921811302
 Pt         1.3980414678        2.4178103277        6.8944077117
 Pt         4.1888960204        2.4182462499        6.8016406614
 Pt         6.9815989622        2.4175675934        6.7674031158
 Pt         9.7740088850        2.4216534290        6.8821802485
 Pt        12.5644684430        2.4181770748        6.8063947750
 Pt        15.3569024879        2.4184344395        6.7641698269
 Pt         2.7944219640        4.8363939818        6.7644097429
 Pt         5.5860409508        4.8362256942        6.8863691583
 Pt         8.3766984970        4.8385823758        6.7954948278
 Pt        11.1693181897        4.8397383413        6.7616391268
 Pt        13.9605280921        4.8357761755        6.8840966075
 Pt        16.7515097738        4.8361303937        6.8016232297
 Pt         4.1887168661        7.2536893018        6.8061747244
 Pt         6.9863327465        7.2519539157        6.7609554351
 Pt         9.7725830173        7.2536971698        6.7421931029
 Pt        12.5617822398        7.2522110113        6.7941560649
 Pt        15.3582749268        7.2537326812        6.7675955238
 Pt        18.1501256919        7.2519464928        6.8923706614
 Pt         5.5888596648        9.6694273294        6.8848031548
 Pt         8.3792389961        9.6703200132        6.7951402866
 Pt        11.1665902339        9.6698634143        6.7621252341
 Pt        13.9579519586        9.6699817505        6.8833774017
 Pt        16.7509277048        9.6714622840        6.8024460270
 Pt        19.5471686538        9.6716321906        6.7642917080
 Pt         6.9818186655       12.0901738956        6.7674197792
 Pt         9.7740882789       12.0889584377        6.8831566015
 Pt        12.5641786282       12.0894511185        6.8064030803
 Pt        15.3567767998       12.0885876743        6.7644225757
 Pt        18.1499959394       12.0895471289        6.8955962978
 Pt        20.9412363038       12.0886675335        6.8022799398
  O         1.3515531458        2.4185401677        9.4991674508
  H         1.8772201974        3.2108548328        9.7957954565
  H         1.8775984861        1.6253891309        9.7958113074
  O         2.7361225228        4.8359231863        9.9260947637
  H         2.8026203896        4.8358803717        8.9265344858
  H         3.7049863951        4.8353859769       10.1365079953
  O         5.5373882790        4.8336645861        9.5073896711
  H         6.0616857810        5.6259912985        9.7988755610
  H         6.0657300111        4.0403733123        9.7977362964
  O         6.9293351352        2.4269742510        9.9266560680
  H         6.9913333603        2.4188339769        8.9261392854
  H         7.8969270833        2.4164525395       10.1364534975
  O         5.5379837633       -0.0001082077        9.5002374188
  H         6.0645975842        0.7925039464        9.7958506695
  H         6.0653436588       -0.7925795268        9.7954904784
  O         2.7459351681       -0.0006069269        9.9267630444
  H         2.8043932925       -0.0000103112        8.9258866211
  H         3.7129118269        0.0002972764       10.1364527504
  O         5.5333093219        9.6744395973        9.5087914417
  H         6.0644359675       10.4666697692        9.7975588433
  H         6.0605825931        8.8825692720        9.7983186436
  O         6.9298506149       12.0933133403        9.9266762655
  H         6.9914467291       12.0895000537        8.9261461118
  H         7.8974936146       12.0921408114       10.1364591776
  O         9.7249574710       12.0913488461        9.5122179042
  H        10.2553069929       12.8855973244        9.7990223192
  H        10.2484983693       11.3026485150        9.8012806985
  O        11.1089144951        9.6076011245        9.9164466029
  H        11.1792386037        9.6846663627        8.9149701929
  H        12.0764664303        9.6534891849       10.1354386412
  O         9.7734476464        7.2533301641        9.7418862833
  H         9.7212938711        7.2538636548        8.5001295474
  H        10.3284924437        8.0950578709        9.9040463249
  H        10.3288695400        6.4115837324        9.9043114480
  O         6.9142229786        7.2491536029        9.9232454933
  H         6.9873878082        7.2535827078        8.9200368098
  H         7.8638465996        7.2533851455       10.1730371124
  O         9.7243472256        2.4139254550        9.5116469871
  H        10.2485996510        3.2043653465        9.8007343919
  H        10.2549717350        1.6216404504        9.7988933474
  O        11.1090304634        4.8932068126        9.9171347362
  H        11.1811021976        4.8223236038        8.9152261065
  H        12.0795213126        4.8525586111       10.1346189625
  O        13.8993710210        4.8353289111        9.5288445946
  H        14.4394002469        5.6271769785        9.7979461333
  H        14.4389501891        4.0432994690        9.7984537616
  O        15.3051614900        2.4133416801        9.9261279122
  H        15.3673884896        2.4179440843        8.9260352460
  H        16.2727428140        2.4177099703       10.1365195444
  O        13.9162898268        0.0001320139        9.4991534677
  H        14.4418948036        0.7929913118        9.7956495399
  H        14.4412898817       -0.7928286986        9.7957477881
  O        11.1124876658        0.0009613812        9.9260161182
  H        11.1783537687       -0.0000975677        8.9262108967
  H        12.0811355228       -0.0003235777       10.1363342616
  O        13.9078075535        9.6724734053        9.5244083783
  H        14.4420964910       10.4659937871        9.7993450356
  H        14.4425281589        8.8790591256        9.7985896503
  O        15.3048499930       12.0816447866        9.9261625531
  H        15.3672993670       12.0894454859        8.9260356780
  H        16.2724228866       12.0887943031       10.1365318684
  O        18.1034739598       12.0902922958        9.4993877777
  H        18.6291016448       12.8823763757        9.7958770629
  H        18.6297006563       11.2968625813        9.7958139229
  O        19.4975292727        9.6717887578        9.9269071559
  H        19.5566070457        9.6716512164        8.9261374952
  H        20.4646860756        9.6722457256       10.1366123257
  O        18.1032820626        7.2531017353        9.4991743533
  H        18.6293450767        8.0465551260        9.7955982086
  H        18.6291713157        6.4609551388        9.7956063467
  O        15.3049690080        7.2603539056        9.9262604673
  H        15.3669771420        7.2542626189        8.9259941871
  H        16.2725742559        7.2543564067       10.1365184797
     217
 i =        8, E =    -17723.0096543672
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0129998043        1.6137963286        4.5342589930
 Pt         2.7847684631        1.6212328969        4.5341266527
 Pt         5.5791210529        1.5980024335        4.5336523896
 Pt         8.3885384716        1.6128433153        4.5325802672
 Pt        11.1605213217        1.6210060776        4.5328606791
 Pt        13.9548093056        1.5984064120        4.5342598511
 Pt         1.3923947310        4.0179875298        4.5345388921
 Pt         4.1980799495        4.0301743457        4.5319630515
 Pt         6.9658214703        4.0330056879        4.5324807121
 Pt         9.7670091351        4.0163694820        4.5273673351
 Pt        12.5822322539        4.0231504377        4.5331271119
 Pt        15.3523331581        4.0385474631        4.5314003390
 Pt         2.7822345912        6.4594548372        4.5337270243
 Pt         5.5704051786        6.4352812935        4.5348065929
 Pt         8.3723747620        6.4415458396        4.4995064009
 Pt        11.1762818647        6.4472958290        4.4996295236
 Pt        13.9655351497        6.4347435913        4.5317022682
 Pt        16.7665516186        6.4508382969        4.5335930188
 Pt         4.2004236601        8.8666208282        4.5333020251
 Pt         6.9709959744        8.8773136183        4.5274904740
 Pt         9.7688780809        8.8729932326        4.5001167203
 Pt        12.5782897294        8.8688576932        4.5270357099
 Pt        15.3487302805        8.8767234869        4.5331495837
 Pt        18.1428825825        8.8558344242        4.5343420417
 Pt         5.5782424314       11.2723177385        4.5336753045
 Pt         8.3847104785       11.2945248462        4.5315472215
 Pt        11.1639109355       11.3021390241        4.5335794609
 Pt        13.9560520756       11.2731172459        4.5334831891
 Pt        16.7662735343       11.2857814553        4.5345954766
 Pt        19.5360133139       11.2938217968        4.5344246240
 Pt         6.9700467481       13.7132414339        4.5331521523
 Pt         9.7670486882       13.6934993602        4.5314978251
 Pt        12.5794780369       13.7028757544        4.5337951262
 Pt        15.3512212642       13.7111266390        4.5337463510
 Pt        18.1441484653       13.6886204199        4.5349064161
 Pt        20.9514419515       13.7024806529        4.5341247494
 Pt         0.0015348565       -0.0012874842        6.7914826770
 Pt         2.7945125285       -0.0011859087        6.7585983220
 Pt         5.5843674982        0.0003327303        6.8878665204
 Pt         8.3776685810        0.0017838360        6.7928233551
 Pt        11.1701249516        0.0020095308        6.7597831757
 Pt        13.9634032653        0.0010125296        6.8893504074
 Pt         1.3982320969        2.4177386559        6.8904837614
 Pt         4.1898714981        2.4184403657        6.7920390465
 Pt         6.9824470995        2.4174637528        6.7620637666
 Pt         9.7739702840        2.4214651367        6.8766232887
 Pt        12.5645628701        2.4185482029        6.7983741826
 Pt        15.3568009243        2.4188148800        6.7587802267
 Pt         2.7949461971        4.8366242307        6.7591311399
 Pt         5.5854071836        4.8355434587        6.8836091999
 Pt         8.3776150871        4.8401745627        6.7783190344
 Pt        11.1698301029        4.8411984821        6.7474192600
 Pt        13.9606257608        4.8356393286        6.8781339398
 Pt        16.7513803440        4.8362603782        6.7920831947
 Pt         4.1901769202        7.2540707781        6.7978359530
 Pt         6.9883604875        7.2507685036        6.7482425647
 Pt         9.7696438931        7.2536396759        6.7754354493
 Pt        12.5601006480        7.2514839552        6.7760444816
 Pt        15.3580963083        7.2540615174        6.7624487684
 Pt        18.1505471203        7.2519891640        6.8894542264
 Pt         5.5888046024        9.6694807057        6.8804087578
 Pt         8.3816781080        9.6694972107        6.7780616588
 Pt        11.1652768653        9.6692545848        6.7482107405
 Pt        13.9577776978        9.6699073735        6.8791839809
 Pt        16.7508718416        9.6709586028        6.7928321605
 Pt        19.5477726436        9.6710706890        6.7590364557
 Pt         6.9819104768       12.0896727433        6.7621431769
 Pt         9.7740247945       12.0896988736        6.8776755565
 Pt        12.5649667699       12.0885914576        6.7984212788
 Pt        15.3564084366       12.0886211808        6.7593677039
 Pt        18.1501431093       12.0893880594        6.8922475514
 Pt        20.9426427641       12.0884469059        6.7932062285
  O         1.3548847636        2.4205100005        9.4899797958
  H         1.8777088961        3.2119516183        9.7849910538
  H         1.8780112926        1.6254713049        9.7848692589
  O         2.7364339885        4.8356854042        9.9189799604
  H         2.7861330231        4.8358560826        8.9205420523
  H         3.7043195881        4.8350366960       10.1393200790
  O         5.5407624478        4.8361215006        9.5025840902
  H         6.0611824775        5.6261003230        9.7901865189
  H         6.0690550489        4.0363896952        9.7899653360
  O         6.9333128583        2.4347981267        9.9199444632
  H         6.9765165845        2.4203029609        8.9208623205
  H         7.9000857307        2.4173200544       10.1386763150
  O         5.5387646255       -0.0002115763        9.4925595419
  H         6.0638189721        0.7927443341        9.7849179695
  H         6.0646552785       -0.7924697429        9.7843396719
  O         2.7528586146       -0.0003661127        9.9193822769
  H         2.7915289952       -0.0000229158        8.9202224978
  H         3.7202010736        0.0003686671       10.1375222723
  O         5.5297323487        9.6744318198        9.5082720977
  H         6.0634472604       10.4682555588        9.7885801416
  H         6.0569442229        8.8836805509        9.7888248274
  O         6.9338960363       12.0997765704        9.9198033450
  H         6.9768181076       12.0896989502        8.9209612805
  H         7.9013561051       12.0939050193       10.1386939584
  O         9.7258798495       12.0889603512        9.5156782460
  H        10.2582507861       12.8882675937        9.7922717196
  H        10.2460671682       11.3030846818        9.7960310067
  O        11.1166778453        9.5928578427        9.9093025051
  H        11.1622771375        9.6810183068        8.9089878812
  H        12.0871010824        9.6385210763       10.1381873104
  O         9.7966791874        7.2536136437        9.7435594722
  H         9.7080711897        7.2534986070        8.5394194140
  H        10.3561148452        8.0875948562        9.9355080097
  H        10.3562132017        6.4175597375        9.9357605023
  O         6.9112829376        7.2437662398        9.9197368336
  H         6.9761524108        7.2529949439        8.9149383343
  H         7.8569187562        7.2523013756       10.1881168381
  O         9.7238203231        2.4100812059        9.5142235954
  H        10.2450142927        3.2027077830        9.7945367946
  H        10.2575692443        1.6174957441        9.7918946115
  O        11.1082081981        4.9138293448        9.9098244236
  H        11.1631243819        4.8250853716        8.9104118266
  H        12.0804416737        4.8663858983       10.1359420059
  O        13.8896490515        4.8353153887        9.5486511745
  H        14.4376315919        5.6284379711        9.7931495432
  H        14.4374572655        4.0414325436        9.7939840159
  O        15.3091784402        2.4064629918        9.9190035226
  H        15.3526954476        2.4175671668        8.9203295953
  H        16.2761612608        2.4166966730       10.1385333427
  O        13.9216596396       -0.0002186132        9.4881810922
  H        14.4440111079        0.7946302180        9.7852338854
  H        14.4429403997       -0.7941101789        9.7851898117
  O        11.1133238641        0.0005134400        9.9187560907
  H        11.1617730101       -0.0001552193        8.9201036192
  H        12.0803446681       -0.0003753324       10.1390029911
  O        13.9090246518        9.6722582360        9.5376337913
  H        14.4454252819       10.4686258662        9.7949897028
  H        14.4453351451        8.8774937826        9.7937995373
  O        15.3086407774       12.0739519903        9.9191635579
  H        15.3524763913       12.0883142006        8.9202728668
  H        16.2755405452       12.0870378787       10.1386319214
  O        18.1068087082       12.0916703512        9.4903232915
  H        18.6296888462       12.8834660107        9.7852460301
  H        18.6300116044       11.2969027719        9.7848005233
  O        19.5033411645        9.6718486482        9.9196678456
  H        19.5437946233        9.6716117683        8.9205955996
  H        20.4727424851        9.6726048646       10.1379328121
  O        18.1070883047        7.2514235635        9.4893499087
  H        18.6296502712        8.0465063661        9.7844184714
  H        18.6298202131        6.4597717317        9.7848008957
  O        15.3087428723        7.2677535384        9.9191693502
  H        15.3520310365        7.2551544638        8.9204363138
  H        16.2761788438        7.2557281653       10.1385142987
     217
 i =        9, E =    -17723.0105547684
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0132917060        1.6141118075        4.5322866713
 Pt         2.7845968603        1.6211753794        4.5323599586
 Pt         5.5790946358        1.5970864604        4.5318614549
 Pt         8.3885209155        1.6126674167        4.5302373634
 Pt        11.1604290778        1.6206458494        4.5308050061
 Pt        13.9551941568        1.5975819402        4.5327772822
 Pt         1.3928305889        4.0176844464        4.5326826767
 Pt         4.1975146454        4.0300048404        4.5298434675
 Pt         6.9645727758        4.0326658161        4.5299967142
 Pt         9.7669883075        4.0156962215        4.5240502425
 Pt        12.5832352803        4.0225123140        4.5300595115
 Pt        15.3531370345        4.0380664012        4.5291575402
 Pt         2.7812993723        6.4596682506        4.5321691919
 Pt         5.5696927910        6.4346506689        4.5325534706
 Pt         8.3748740470        6.4430560708        4.4988149253
 Pt        11.1737953294        6.4486552759        4.4992766892
 Pt        13.9668918593        6.4340836816        4.5287188220
 Pt        16.7674413045        6.4512239251        4.5318918189
 Pt         4.2003133457        8.8666808613        4.5310770116
 Pt         6.9704555223        8.8776889908        4.5244889182
 Pt         9.7692095539        8.8701443509        4.4996422296
 Pt        12.5789013473        8.8692934266        4.5236337123
 Pt        15.3487854152        8.8769474578        4.5311181525
 Pt        18.1430569595        8.8558878515        4.5324676245
 Pt         5.5781084856       11.2723432681        4.5315672896
 Pt         8.3846934989       11.2957032111        4.5286176285
 Pt        11.1638011872       11.3032646582        4.5309089646
 Pt        13.9565361580       11.2732531117        4.5315495808
 Pt        16.7666927072       11.2860857586        4.5326808673
 Pt        19.5358079770       11.2937787405        4.5327336750
 Pt         6.9692215486       13.7138727279        4.5314316508
 Pt         9.7672459601       13.6942146579        4.5291771743
 Pt        12.5802554174       13.7033342218        4.5320037136
 Pt        15.3515372336       13.7109607376        4.5318330688
 Pt        18.1445993737       13.6882208226        4.5331039413
 Pt        20.9513857842       13.7025842401        4.5321704393
 Pt         0.0019340911       -0.0014963026        6.7867360586
 Pt         2.7948501023       -0.0014675172        6.7555428107
 Pt         5.5844312131        0.0001686514        6.8859936016
 Pt         8.3779846434        0.0020062734        6.7884337862
 Pt        11.1704509825        0.0022207430        6.7570781033
 Pt        13.9634141621        0.0010993184        6.8884740262
 Pt         1.3984010034        2.4177536117        6.8885554421
 Pt         4.1903271552        2.4185056688        6.7875370771
 Pt         6.9827858241        2.4173101490        6.7587870154
 Pt         9.7739497381        2.4214582915        6.8733319112
 Pt        12.5646425141        2.4187389646        6.7942204857
 Pt        15.3567278474        2.4190671250        6.7558101000
 Pt         2.7951723244        4.8367223009        6.7562562634
 Pt         5.5852101114        4.8352607538        6.8821913390
 Pt         8.3779960413        4.8409165011        6.7704858317
 Pt        11.1699501145        4.8418222857        6.7407842631
 Pt        13.9605294457        4.8356294601        6.8743179865
 Pt        16.7512764153        4.8363366838        6.7876170551
 Pt         4.1907204215        7.2542006242        6.7935368732
 Pt         6.9891231376        7.2504187295        6.7429293374
 Pt         9.7683235412        7.2536009503        6.7854395118
 Pt        12.5592006930        7.2511303491        6.7676507694
 Pt        15.3579768346        7.2541587742        6.7592510277
 Pt        18.1508166261        7.2520261854        6.8883578292
 Pt         5.5888815093        9.6694448654        6.8776212896
 Pt         8.3828325918        9.6691681381        6.7702503800
 Pt        11.1646261204        9.6689186867        6.7418052848
 Pt        13.9575531688        9.6698213586        6.8765780307
 Pt        16.7507978273        9.6707451454        6.7884894441
 Pt        19.5480849692        9.6707885638        6.7561436730
 Pt         6.9819554767       12.0894900355        6.7588412622
 Pt         9.7740502363       12.0899396464        6.8744819470
 Pt        12.5653384228       12.0882580743        6.7942926095
 Pt        15.3563023990       12.0885699881        6.7565940981
 Pt        18.1502893856       12.0893361437        6.8906414414
 Pt        20.9432375037       12.0884234972        6.7889787354
  O         1.3549508296        2.4185220438        9.4841541975
  H         1.8798798891        3.2142951330        9.7796818151
  H         1.8783815283        1.6266469529        9.7784993960
  O         2.7350822604        4.8355871141        9.9190455753
  H         2.7792372204        4.8358453318        8.9170072250
  H         3.7027065678        4.8349047515       10.1376480245
  O         5.5413551276        4.8275045123        9.4982736672
  H         6.0642292459        5.6298485297        9.7869724455
  H         6.0686141943        4.0393649942        9.7841060074
  O         6.9321077337        2.4390973754        9.9196985398
  H         6.9706705015        2.4212491520        8.9178838449
  H         7.9013307866        2.4180842224       10.1367665398
  O         5.5382832960        0.0001643855        9.4874779294
  H         6.0640004184        0.7929664648        9.7790141950
  H         6.0651591721       -0.7929300595        9.7784692837
  O         2.7540704378       -0.0004499042        9.9190151545
  H         2.7868684059       -0.0000006365        8.9172812639
  H         3.7225295840        0.0003767921       10.1345270039
  O         5.5267315173        9.6785791204        9.5068267547
  H         6.0622192358       10.4674871023        9.7834127007
  H         6.0567036391        8.8821415121        9.7847242057
  O         6.9339260970       12.1035022460        9.9199771913
  H         6.9710944646       12.0899674756        8.9178461440
  H         7.9021466578       12.0951075561       10.1365656581
  O         9.7240070260       12.0968071203        9.5168756673
  H        10.2582797751       12.8855905622        9.7878278589
  H        10.2489989831       11.2984490292        9.7955121962
  O        11.1230157457        9.5865739586        9.9116017386
  H        11.1553947432        9.6783162073        8.9059701442
  H        12.0882106185        9.6302019470       10.1346174493
  O         9.8098660397        7.2541753826        9.7543527409
  H         9.7031462406        7.2533683773        8.5635166065
  H        10.3714298005        8.0877473581        9.9499471940
  H        10.3707963071        6.4174616295        9.9499634201
  O         6.9081236245        7.2408572918        9.9152321804
  H         6.9719545794        7.2524785370        8.9167111302
  H         7.8525542454        7.2515682346       10.1943742551
  O         9.7221956095        2.4072258008        9.5152857813
  H        10.2437476474        3.2017702291        9.7917640826
  H        10.2596286199        1.6155513812        9.7884690983
  O        11.1097689307        4.9218003818        9.9117458506
  H        11.1546976420        4.8275295965        8.9069461806
  H        12.0776492093        4.8744294042       10.1330833102
  O        13.8854512971        4.8348280793        9.5573962139
  H        14.4367143984        5.6285571127        9.7914049385
  H        14.4361516666        4.0415642510        9.7923226606
  O        15.3091829442        2.4023760954        9.9188066535
  H        15.3469075698        2.4172517654        8.9171334145
  H        16.2767226483        2.4158733959       10.1362664038
  O        13.9227919050        0.0008069039        9.4818941362
  H        14.4455499673        0.7945090170        9.7790726192
  H        14.4449142362       -0.7948873276        9.7793469455
  O        11.1116460573        0.0004626851        9.9188532554
  H        11.1548915027       -0.0002189031        8.9162587827
  H        12.0792238675       -0.0004298803       10.1373383993
  O        13.9065959746        9.6734928598        9.5441533094
  H        14.4482831866       10.4696607476        9.7935412194
  H        14.4490308357        8.8756581069        9.7924747881
  O        15.3083902244       12.0699280873        9.9188029154
  H        15.3465930948       12.0874906238        8.9172313283
  H        16.2760673871       12.0857711640       10.1364576345
  O        18.1069114592       12.0904794438        9.4844509429
  H        18.6315738397       12.8852270441        9.7798479582
  H        18.6307212445       11.2974010049        9.7786041980
  O        19.5062070614        9.6718771947        9.9194829882
  H        19.5390483344        9.6715874346        8.9180713262
  H        20.4736752285        9.6727913505       10.1346989883
  O        18.1072697458        7.2528522936        9.4831851272
  H        18.6303079549        8.0458591717        9.7780735250
  H        18.6319303607        6.4576840370        9.7793782776
  O        15.3091931374        7.2717843418        9.9191318993
  H        15.3460753286        7.2558052010        8.9172720591
  H        16.2763285500        7.2567520064       10.1361173875
     217
 i =       10, E =    -17723.0114565022
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0135626742        1.6143596729        4.5302253059
 Pt         2.7844843259        1.6211668586        4.5303912329
 Pt         5.5790697837        1.5963601204        4.5299482483
 Pt         8.3885505299        1.6125049608        4.5277709927
 Pt        11.1604102322        1.6204152576        4.5286394997
 Pt        13.9554428271        1.5969059042        4.5310970022
 Pt         1.3931440661        4.0174434777        4.5307298148
 Pt         4.1971390704        4.0298344324        4.5276949304
 Pt         6.9637341012        4.0327017723        4.5274231868
 Pt         9.7669364840        4.0150837116        4.5207491788
 Pt        12.5839090779        4.0222247456        4.5269368600
 Pt        15.3538028016        4.0377014221        4.5268254629
 Pt         2.7806330251        6.4598971046        4.5304479681
 Pt         5.5693899047        6.4341158614        4.5301716547
 Pt         8.3764162348        6.4439243732        4.4973400130
 Pt        11.1723135033        6.4495615126        4.4979824319
 Pt        13.9676398328        6.4335493947        4.5256915782
 Pt        16.7682058206        6.4515233422        4.5300294669
 Pt         4.2002620639        8.8667052348        4.5287595797
 Pt         6.9699982313        8.8779885866        4.5214852517
 Pt         9.7693545228        8.8684191718        4.4982781728
 Pt        12.5794857106        8.8696570780        4.5202819037
 Pt        15.3488607921        8.8771605385        4.5289747803
 Pt        18.1431616000        8.8559330647        4.5305496235
 Pt         5.5779771934       11.2723503356        4.5293480636
 Pt         8.3848883213       11.2963461616        4.5256109058
 Pt        11.1636265426       11.3039679667        4.5281381757
 Pt        13.9568731905       11.2733319260        4.5294604866
 Pt        16.7671037412       11.2863369031        4.5306446300
 Pt        19.5356475850       11.2937947676        4.5308122433
 Pt         6.9685800209       13.7143886184        4.5295826176
 Pt         9.7673633805       13.6947700462        4.5268158006
 Pt        12.5809134514       13.7036587662        4.5300762778
 Pt        15.3518318398       13.7108220770        4.5298497517
 Pt        18.1449311222       13.6878615311        4.5311610408
 Pt        20.9513864246       13.7026314667        4.5302015840
 Pt         0.0022277216       -0.0016491471        6.7826892805
 Pt         2.7951502846       -0.0017350266        6.7522555955
 Pt         5.5845541485        0.0000333256        6.8851169610
 Pt         8.3782430331        0.0021550505        6.7846607429
 Pt        11.1707058408        0.0023663000        6.7541916681
 Pt        13.9634880902        0.0011665034        6.8886552021
 Pt         1.3985978659        2.4177592519        6.8876534823
 Pt         4.1906827340        2.4185363597        6.7836694648
 Pt         6.9830454268        2.4171434961        6.7551718111
 Pt         9.7739574910        2.4215225381        6.8708311726
 Pt        12.5647225543        2.4189088103        6.7904528470
 Pt        15.3566715553        2.4193072927        6.7526242355
 Pt         2.7953573554        4.8367978261        6.7532353928
 Pt         5.5851524053        4.8350182506        6.8814919611
 Pt         8.3782517576        4.8414909473        6.7642070588
 Pt        11.1699849978        4.8422663001        6.7353573576
 Pt        13.9603889371        4.8356477231        6.8712862409
 Pt        16.7511594631        4.8364132962        6.7837940758
 Pt         4.1910828225        7.2542640944        6.7897023261
 Pt         6.9896492328        7.2502232996        6.7382129213
 Pt         9.7673452175        7.2535535746        6.7899498904
 Pt        12.5584462962        7.2508540360        6.7608511238
 Pt        15.3578779421        7.2541996726        6.7557476880
 Pt        18.1510756810        7.2520683452        6.8882468967
 Pt         5.5890536994        9.6693827811        6.8755364388
 Pt         8.3837438434        9.6689454724        6.7639753200
 Pt        11.1641066198        9.6686269372        6.7365098323
 Pt        13.9572660377        9.6697116760        6.8747281924
 Pt        16.7507047845        9.6705948801        6.7848282333
 Pt        19.5483404594        9.6705726181        6.7530287729
 Pt         6.9820329823       12.0893779501        6.7552280082
 Pt         9.7741205624       12.0901203911        6.8721114811
 Pt        12.5656075054       12.0880280429        6.7905559306
 Pt        15.3562669041       12.0884917364        6.7535813732
 Pt        18.1504640863       12.0892786950        6.8900005327
 Pt        20.9436717139       12.0884209864        6.7853543987
  O         1.3553124084        2.4194938057        9.4796199933
  H         1.8809830244        3.2143354593        9.7741045221
  H         1.8797052725        1.6269649253        9.7729810778
  O         2.7322251644        4.8355926755        9.9184817842
  H         2.7742601629        4.8358267607        8.9163783958
  H         3.7011984581        4.8346792087       10.1343549704
  O         5.5414427643        4.8291513899        9.4939373868
  H         6.0643307733        5.6282437464        9.7823301371
  H         6.0710682281        4.0385639928        9.7800637251
  O         6.9307664899        2.4424019599        9.9194263881
  H         6.9666158308        2.4222395207        8.9176454183
  H         7.9009471784        2.4188250845       10.1329115454
  O         5.5379796530        0.0000481042        9.4831889571
  H         6.0644671785        0.7929999996        9.7736191237
  H         6.0656293678       -0.7927271310        9.7729650368
  O         2.7539730155       -0.0003848191        9.9186189112
  H         2.7839449549       -0.0000059714        8.9170473788
  H         3.7237359968        0.0004199810       10.1297899521
  O         5.5244717440        9.6783254367        9.5052724403
  H         6.0622787006       10.4680606969        9.7793095782
  H         6.0551941186        8.8832423836        9.7803063346
  O         6.9325433624       12.1069061860        9.9196040889
  H         6.9671887786       12.0902987003        8.9176431015
  H         7.9023377404       12.0964851765       10.1327325753
  O         9.7231995721       12.0952919705        9.5185486364
  H        10.2608920282       12.8862211583        9.7851052371
  H        10.2487725527       11.2997442715        9.7934221278
  O        11.1232745861        9.5810744212        9.9116619017
  H        11.1506882059        9.6754482219        8.9067749509
  H        12.0922066839        9.6231491128       10.1299351405
  O         9.8220376838        7.2540501706        9.7694374834
  H         9.6996080861        7.2533165713        8.5859200641
  H        10.3854551180        8.0897486513        9.9619406704
  H        10.3840330314        6.4157057717        9.9616889257
  O         6.9047180953        7.2381467170        9.9154289101
  H         6.9698379043        7.2519908362        8.9167892322
  H         7.8470960761        7.2507993113       10.1982106665
  O         9.7205717933        2.4051116799        9.5163366241
  H        10.2425832902        3.1999484838        9.7892417747
  H        10.2617913432        1.6141567688        9.7855092751
  O        11.1079163920        4.9286920105        9.9113867445
  H        11.1481121395        4.8302699949        8.9073012617
  H        12.0773700814        4.8815096709       10.1293162397
  O        13.8819260384        4.8350125172        9.5628614563
  H        14.4360709344        5.6281263951        9.7901424486
  H        14.4353774883        4.0417217457        9.7913213660
  O        15.3078163568        2.3987125927        9.9182748083
  H        15.3429442160        2.4168990756        8.9167593270
  H        16.2766485630        2.4149449100       10.1322781198
  O        13.9232047177        0.0005471275        9.4770380848
  H        14.4474686376        0.7942665646        9.7733971420
  H        14.4465850454       -0.7944634371        9.7735963628
  O        11.1089935807        0.0003892567        9.9182520058
  H        11.1499153045       -0.0002676733        8.9155233957
  H        12.0777604507       -0.0004993302       10.1339475070
  O        13.9051748240        9.6731586495        9.5497796915
  H        14.4509283511       10.4698766929        9.7923786965
  H        14.4517895762        8.8759160971        9.7910090525
  O        15.3069550855       12.0666912039        9.9183274889
  H        15.3425426326       12.0866132759        8.9168267105
  H        16.2758336163       12.0844846796       10.1325212313
  O        18.1073017210       12.0910343147        9.4798909464
  H        18.6327539894       12.8852615112        9.7743746847
  H        18.6319825701       11.2977096590        9.7730414007
  O        19.5056058463        9.6718554743        9.9190170235
  H        19.5361119692        9.6715684950        8.9180540294
  H        20.4751678868        9.6730214101       10.1300895257
  O        18.1078117962        7.2521333795        9.4785349986
  H        18.6316111929        8.0455532090        9.7724191868
  H        18.6331528271        6.4576022723        9.7737831745
  O        15.3077218426        7.2752689594        9.9185568558
  H        15.3419615314        7.2564800901        8.9169309307
  H        16.2763072630        7.2578373394       10.1321129088
     217
 i =       11, E =    -17723.0137153204
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0130664664        1.6148381516        4.5255031500
 Pt         2.7850544411        1.6203004456        4.5256138239
 Pt         5.5796076527        1.5960830031        4.5254249333
 Pt         8.3873566010        1.6117805478        4.5213071947
 Pt        11.1615370896        1.6188977403        4.5233153360
 Pt        13.9564477343        1.5965199875        4.5273149360
 Pt         1.3943705072        4.0181009618        4.5262550352
 Pt         4.1955253158        4.0293414004        4.5230070315
 Pt         6.9636274488        4.0334609081        4.5210099703
 Pt         9.7673680398        4.0147566500        4.5126598885
 Pt        12.5829733495        4.0229178508        4.5184387619
 Pt        15.3560553376        4.0358610582        4.5210142488
 Pt         2.7803797550        6.4594144405        4.5266340729
 Pt         5.5710836856        6.4340994510        4.5240523960
 Pt         8.3793047191        6.4457057790        4.4960658653
 Pt        11.1692903286        6.4511941476        4.4968630828
 Pt        13.9678643456        6.4337421698        4.5175469672
 Pt        16.7688135717        6.4519720504        4.5257782738
 Pt         4.1987865732        8.8665305867        4.5228568695
 Pt         6.9696484518        8.8773338195        4.5143291474
 Pt         9.7698090251        8.8651164189        4.4969773024
 Pt        12.5796549253        8.8705412617        4.5121819365
 Pt        15.3501628703        8.8766406379        4.5237434668
 Pt        18.1438670970        8.8570881058        4.5265014791
 Pt         5.5781960151       11.2736603934        4.5237010216
 Pt         8.3850400912       11.2958004527        4.5176003431
 Pt        11.1635241017       11.3030647300        4.5206909599
 Pt        13.9580932631       11.2746702656        4.5242031175
 Pt        16.7670048538       11.2867973718        4.5258694561
 Pt        19.5361232144       11.2929270708        4.5260823643
 Pt         6.9680784987       13.7145058501        4.5255398988
 Pt         9.7680811711       13.6969991597        4.5211727283
 Pt        12.5810748719       13.7040860504        4.5254634424
 Pt        15.3533206066       13.7093049448        4.5254220926
 Pt        18.1462584052       13.6881679036        4.5265212360
 Pt        20.9503961222       13.7026090925        4.5261072183
 Pt         0.0027923191       -0.0018212111        6.7753378596
 Pt         2.7955768270       -0.0025122789        6.7482976839
 Pt         5.5852067270       -0.0004339772        6.8782543586
 Pt         8.3789132644        0.0021988019        6.7778163474
 Pt        11.1711580797        0.0024570375        6.7516459413
 Pt        13.9635949081        0.0012305199        6.8860927002
 Pt         1.3991811552        2.4178347208        6.8805394927
 Pt         4.1914196737        2.4183612678        6.7767700044
 Pt         6.9835306642        2.4166132426        6.7489038594
 Pt         9.7738793990        2.4214993457        6.8581371162
 Pt        12.5649062799        2.4196428602        6.7819823051
 Pt        15.3565376016        2.4199441235        6.7489854314
 Pt         2.7955367921        4.8368888114        6.7503013269
 Pt         5.5852306012        4.8344993023        6.8749006015
 Pt         8.3786308705        4.8422708128        6.7535895452
 Pt        11.1697101418        4.8423718998        6.7294752481
 Pt        13.9595909885        4.8358655398        6.8562916960
 Pt        16.7507517141        4.8367289910        6.7769817696
 Pt         4.1916973807        7.2541936728        6.7813424997
 Pt         6.9898863152        7.2500484524        6.7336250611
 Pt         9.7648220490        7.2533836032        6.7998839423
 Pt        12.5567240917        7.2506017899        6.7485300055
 Pt        15.3571021484        7.2540176729        6.7497221076
 Pt        18.1516285010        7.2523822521        6.8842348314
 Pt         5.5894734494        9.6692886596        6.8638493475
 Pt         8.3851900703        9.6688702037        6.7531896509
 Pt        11.1632895165        9.6680210299        6.7305984200
 Pt        13.9561394302        9.6693472103        6.8638141359
 Pt        16.7503706615        9.6703998224        6.7786566323
 Pt        19.5484732567        9.6701874682        6.7496001059
 Pt         6.9824674734       12.0889948059        6.7488846531
 Pt         9.7742505724       12.0904978762        6.8598084119
 Pt        12.5659685376       12.0874298075        6.7822513994
 Pt        15.3563475747       12.0882379781        6.7504089061
 Pt        18.1509745362       12.0890826124        6.8835483972
 Pt        20.9443762301       12.0885913188        6.7790609881
  O         1.3572818658        2.4218733634        9.4702941318
  H         1.8837529897        3.2145476672        9.7579933822
  H         1.8831677136        1.6283815833        9.7569514357
  O         2.7244342484        4.8357406067        9.9148275059
  H         2.7610737847        4.8357596808        8.9153063954
  H         3.6932708215        4.8339502169       10.1213890528
  O         5.5436167082        4.8282095326        9.4771165451
  H         6.0647518659        5.6249693434        9.7691949853
  H         6.0752709994        4.0404414222        9.7669419668
  O         6.9259307543        2.4486133223        9.9163835783
  H         6.9563047093        2.4261133470        8.9174868090
  H         7.8967201578        2.4221629788       10.1184336285
  O         5.5387673775        0.0004900135        9.4731249533
  H         6.0648271858        0.7929797164        9.7582892894
  H         6.0663813992       -0.7926643200        9.7576389260
  O         2.7523349424       -0.0001150974        9.9162467597
  H         2.7772920391       -0.0001014852        8.9162856296
  H         3.7241195709        0.0005399897       10.1123025106
  O         5.5203930016        9.6800131416        9.4957612435
  H         6.0598416998       10.4685560496        9.7684362205
  H         6.0496941528        8.8850440959        9.7692663390
  O         6.9280415994       12.1171914918        9.9165151052
  H         6.9574532194       12.0920544878        8.9176355545
  H         7.8989831170       12.1021099632       10.1180328982
  O         9.7219907423       12.0934314745        9.5246266086
  H        10.2669744875       12.8852119693        9.7790321248
  H        10.2489033086       11.3028352466        9.7903190016
  O        11.1244728412        9.5672595355        9.9133320305
  H        11.1389572052        9.6625079992        8.9124786856
  H        12.1034335320        9.6028398405       10.1103098253
  O         9.8541755347        7.2504639047        9.8027117167
  H         9.7010180400        7.2533725478        8.6641110507
  H        10.4235457168        8.1022428217        9.9875328644
  H        10.4204926673        6.4025084977        9.9867461908
  O         6.8933587318        7.2314897273        9.9194747336
  H         6.9684551541        7.2499406152        8.9136042727
  H         7.8317290135        7.2477509032       10.2076532260
  O         9.7167625082        2.3978353928        9.5192341045
  H        10.2379974867        3.1935671148        9.7842650529
  H        10.2671948337        1.6104972340        9.7791767063
  O        11.1037592716        4.9465057456        9.9098155036
  H        11.1284791994        4.8435715787        8.9110440386
  H        12.0801500922        4.9026980848       10.1159099442
  O        13.8780809363        4.8350213412        9.5650859452
  H        14.4332649241        5.6275306241        9.7910770611
  H        14.4307547646        4.0424369912        9.7931394120
  O        15.3033870565        2.3880387558        9.9152781395
  H        15.3328973971        2.4154101361        8.9160887999
  H        16.2726904692        2.4106127654       10.1170202929
  O        13.9229733415        0.0004190749        9.4692749956
  H        14.4527579878        0.7929174858        9.7562820044
  H        14.4515636036       -0.7933057914        9.7565072035
  O        11.1018515732        0.0001083499        9.9140986807
  H        11.1367833117       -0.0003873249        8.9145424289
  H        12.0700721420       -0.0008036855       10.1206481051
  O        13.9054142996        9.6724259053        9.5579906513
  H        14.4556904028       10.4669282629        9.7920662390
  H        14.4586405287        8.8790981691        9.7898158433
  O        15.3028097815       12.0604461338        9.9154411524
  H        15.3322163859       12.0828349441        8.9159317982
  H        16.2716465164       12.0793363215       10.1174818752
  O        18.1095198937       12.0930137528        9.4703719289
  H        18.6354604720       12.8848968482        9.7583929371
  H        18.6356198667       11.2985073017        9.7570478720
  O        19.5028856829        9.6717617229        9.9178442827
  H        19.5294094895        9.6715233722        8.9169036522
  H        20.4758689967        9.6738250620       10.1128476913
  O        18.1102141994        7.2499528554        9.4692285107
  H        18.6355116200        8.0446943795        9.7561618869
  H        18.6362170246        6.4576397046        9.7574929939
  O        15.3035378571        7.2837415317        9.9154566095
  H        15.3313787477        7.2592219443        8.9162041889
  H        16.2724317257        7.2624714251       10.1167397648
     217
 i =       12, E =    -17723.0148061495
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0113868703        1.6153574386        4.5198001226
 Pt         2.7866747077        1.6183522634        4.5195734882
 Pt         5.5809787209        1.5972613753        4.5194640756
 Pt         8.3844904436        1.6102725331        4.5119303166
 Pt        11.1643904425        1.6155358747        4.5158863071
 Pt        13.9582984954        1.5972586219        4.5228674098
 Pt         1.3966718969        4.0202069473        4.5208358111
 Pt         4.1932311650        4.0290422865        4.5175752332
 Pt         6.9656414459        4.0347881763        4.5126125873
 Pt         9.7685998446        4.0160221424        4.5025323472
 Pt        12.5786204745        4.0250013951        4.5063139850
 Pt        15.3594352724        4.0326076401        4.5128376763
 Pt         2.7814726403        6.4576105645        4.5221072759
 Pt         5.5757356924        6.4355589525        4.5160350844
 Pt         8.3828302539        6.4484061219        4.4981133692
 Pt        11.1647326931        6.4529817600        4.4986709550
 Pt        13.9666733816        6.4359873560        4.5057514111
 Pt        16.7684114827        6.4522345260        4.5205970120
 Pt         4.1952710088        8.8661402444        4.5146391832
 Pt         6.9701686779        8.8746212667        4.5055054058
 Pt         9.7708381591        8.8605074165        4.4985455508
 Pt        12.5780878258        8.8717644277        4.5020916966
 Pt        15.3532270666        8.8750359736        4.5165280841
 Pt        18.1452483323        8.8592958520        4.5221229950
 Pt         5.5790062614       11.2767760209        4.5156888467
 Pt         8.3844676749       11.2928425451        4.5062903244
 Pt        11.1640806096       11.2987112778        4.5102334781
 Pt        13.9604277603       11.2777277674        4.5168058249
 Pt        16.7659543556       11.2872137942        4.5199937098
 Pt        19.5376249057       11.2909151169        4.5200289662
 Pt         6.9684660258       13.7136382140        4.5208734663
 Pt         9.7695369756       13.7006532458        4.5135070648
 Pt        12.5797548991       13.7042563357        4.5193987551
 Pt        15.3558247563       13.7061101398        4.5201545304
 Pt        18.1487669862       13.6896947102        4.5206359493
 Pt        20.9484366609       13.7026298081        4.5218880366
 Pt         0.0033801978       -0.0017829868        6.7676218726
 Pt         2.7960392704       -0.0036701197        6.7467578820
 Pt         5.5864468641       -0.0012915229        6.8617149623
 Pt         8.3800176391        0.0018067531        6.7703363311
 Pt        11.1716555954        0.0023419350        6.7520010281
 Pt        13.9635159259        0.0012409562        6.8781409961
 Pt         1.4000838989        2.4181930026        6.8638276871
 Pt         4.1922368881        2.4176363841        6.7696259721
 Pt         6.9841604216        2.4159031017        6.7423855834
 Pt         9.7735475366        2.4212275910        6.8308349392
 Pt        12.5651459978        2.4211254901        6.7702553684
 Pt        15.3564080855        2.4208601821        6.7480723376
 Pt         2.7954739195        4.8368819032        6.7505683030
 Pt         5.5855326129        4.8336879051        6.8587495080
 Pt         8.3793395143        4.8426803358        6.7448789355
 Pt        11.1682470241        4.8415419870        6.7288930888
 Pt        13.9580861863        4.8363411113        6.8244551336
 Pt        16.7501001890        4.8373845634        6.7697501057
 Pt         4.1923267922        7.2537181820        6.7702245054
 Pt         6.9894836271        7.2506291232        6.7367567558
 Pt         9.7613788630        7.2530277882        6.8122748096
 Pt        12.5541111360        7.2508254518        6.7366347589
 Pt        15.3551474758        7.2532889104        6.7434633668
 Pt        18.1520545657        7.2529156958        6.8731886437
 Pt         5.5899653732        9.6693111521        6.8383578310
 Pt         8.3860282134        9.6689421164        6.7438222133
 Pt        11.1625357934        9.6670612604        6.7307369382
 Pt        13.9543434651        9.6687239032        6.8389388926
 Pt        16.7496733031        9.6703481391        6.7727798692
 Pt        19.5481736484        9.6699495725        6.7491874256
 Pt         6.9836880375       12.0882749757        6.7422936417
 Pt         9.7744374987       12.0908224505        6.8329748172
 Pt        12.5658403575       12.0864062057        6.7708555271
 Pt        15.3567556179       12.0875409633        6.7501561306
 Pt        18.1517029767       12.0887591938        6.8680467292
 Pt        20.9449189462       12.0890232858        6.7727001651
  O         1.3554516074        2.4239331643        9.4551863291
  H         1.8908162632        3.2188209830        9.7329399415
  H         1.8909445935        1.6285523471        9.7315149533
  O         2.7071882496        4.8361242513        9.9115689877
  H         2.7382309473        4.8356329667        8.9055975433
  H         3.6839312720        4.8324042014       10.0993323638
  O         5.5445956599        4.8411978223        9.4510929893
  H         6.0610758128        5.6160110400        9.7442418553
  H         6.0863556659        4.0351674984        9.7465357824
  O         6.9156808050        2.4536115614        9.9142889960
  H         6.9381295255        2.4338391073        8.9092343684
  H         7.8915953571        2.4285194386       10.0936569129
  O         5.5366531738       -0.0017456133        9.4574480740
  H         6.0680385507        0.7972553784        9.7349398937
  H         6.0684214028       -0.7939713862        9.7334335160
  O         2.7478724672        0.0003567377        9.9121726546
  H         2.7649881635       -0.0005683356        8.9093658614
  H         3.7261318450        0.0009283364       10.0823753211
  O         5.5152183249        9.6767655664        9.4720151560
  H         6.0555171991       10.4729391403        9.7524893257
  H         6.0366994690        8.8894916088        9.7511402582
  O         6.9163232183       12.1312539941        9.9133382757
  H         6.9403077494       12.0958522122        8.9098582570
  H         7.8960303175       12.1141838900       10.0931862246
  O         9.7177665928       12.0880507909        9.5365786865
  H        10.2785012483       12.8859326333        9.7731669264
  H        10.2498537545       11.3069805053        9.7889449750
  O        11.1300725881        9.5371614848        9.9240663021
  H        11.1176536321        9.6359981599        8.9150349896
  H        12.1233124531        9.5682190740       10.0734027003
  O         9.9141955234        7.2613817738        9.8547304739
  H         9.7180933315        7.2526652755        8.8165159227
  H        10.4795757788        8.1211560787       10.0186362881
  H        10.4795526066        6.3722278769       10.0178909715
  O         6.8727540030        7.2231654346        9.9097848171
  H         6.9681964183        7.2453402081        8.9184434974
  H         7.8059622053        7.2413638869       10.2256349600
  O         9.7105477995        2.3872498109        9.5241237880
  H        10.2286369208        3.1816337162        9.7788178146
  H        10.2759136227        1.6020916324        9.7720790364
  O        11.1067062749        4.9817402914        9.9214622837
  H        11.0934975237        4.8711731093        8.9071827531
  H        12.0840227145        4.9395284491       10.0889036530
  O        13.8753232784        4.8391380261        9.5592421974
  H        14.4266291594        5.6259734118        9.7966798754
  H        14.4213786686        4.0413169014        9.8016743328
  O        15.2913336573        2.3749539543        9.9115352192
  H        15.3147764839        2.4126754131        8.9085526915
  H        16.2697049123        2.4009368825       10.0913374196
  O        13.9184125765       -0.0013630520        9.4570024182
  H        14.4634990256        0.7936438099        9.7285746921
  H        14.4609015591       -0.7932073463        9.7283968544
  O        11.0844385728       -0.0002197450        9.9114169422
  H        11.1141301117       -0.0004604928        8.9040804021
  H        12.0623774609       -0.0015165428       10.0981659482
  O        13.9040082804        9.6684505361        9.5610313000
  H        14.4631576046       10.4653658731        9.7966589859
  H        14.4705977443        8.8823521221        9.7919226004
  O        15.2906436606       12.0551040536        9.9116022859
  H        15.3138374202       12.0746861361        8.9080688158
  H        16.2696655656       12.0694151997       10.0922532813
  O        18.1082026078       12.0911582949        9.4548951878
  H        18.6433502393       12.8894889632        9.7340459895
  H        18.6429515623       11.2988693552        9.7312068233
  O        19.4964791529        9.6716119212        9.9110039957
  H        19.5167966520        9.6714700513        8.9126863515
  H        20.4783119587        9.6754883969       10.0835366126
  O        18.1091042522        7.2506790036        9.4541295470
  H        18.6436582562        8.0444971978        9.7300748536
  H        18.6445905449        6.4529446786        9.7325076644
  O        15.2908765573        7.2926470981        9.9116381597
  H        15.3122853495        7.2647884567        8.9084325674
  H        16.2709431467        7.2719622904       10.0908990385
     217
 i =       13, E =    -17723.0168983547
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0113056779        1.6150281343        4.5219734014
 Pt         2.7867956244        1.6185903702        4.5215939676
 Pt         5.5809124827        1.5980742519        4.5212715927
 Pt         8.3846738002        1.6103432466        4.5142657069
 Pt        11.1644228399        1.6158519624        4.5178458870
 Pt        13.9579221840        1.5979640019        4.5245196081
 Pt         1.3962433520        4.0203725999        4.5228599345
 Pt         4.1942668814        4.0294494677        4.5198657395
 Pt         6.9669127009        4.0349403745        4.5154838756
 Pt         9.7685257729        4.0169230801        4.5064315667
 Pt        12.5775432987        4.0253672906        4.5097476128
 Pt        15.3583870777        4.0333399527        4.5150252356
 Pt         2.7823064546        6.4574515853        4.5237694760
 Pt         5.5762575913        6.4362683671        4.5187137375
 Pt         8.3804779954        6.4471776681        4.4993969361
 Pt        11.1667362883        6.4517096847        4.4994959154
 Pt        13.9653958172        6.4368461921        4.5089260692
 Pt        16.7676610112        6.4517991568        4.5224202538
 Pt         4.1954521200        8.8661097653        4.5169473402
 Pt         6.9708252457        8.8741084388        4.5090255439
 Pt         9.7706218960        8.8628813329        4.4995984264
 Pt        12.5772637934        8.8712439698        4.5060900323
 Pt        15.3531650499        8.8749907373        4.5184973411
 Pt        18.1450185722        8.8589192081        4.5242232188
 Pt         5.5790267059       11.2766163058        4.5178225098
 Pt         8.3842648685       11.2916905915        4.5095158052
 Pt        11.1643793923       11.2975364812        4.5132417075
 Pt        13.9600271096       11.2775250382        4.5187091085
 Pt        16.7657770230       11.2868624460        4.5221189133
 Pt        19.5377399426       11.2911214875        4.5219761045
 Pt         6.9692287748       13.7132169618        4.5227584077
 Pt         9.7692652780       13.6996183208        4.5158024996
 Pt        12.5790374403       13.7037916570        4.5212159268
 Pt        15.3552681935       13.7064977655        4.5222204593
 Pt        18.1483029863       13.6899069805        4.5226032345
 Pt        20.9488827027       13.7026214460        4.5241069836
 Pt         0.0029908078       -0.0015520728        6.7721677729
 Pt         2.7957989246       -0.0033538475        6.7494457253
 Pt         5.5863276508       -0.0011991077        6.8629568707
 Pt         8.3797671517        0.0015424223        6.7742983931
 Pt        11.1713578853        0.0021892167        6.7543904721
 Pt        13.9634862015        0.0011411720        6.8785582269
 Pt         1.3998316296        2.4182284485        6.8651814298
 Pt         4.1917608555        2.4174786186        6.7738787182
 Pt         6.9838943602        2.4161850258        6.7456293319
 Pt         9.7735045043        2.4212352449        6.8329910117
 Pt        12.5650454556        2.4209934973        6.7739761806
 Pt        15.3565176106        2.4206045794        6.7507513912
 Pt         2.7952739000        4.8367609496        6.7532636218
 Pt         5.5856581341        4.8340598517        6.8595095245
 Pt         8.3791267187        4.8419494385        6.7530680256
 Pt        11.1676950879        4.8410496461        6.7359383484
 Pt        13.9582332100        4.8363501461        6.8273132548
 Pt        16.7502271869        4.8373254211        6.7738086702
 Pt         4.1918431729        7.2535203008        6.7741759103
 Pt         6.9890229803        7.2511438411        6.7419880162
 Pt         9.7629538046        7.2530855532        6.8007967458
 Pt        12.5548105093        7.2512295654        6.7453398532
 Pt        15.3551413217        7.2531788532        6.7463359248
 Pt        18.1516212949        7.2528116552        6.8737231937
 Pt         5.5898145327        9.6693270998        6.8403006562
 Pt         8.3847688972        9.6690562755        6.7518338317
 Pt        11.1630383992        9.6672833000        6.7375217209
 Pt        13.9546266240        9.6687806457        6.8405396694
 Pt        16.7496932830        9.6705499524        6.7768494285
 Pt        19.5479542834        9.6703032181        6.7515714745
 Pt         6.9838262729       12.0884478256        6.7454752575
 Pt         9.7744256319       12.0904333950        6.8350123979
 Pt        12.5653097780       12.0866534881        6.7745322219
 Pt        15.3569055824       12.0874426327        6.7526047675
 Pt        18.1514747031       12.0887812002        6.8691914210
 Pt        20.9443294181       12.0890324019        6.7766108979
  O         1.3558069190        2.4240535300        9.4594002738
  H         1.8888897970        3.2171704655        9.7375232688
  H         1.8898027321        1.6288643001        9.7364030019
  O         2.7118249910        4.8361049826        9.9104016640
  H         2.7426382718        4.8356494890        8.9078181557
  H         3.6843484792        4.8326300373       10.1008133266
  O         5.5427764372        4.8291842284        9.4552386247
  H         6.0639562618        5.6227545784        9.7495102062
  H         6.0813222886        4.0397119487        9.7480815307
  O         6.9169019480        2.4493406774        9.9123268505
  H         6.9416792169        2.4332753442        8.9111171009
  H         7.8920443840        2.4278837422       10.0959812923
  O         5.5370227634        0.0005721393        9.4616560077
  H         6.0669276854        0.7953719278        9.7394550675
  H         6.0686714017       -0.7943876256        9.7387568725
  O         2.7481845544        0.0002341697        9.9113315717
  H         2.7673256412       -0.0007344679        8.9106170437
  H         3.7245896162        0.0009321165       10.0854434854
  O         5.5175673636        9.6812307020        9.4745643783
  H         6.0537370917       10.4703650554        9.7554156661
  H         6.0387861111        8.8867185677        9.7555703461
  O         6.9190196130       12.1252193945        9.9118708234
  H         6.9436453601       12.0958805765        8.9115233000
  H         7.8947689199       12.1138490485       10.0954148965
  O         9.7187560208       12.0909445982        9.5361859473
  H        10.2752466134       12.8841336186        9.7763897954
  H        10.2506893191       11.3054160383        9.7919130701
  O        11.1304274341        9.5414445004        9.9200769886
  H        11.1214569954        9.6368903718        8.9177215709
  H        12.1208784600        9.5743934002       10.0760355831
  O         9.9055911789        7.2564764344        9.8543333964
  H         9.7236867649        7.2534396644        8.7965368953
  H        10.4698308531        8.1251398246       10.0060667685
  H        10.4676498614        6.3728302554       10.0049102566
  O         6.8765289479        7.2266366637        9.9162307710
  H         6.9720847406        7.2456050206        8.9148786446
  H         7.8058734572        7.2417539564       10.2208992000
  O         9.7120533049        2.3881051169        9.5236998340
  H        10.2302266034        3.1835184699        9.7822074887
  H        10.2730656902        1.6039672972        9.7753875682
  O        11.1035873109        4.9758560666        9.9164160226
  H        11.0994859725        4.8708684600        8.9118402046
  H        12.0898777811        4.9337139127       10.0907611194
  O        13.8789304969        4.8365217983        9.5529927276
  H        14.4280733418        5.6272672222        9.7988639248
  H        14.4205149917        4.0427903029        9.8031146049
  O        15.2944030165        2.3809591580        9.9109453581
  H        15.3179672946        2.4130415166        8.9102466157
  H        16.2683060379        2.4008992169       10.0935350137
  O        13.9191524656       -0.0001325513        9.4607584524
  H        14.4608731962        0.7925265147        9.7331769730
  H        14.4590851231       -0.7931618594        9.7333395820
  O        11.0896315100       -0.0002424094        9.9100937540
  H        11.1184632306       -0.0002948903        8.9068530699
  H        12.0622968049       -0.0015785113       10.0996580215
  O        13.9071944561        9.6698156149        9.5555125914
  H        14.4584639844       10.4639628068        9.7979776206
  H        14.4674896605        8.8820199885        9.7936168847
  O        15.2945190512       12.0597273736        9.9113627465
  H        15.3172055852       12.0747901057        8.9096891177
  H        16.2680289818       12.0702331336       10.0941869038
  O        18.1086932691       12.0933409562        9.4590903621
  H        18.6408193350       12.8869685041        9.7382396962
  H        18.6425203822       11.2982287683        9.7364253129
  O        19.4978788153        9.6716499844        9.9121859819
  H        19.5192245513        9.6714924632        8.9120699780
  H        20.4756250606        9.6753343399       10.0862659948
  O        18.1094967286        7.2490923534        9.4583253812
  H        18.6430233368        8.0448087364        9.7353081391
  H        18.6421473810        6.4553980632        9.7368683650
  O        15.2951024877        7.2871746009        9.9113294426
  H        15.3155255150        7.2644899530        8.9102824636
  H        16.2688798190        7.2715419172       10.0928853145
     217
 i =       14, E =    -17723.0174969463
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0111465632        1.6147963194        4.5234426598
 Pt         2.7870370055        1.6186742384        4.5229258513
 Pt         5.5809634663        1.5988692854        4.5223294705
 Pt         8.3845936349        1.6102165953        4.5154091321
 Pt        11.1646902658        1.6157413810        4.5188010006
 Pt        13.9578236450        1.5986082111        4.5256434155
 Pt         1.3961431171        4.0206736208        4.5242099679
 Pt         4.1950695981        4.0298613227        4.5213984063
 Pt         6.9682149500        4.0350783864        4.5173708537
 Pt         9.7685370804        4.0179339085        4.5090753228
 Pt        12.5761536471        4.0257504203        4.5117308489
 Pt        15.3577186656        4.0337185207        4.5161187710
 Pt         2.7830658362        6.4571280677        4.5248634915
 Pt         5.5770408977        6.4370383597        4.5205284726
 Pt         8.3789968229        6.4465271831        4.5010536365
 Pt        11.1677368370        6.4508464846        4.5007926345
 Pt        13.9642440849        6.4379102042        4.5106547046
 Pt        16.7670240335        6.4514280443        4.5235921658
 Pt         4.1952698997        8.8660641735        4.5181956225
 Pt         6.9714962729        8.8733506942        4.5114484756
 Pt         9.7706011786        8.8642131386        4.5010778813
 Pt        12.5762905933        8.8708768586        4.5088271980
 Pt        15.3534093051        8.8748593533        4.5195127170
 Pt        18.1449363894        8.8586711671        4.5257507369
 Pt         5.5790972758       11.2767539336        4.5189397704
 Pt         8.3838911288       11.2904395149        4.5113714028
 Pt        11.1647885424       11.2960992867        4.5150101195
 Pt        13.9599775211       11.2776434573        4.5196661420
 Pt        16.7656179543       11.2865857221        4.5235237769
 Pt        19.5379513304       11.2911614900        4.5232388632
 Pt         6.9699001181       13.7128492830        4.5240623570
 Pt         9.7691542772       13.6989758043        4.5170474953
 Pt        12.5782979076       13.7034167929        4.5222453756
 Pt        15.3549389401       13.7065842900        4.5235984616
 Pt        18.1481715142       13.6901640604        4.5238496628
 Pt        20.9492309023       13.7026670778        4.5257606486
 Pt         0.0027479391       -0.0013497118        6.7752216648
 Pt         2.7956165366       -0.0031835479        6.7515005865
 Pt         5.5863126309       -0.0012198706        6.8619888082
 Pt         8.3796822727        0.0012690235        6.7767972406
 Pt        11.1711649253        0.0020877213        6.7564363449
 Pt        13.9634449087        0.0010617467        6.8777308785
 Pt         1.3996529284        2.4183066281        6.8643454645
 Pt         4.1914362966        2.4172347859        6.7767234366
 Pt         6.9837757312        2.4163962459        6.7477459788
 Pt         9.7734074661        2.4211578317        6.8315854683
 Pt        12.5649519602        2.4210704587        6.7759237407
 Pt        15.3566116636        2.4204829923        6.7528855470
 Pt         2.7951065463        4.8366421074        6.7556009217
 Pt         5.5857379746        4.8342443677        6.8582414056
 Pt         8.3790773243        4.8414119870        6.7594216684
 Pt        11.1669968407        4.8406202264        6.7419095705
 Pt        13.9582099632        4.8363931526        6.8261258495
 Pt        16.7502666373        4.8373356111        6.7764172965
 Pt         4.1915464370        7.2532960129        6.7764288508
 Pt         6.9887396798        7.2516530907        6.7471734275
 Pt         9.7639641552        7.2530604695        6.7942848181
 Pt        12.5550830729        7.2515695616        6.7516787309
 Pt        15.3548601954        7.2530287666        6.7481711393
 Pt        18.1512078958        7.2527329487        6.8726596960
 Pt         5.5896607085        9.6693866998        6.8390213200
 Pt         8.3838359956        9.6690798627        6.7578704442
 Pt        11.1633028400        9.6673623202        6.7433911910
 Pt        13.9547231430        9.6687711483        6.8388556561
 Pt        16.7496209634        9.6706936116        6.7796523204
 Pt        19.5477546989        9.6706001345        6.7535876750
 Pt         6.9841295298       12.0885017479        6.7475595718
 Pt         9.7744152367       12.0901012008        6.8334898105
 Pt        12.5647819318       12.0866829994        6.7764638227
 Pt        15.3570558930       12.0872269208        6.7546430595
 Pt        18.1513058271       12.0887688635        6.8683129118
 Pt        20.9439065056       12.0890677030        6.7792346814
  O         1.3556806094        2.4230377684        9.4613521882
  H         1.8883886166        3.2171304777        9.7388636613
  H         1.8893228284        1.6296166941        9.7374686903
  O         2.7138657265        4.8361007529        9.9092815597
  H         2.7429126662        4.8356500715        8.9070761063
  H         3.6847896631        4.8325515221       10.1002193731
  O         5.5430303921        4.8272623423        9.4575389595
  H         6.0629805240        5.6238949633        9.7493338383
  H         6.0792673169        4.0405616884        9.7474711889
  O         6.9180743166        2.4463386887        9.9110362419
  H         6.9416794729        2.4337458650        8.9099850702
  H         7.8920836906        2.4279081408       10.0957212646
  O         5.5369194116        0.0004648007        9.4638499220
  H         6.0668658344        0.7951194545        9.7409307842
  H         6.0685599097       -0.7940376402        9.7402720825
  O         2.7486903318        0.0002224762        9.9104176389
  H         2.7668341605       -0.0010325076        8.9091622145
  H         3.7241864477        0.0010473910       10.0853938260
  O         5.5183674400        9.6817383962        9.4743675290
  H         6.0525752140       10.4702437382        9.7565027285
  H         6.0381564497        8.8858549570        9.7567803421
  O         6.9202624454       12.1214105320        9.9107265399
  H         6.9436066229       12.0962950187        8.9102132038
  H         7.8943584689       12.1151522468       10.0952592195
  O         9.7192124278       12.0928556854        9.5379636007
  H        10.2735504127       12.8828300555        9.7787584475
  H        10.2513371799       11.3043167201        9.7947108749
  O        11.1334228986        9.5399540053        9.9196329655
  H        11.1210031142        9.6344743714        8.9171125675
  H        12.1211791459        9.5751512439       10.0744029974
  O         9.9046429984        7.2536564730        9.8551337341
  H         9.7309376014        7.2540124335        8.7999138328
  H        10.4693191228        8.1301860638       10.0001296047
  H        10.4659024375        6.3697716901        9.9986325999
  O         6.8739229608        7.2285853687        9.9159205171
  H         6.9746749535        7.2452208715        8.9141903191
  H         7.8059245836        7.2412813780       10.2214966822
  O         9.7126224630        2.3884051429        9.5242564278
  H        10.2302406390        3.1836611926        9.7847147418
  H        10.2715878466        1.6039137449        9.7778054707
  O        11.1066120162        4.9757438668        9.9163882616
  H        11.0996104890        4.8739384629        8.9124333385
  H        12.0920005408        4.9335916636       10.0883980114
  O        13.8812305426        4.8371160680        9.5486706763
  H        14.4278053302        5.6273623281        9.8010679876
  H        14.4190468257        4.0426999924        9.8057326233
  O        15.2955715110        2.3850095349        9.9102355589
  H        15.3175785357        2.4132254070        8.9092970786
  H        16.2681472192        2.3996049077       10.0933106329
  O        13.9195402777        0.0002050172        9.4623726762
  H        14.4599245394        0.7922745792        9.7340648685
  H        14.4583504881       -0.7933020814        9.7343293728
  O        11.0917314581       -0.0002879813        9.9089746386
  H        11.1186810531       -0.0001055787        8.9064687385
  H        12.0628458793       -0.0017436889       10.0991129578
  O        13.9094772672        9.6697599231        9.5512813229
  H        14.4552499020       10.4637486030        9.7999782012
  H        14.4659763473        8.8815839204        9.7953853453
  O        15.2957765538       12.0629054279        9.9105646682
  H        15.3169902415       12.0737133978        8.9088899471
  H        16.2682471985       12.0698764572       10.0938344570
  O        18.1087579285       12.0926160416        9.4610022002
  H        18.6402109933       12.8866375783        9.7394725544
  H        18.6423058929       11.2986650520        9.7375775536
  O        19.4985589755        9.6716592509        9.9116298806
  H        19.5187743848        9.6715070625        8.9100179327
  H        20.4746942717        9.6754629186       10.0860796712
  O        18.1094786413        7.2500030888        9.4601981641
  H        18.6428076247        8.0442265099        9.7364926671
  H        18.6416280610        6.4557126550        9.7381522814
  O        15.2964862396        7.2834060376        9.9107733099
  H        15.3150610482        7.2648919665        8.9095066884
  H        16.2689371667        7.2722636382       10.0925121890
     217
 i =       15, E =    -17723.0181918022
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0111919912        1.6144539653        4.5252793511
 Pt         2.7874147869        1.6190648286        4.5245609762
 Pt         5.5809434036        1.6000066050        4.5233653029
 Pt         8.3846126954        1.6098114321        4.5161956658
 Pt        11.1650939687        1.6154062567        4.5192645446
 Pt        13.9577774239        1.5994541900        4.5269494236
 Pt         1.3961303603        4.0210058505        4.5258564181
 Pt         4.1968104461        4.0307214205        4.5232198873
 Pt         6.9704844104        4.0353749701        4.5199872064
 Pt         9.7683427837        4.0197654906        4.5128106352
 Pt        12.5736688825        4.0262172910        4.5141967068
 Pt        15.3564950451        4.0344825516        4.5168079830
 Pt         2.7841301696        6.4566488827        4.5260631399
 Pt         5.5783149525        6.4383055586        4.5231739783
 Pt         8.3768868302        6.4456760269        4.5036702581
 Pt        11.1688144001        6.4495938143        4.5028255169
 Pt        13.9621384066        6.4399293835        4.5125731703
 Pt        16.7662808194        6.4507766836        4.5248386285
 Pt         4.1949823033        8.8659890766        4.5192932988
 Pt         6.9726994532        8.8719861451        4.5148913569
 Pt         9.7705906365        8.8659098519        4.5034964666
 Pt        12.5745540574        8.8701942560        4.5127343398
 Pt        15.3538830249        8.8748751554        4.5201656537
 Pt        18.1447380390        8.8578924300        4.5277757511
 Pt         5.5790838060       11.2768922774        4.5198949394
 Pt         8.3831161768       11.2881438357        4.5135357183
 Pt        11.1656244488       11.2935868439        4.5171379274
 Pt        13.9601028427       11.2778339735        4.5202646362
 Pt        16.7657877140       11.2861309518        4.5252184521
 Pt        19.5382050247       11.2914511425        4.5247432678
 Pt         6.9708860054       13.7125724752        4.5256614260
 Pt         9.7688916931       13.6977085590        4.5180393850
 Pt        12.5772293865       13.7028230742        4.5230966930
 Pt        15.3542456484       13.7068648052        4.5252227772
 Pt        18.1480594074       13.6902673213        4.5252754890
 Pt        20.9503039451       13.7028565561        4.5280191221
 Pt         0.0024915675       -0.0010433488        6.7789533669
 Pt         2.7953432157       -0.0029889623        6.7530897941
 Pt         5.5862777084       -0.0013834770        6.8596099075
 Pt         8.3796573693        0.0007849410        6.7793762351
 Pt        11.1709170734        0.0020379444        6.7582579260
 Pt        13.9634390230        0.0009391410        6.8761873150
 Pt         1.3993076449        2.4184728391        6.8624637778
 Pt         4.1909922489        2.4167224445        6.7800955075
 Pt         6.9837208540        2.4167551569        6.7495058076
 Pt         9.7731868535        2.4209767807        6.8271399111
 Pt        12.5647267934        2.4213962538        6.7776144129
 Pt        15.3567679431        2.4204377802        6.7547345867
 Pt         2.7949037364        4.8363993999        6.7580683087
 Pt         5.5858091544        4.8344677817        6.8554301662
 Pt         8.3791577673        4.8408105098        6.7691928198
 Pt        11.1655407547        4.8401637955        6.7508119481
 Pt        13.9580464155        4.8364870697        6.8220503640
 Pt        16.7502368406        4.8373595715        6.7791929835
 Pt         4.1911997930        7.2528732232        6.7787936641
 Pt         6.9888903634        7.2524058874        6.7549028087
 Pt         9.7655924151        7.2530517217        6.7857105639
 Pt        12.5550279118        7.2520035831        6.7608435782
 Pt        15.3540993485        7.2527917766        6.7493714276
 Pt        18.1503474875        7.2525683558        6.8704656206
 Pt         5.5893323482        9.6695034289        6.8354894261
 Pt         8.3826837320        9.6688138781        6.7668057641
 Pt        11.1632757270        9.6673201232        6.7524509058
 Pt        13.9547728945        9.6686755402        6.8341843042
 Pt        16.7493818954        9.6708294622        6.7830164825
 Pt        19.5475396635        9.6710880691        6.7553565427
 Pt         6.9848575548       12.0885237438        6.7492843796
 Pt         9.7744092160       12.0894314659        6.8287200023
 Pt        12.5637559415       12.0864779127        6.7780943510
 Pt        15.3572897871       12.0866070954        6.7564081500
 Pt        18.1509850535       12.0886781477        6.8665261647
 Pt        20.9433557543       12.0891161116        6.7822812994
  O         1.3548000585        2.4229402841        9.4627186127
  H         1.8878023394        3.2169677722        9.7376725488
  H         1.8902512500        1.6301769393        9.7360968244
  O         2.7144870369        4.8360587162        9.9066722445
  H         2.7390212831        4.8356429106        8.9036712680
  H         3.6868939438        4.8321282644       10.0966129163
  O         5.5409659946        4.8251851182        9.4592007570
  H         6.0612333945        5.6263928484        9.7454288991
  H         6.0777585580        4.0398554408        9.7435628987
  O         6.9183327018        2.4430608512        9.9078329020
  H         6.9378102482        2.4356017927        8.9061947780
  H         7.8939635422        2.4281561408       10.0925312015
  O         5.5356267344        0.0008621153        9.4661256369
  H         6.0671830027        0.7945159410        9.7401829889
  H         6.0692584921       -0.7936742532        9.7397793913
  O         2.7494011063        0.0003354683        9.9072335683
  H         2.7623883525       -0.0019122379        8.9053997750
  H         3.7257407135        0.0014226229       10.0820542383
  O         5.5170561362        9.6827671018        9.4728390149
  H         6.0503207385       10.4707325120        9.7558442586
  H         6.0356901952        8.8842629582        9.7560686548
  O         6.9202476302       12.1168282851        9.9076878357
  H         6.9397614931       12.0973600395        8.9061629660
  H         7.8958151944       12.1192899804       10.0924460728
  O         9.7191473731       12.0920456961        9.5443666245
  H        10.2731655963       12.8826443087        9.7832443186
  H        10.2512634805       11.3046284253        9.7996784006
  O        11.1394805702        9.5289238512        9.9188007256
  H        11.1152602375        9.6265257286        8.9139708408
  H        12.1282953725        9.5703745555       10.0671323779
  O         9.9136680852        7.2515411322        9.8625252522
  H         9.7441691805        7.2548105980        8.8260105131
  H        10.4802768776        8.1397785180        9.9983520403
  H        10.4761169062        6.3601639738        9.9963810855
  O         6.8694873517        7.2308323098        9.9155369307
  H         6.9782241473        7.2439657487        8.9128779287
  H         7.7966195041        7.2393583322       10.2264438034
  O         9.7124491341        2.3876458612        9.5273574428
  H        10.2294562615        3.1825043632        9.7890170786
  H        10.2696253749        1.6023971535        9.7815481906
  O        11.1127132961        4.9828446224        9.9170539217
  H        11.0941213913        4.8831801220        8.9117743294
  H        12.0988184145        4.9395612692       10.0794351412
  O        13.8826054547        4.8373661907        9.5463742875
  H        14.4273098653        5.6279077387        9.8051563310
  H        14.4145029150        4.0430366611        9.8107978195
  O        15.2956469272        2.3901004182        9.9081158359
  H        15.3126682869        2.4137995736        8.9061824435
  H        16.2699087023        2.3958934506       10.0901794777
  O        13.9198784780        0.0001451762        9.4626628866
  H        14.4598152508        0.7926952916        9.7321175039
  H        14.4581250775       -0.7939354583        9.7323885490
  O        11.0925970360       -0.0005128907        9.9068209229
  H        11.1146285632        0.0004182550        8.9034934686
  H        12.0652487349       -0.0022393627       10.0955684481
  O        13.9121529581        9.6686500571        9.5468044193
  H        14.4501778537       10.4648430730        9.8041186766
  H        14.4648331451        8.8800156208        9.7984330766
  O        15.2964937869       12.0665015870        9.9083572081
  H        15.3124290536       12.0702564961        8.9060194431
  H        16.2703104709       12.0682258483       10.0903230391
  O        18.1082822031       12.0920094264        9.4622383366
  H        18.6397772863       12.8861530193        9.7382306694
  H        18.6436207590       11.2987725243        9.7363030188
  O        19.4989370397        9.6716774884        9.9079768301
  H        19.5144003825        9.6715213578        8.9058875183
  H        20.4755927668        9.6759938880       10.0825508326
  O        18.1090124535        7.2505551453        9.4613063842
  H        18.6442450639        8.0439404234        9.7352635257
  H        18.6412818111        6.4562822033        9.7368713126
  O        15.2970674455        7.2790299594        9.9090067850
  H        15.3097803449        7.2662465634        8.9068963743
  H        16.2711893911        7.2746619804       10.0889288491
     217
 i =       16, E =    -17723.0185025045
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0122068717        1.6138715536        4.5284329427
 Pt         2.7874772794        1.6206668835        4.5275897986
 Pt         5.5802828621        1.6010963712        4.5256322612
 Pt         8.3856460938        1.6094599537        4.5184441267
 Pt        11.1646634973        1.6158378367        4.5203876362
 Pt        13.9573370877        1.6003013038        4.5290953505
 Pt         1.3956132032        4.0206219135        4.5287130683
 Pt         4.2004291502        4.0321772411        4.5260997519
 Pt         6.9735213725        4.0358378107        4.5255031254
 Pt         9.7671573047        4.0222302978        4.5200885613
 Pt        12.5710175004        4.0262954743        4.5201457984
 Pt        15.3535345946        4.0367400848        4.5185500982
 Pt         2.7851011241        6.4565362023        4.5281018075
 Pt         5.5788658633        6.4396838792        4.5287777126
 Pt         8.3734032775        6.4437967547        4.5067364222
 Pt        11.1709559364        6.4476149571        4.5052057026
 Pt        13.9587941361        6.4423940409        4.5175987074
 Pt        16.7655892398        6.4496024410        4.5268398546
 Pt         4.1957143300        8.8659175889        4.5217870205
 Pt         6.9744381375        8.8710026427        4.5215502485
 Pt         9.7701508955        8.8689381459        4.5065336534
 Pt        12.5723352205        8.8685238263        4.5202582349
 Pt        15.3536316921        8.8756333515        4.5216136761
 Pt        18.1439642703        8.8556884483        4.5308795972
 Pt         5.5786657153       11.2759615699        4.5224539391
 Pt         8.3820073894       11.2850242393        4.5185599085
 Pt        11.1666521698       11.2909669685        4.5219024529
 Pt        13.9597692453       11.2771610453        4.5217999000
 Pt        16.7669543766       11.2853442087        4.5281320931
 Pt        19.5380607887       11.2928010380        4.5275776999
 Pt         6.9721798474       13.7128294211        4.5283176117
 Pt         9.7678942654       13.6945507298        4.5200528334
 Pt        12.5762545777       13.7019509724        4.5246971614
 Pt        15.3523604497       13.7083939505        4.5278656136
 Pt        18.1472462423       13.6894807494        4.5279092949
 Pt        20.9531005294       13.7032327224        4.5313466377
 Pt         0.0023044080       -0.0007826193        6.7851016856
 Pt         2.7946191175       -0.0025841186        6.7528007359
 Pt         5.5856621737       -0.0015516366        6.8611240935
 Pt         8.3792353653        0.0002019852        6.7833935106
 Pt        11.1704594312        0.0022110128        6.7581508744
 Pt        13.9635742064        0.0007664132        6.8770796678
 Pt         1.3983636937        2.4186562972        6.8657435634
 Pt         4.1902662338        2.4161728459        6.7855163347
 Pt         6.9835794801        2.4173138539        6.7516333772
 Pt         9.7729553393        2.4205976286        6.8277499097
 Pt        12.5640750146        2.4216547828        6.7822169596
 Pt        15.3569177578        2.4204940354        6.7549900348
 Pt         2.7947145431        4.8359320888        6.7589657823
 Pt         5.5856404977        4.8348628847        6.8570859862
 Pt         8.3792113039        4.8406508763        6.7855809512
 Pt        11.1636316939        4.8403941640        6.7624091374
 Pt        13.9579242538        4.8364927881        6.8247602022
 Pt        16.7500860408        4.8370720968        6.7833976387
 Pt         4.1906586003        7.2524769442        6.7844527722
 Pt         6.9906210482        7.2525240640        6.7643364498
 Pt         9.7689568884        7.2533033286        6.7708428714
 Pt        12.5548277022        7.2523663736        6.7766765142
 Pt        15.3531236439        7.2527916479        6.7506155192
 Pt        18.1486520038        7.2521370071        6.8710282250
 Pt         5.5885137577        9.6696663402        6.8382947390
 Pt         8.3817879115        9.6677657660        6.7817911927
 Pt        11.1623791609        9.6672851404        6.7649304879
 Pt        13.9551975615        9.6686051406        6.8340909518
 Pt        16.7491046653        9.6707234858        6.7880563640
 Pt        19.5473617321        9.6716734741        6.7552866901
 Pt         6.9855986136       12.0886766046        6.7514831188
 Pt         9.7742841059       12.0880828216        6.8283215044
 Pt        12.5622130035       12.0860895687        6.7823625514
 Pt        15.3571935095       12.0856566795        6.7563966268
 Pt        18.1501680119       12.0885450909        6.8697712232
 Pt        20.9427205301       12.0890860029        6.7870993324
  O         1.3523827332        2.4208042464        9.4666733082
  H         1.8861393287        3.2174528165        9.7400105338
  H         1.8909809259        1.6312743283        9.7373771142
  O         2.7213427887        4.8359049836        9.9033005804
  H         2.7346000914        4.8356576212        8.9003316374
  H         3.6904021459        4.8313782281       10.0912821317
  O         5.5364521581        4.8312423190        9.4676432671
  H         6.0544958160        5.6258813427        9.7399313591
  H         6.0768320119        4.0348014362        9.7415026594
  O         6.9245823421        2.4400988056        9.9040475079
  H         6.9328129928        2.4373870460        8.9011597070
  H         7.8953887593        2.4264337266       10.0882733992
  O         5.5321326653       -0.0014086781        9.4724041114
  H         6.0686737500        0.7944235281        9.7428899091
  H         6.0698119030       -0.7913032425        9.7420830248
  O         2.7527503660        0.0004177764        9.9037516297
  H         2.7549684152       -0.0039659992        8.9001918808
  H         3.7278452741        0.0022642419       10.0789443380
  O         5.5142590677        9.6785426772        9.4781806070
  H         6.0492660542       10.4725381117        9.7570991156
  H         6.0309818096        8.8849794171        9.7552940764
  O         6.9256941265       12.1108335798        9.9035963304
  H         6.9346197207       12.0979523035        8.9012187520
  H         7.8965463438       12.1242271175       10.0893214545
  O         9.7176479135       12.0943000690        9.5533802721
  H        10.2705294023       12.8819232177        9.7931127078
  H        10.2522084516       11.3025307305        9.8109457723
  O        11.1508798372        9.5099608730        9.9115641993
  H        11.1068381184        9.6159086146        8.9090408601
  H        12.1414478563        9.5633918993       10.0578446947
  O         9.9302564872        7.2509756863        9.8765284175
  H         9.7582878005        7.2557850983        8.8384043190
  H        10.4986117353        8.1485033281        9.9992488809
  H        10.4941242437        6.3493942903        9.9966689509
  O         6.8526518568        7.2339453594        9.9095568444
  H         6.9830878844        7.2428019293        8.9124011588
  H         7.7909421233        7.2368594266       10.2404377665
  O         9.7118297184        2.3894663899        9.5362294319
  H        10.2302475926        3.1816028582        9.7984205290
  H        10.2648273066        1.6002100581        9.7903382851
  O        11.1203503212        4.9931644840        9.9137228323
  H        11.0888033126        4.8951055990        8.9109385059
  H        12.1155416653        4.9470368279       10.0649299028
  O        13.8795235535        4.8431890670        9.5520066434
  H        14.4274025631        5.6269220604        9.8097164632
  H        14.4102987229        4.0405561055        9.8187892436
  O        15.3010186085        2.3962341405        9.9057494058
  H        15.3052248229        2.4167951425        8.9034000167
  H        16.2713709007        2.3912708890       10.0865176118
  O        13.9205614745        0.0004278229        9.4631592977
  H        14.4584188054        0.7941071927        9.7334230439
  H        14.4566568476       -0.7958991406        9.7337740460
  O        11.1000429056       -0.0009139639        9.9039947598
  H        11.1097301666        0.0017525413        8.9012764562
  H        12.0690034763       -0.0031467466       10.0905828149
  O        13.9135183717        9.6672273007        9.5458346464
  H        14.4399747326       10.4678424459        9.8104633107
  H        14.4613355850        8.8764440849        9.8027293278
  O        15.3013770458       12.0699143814        9.9061018785
  H        15.3057152843       12.0647516201        8.9032303390
  H        16.2732969042       12.0676174356       10.0860581667
  O        18.1067697725       12.0895669305        9.4661130538
  H        18.6383797779       12.8856637634        9.7402379922
  H        18.6451582935       11.2988889814        9.7379100119
  O        19.5013571035        9.6717484400        9.9044706121
  H        19.5072591637        9.6715430221        8.8989844203
  H        20.4769854252        9.6768453288       10.0788962040
  O        18.1075037279        7.2533356318        9.4648802130
  H        18.6457669333        8.0434364936        9.7369097394
  H        18.6399267056        6.4566304125        9.7389472217
  O        15.3024314756        7.2742284211        9.9075276507
  H        15.3016219733        7.2673216177        8.9049325148
  H        16.2741671427        7.2767223617       10.0844700684
     217
 i =       17, E =    -17723.0193386437
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0123488972        1.6139587744        4.5276109755
 Pt         2.7874962352        1.6207600073        4.5267918958
 Pt         5.5802679115        1.6009865894        4.5248924689
 Pt         8.3855808793        1.6093397653        4.5172888201
 Pt        11.1647013591        1.6156935297        4.5193243226
 Pt        13.9574769898        1.6002118618        4.5284055725
 Pt         1.3957911901        4.0205553722        4.5279290603
 Pt         4.2004700999        4.0322063661        4.5252126151
 Pt         6.9735537938        4.0360316609        4.5247154478
 Pt         9.7670310014        4.0222397845        4.5190122775
 Pt        12.5708234276        4.0263550734        4.5189796924
 Pt        15.3536412672        4.0366557664        4.5174523010
 Pt         2.7849789019        6.4565259270        4.5274216070
 Pt         5.5790205009        6.4396754156        4.5280653100
 Pt         8.3740133814        6.4440896334        4.5065867340
 Pt        11.1703118302        6.4479191858        4.5051313678
 Pt        13.9586639110        6.4424248267        4.5164496069
 Pt        16.7657083941        6.4496016933        4.5260069673
 Pt         4.1956559521        8.8658623060        4.5207465596
 Pt         6.9743949618        8.8710059521        4.5206553088
 Pt         9.7701852879        8.8682474839        4.5064272889
 Pt        12.5722622801        8.8685137826        4.5191824332
 Pt        15.3537044518        8.8756728505        4.5205987200
 Pt        18.1440092588        8.8556538711        4.5300953249
 Pt         5.5786414727       11.2759726373        4.5215745501
 Pt         8.3819483066       11.2847949634        4.5173527429
 Pt        11.1666234012       11.2908057150        4.5207601522
 Pt        13.9599246844       11.2772383518        4.5208164041
 Pt        16.7671761595       11.2853924245        4.5272804831
 Pt        19.5380795494       11.2928455964        4.5267888002
 Pt         6.9721220565       13.7129701426        4.5276057578
 Pt         9.7678860449       13.6946408112        4.5189313126
 Pt        12.5763478667       13.7019889805        4.5237873622
 Pt        15.3524463307       13.7083079409        4.5270164569
 Pt        18.1474160617       13.6893143417        4.5271099002
 Pt        20.9532279677       13.7032680092        4.5305494049
 Pt         0.0024997233       -0.0008742867        6.7837264526
 Pt         2.7945458919       -0.0027501922        6.7513050569
 Pt         5.5856105317       -0.0016777291        6.8603994020
 Pt         8.3792667786        0.0002151324        6.7819546086
 Pt        11.1705143147        0.0023011459        6.7568738573
 Pt        13.9636416564        0.0007992798        6.8770717179
 Pt         1.3983471950        2.4186746830        6.8654502608
 Pt         4.1903934834        2.4161599489        6.7842179468
 Pt         6.9836818797        2.4172078234        6.7502455009
 Pt         9.7729134080        2.4205692574        6.8261723674
 Pt        12.5639700688        2.4218269363        6.7809133337
 Pt        15.3568445274        2.4207003158        6.7536632636
 Pt         2.7947463869        4.8358960628        6.7576961606
 Pt         5.5855503976        4.8347631181        6.8568837787
 Pt         8.3793380821        4.8409984525        6.7844258615
 Pt        11.1634922002        4.8405934900        6.7610676226
 Pt        13.9577054062        4.8365377245        6.8229713447
 Pt        16.7499074310        4.8370588386        6.7819565861
 Pt         4.1908088558        7.2525171030        6.7832307279
 Pt         6.9911539631        7.2522849773        6.7633789615
 Pt         9.7686072757        7.2533028080        6.7738671071
 Pt        12.5544083699        7.2522105928        6.7750578251
 Pt        15.3528368966        7.2528061116        6.7492146707
 Pt        18.1485945817        7.2521129960        6.8707726182
 Pt         5.5885013903        9.6696051703        6.8373420414
 Pt         8.3822041575        9.6675250606        6.7804497021
 Pt        11.1619666859        9.6671693824        6.7637304123
 Pt        13.9549836286        9.6685232423        6.8327557938
 Pt        16.7490017533        9.6705792764        6.7867816531
 Pt        19.5473594069        9.6715523105        6.7540220256
 Pt         6.9856482577       12.0885550556        6.7500876374
 Pt         9.7742480409       12.0880331325        6.8266848880
 Pt        12.5622064495       12.0858368637        6.7809982700
 Pt        15.3570444315       12.0855548961        6.7551117686
 Pt        18.1501576418       12.0884843206        6.8696180676
 Pt        20.9429152662       12.0891141458        6.7858907680
  O         1.3521664974        2.4214402727        9.4649066261
  H         1.8864843717        3.2177456501        9.7371058049
  H         1.8921928640        1.6311249737        9.7343962863
  O         2.7180541866        4.8358642341        9.9027983491
  H         2.7310949528        4.8356562034        8.8989455661
  H         3.6914237669        4.8311280730       10.0880396479
  O         5.5358220417        4.8279954745        9.4654397614
  H         6.0549856909        5.6271603609        9.7372562138
  H         6.0768680309        4.0359788397        9.7383071075
  O         6.9218125743        2.4418783901        9.9033019661
  H         6.9298781375        2.4382721865        8.8999499067
  H         7.8970684552        2.4266563578       10.0848992724
  O         5.5316171789       -0.0004118776        9.4709092688
  H         6.0686001168        0.7940578747        9.7399018924
  H         6.0704920429       -0.7917178762        9.7394010300
  O         2.7519639728        0.0005189892        9.9029795752
  H         2.7522852783       -0.0044023993        8.8994150064
  H         3.7292331875        0.0024361919       10.0748585235
  O         5.5119864827        9.6812499738        9.4763458782
  H         6.0483115824       10.4718101400        9.7546188990
  H         6.0303869996        8.8837393738        9.7533259617
  O         6.9228906010       12.1132582823        9.9029217474
  H         6.9318005327       12.0981776469        8.9000088085
  H         7.8982361999       12.1257874375       10.0860831919
  O         9.7174770787       12.0922378332        9.5554755794
  H        10.2719957408       12.8825258618        9.7935191158
  H        10.2513674644       11.3040821445        9.8116391315
  O        11.1533915683        9.5028486447        9.9133242899
  H        11.1030373220        9.6119975442        8.9075752389
  H        12.1452145882        9.5572283346       10.0518572004
  O         9.9406705961        7.2530768825        9.8825025634
  H         9.7594266784        7.2556806456        8.8576044955
  H        10.5101838906        8.1495328222       10.0068763022
  H        10.5059052250        6.3464441801       10.0042690705
  O         6.8541332584        7.2322463927        9.9104353904
  H         6.9826294689        7.2423260618        8.9125146674
  H         7.7813389630        7.2359016469       10.2437990469
  O         9.7107391578        2.3877647803        9.5390104789
  H        10.2297895192        3.1804096338        9.7988907886
  H        10.2652586175        1.5992542406        9.7903140489
  O        11.1239695815        4.9996389845        9.9162004326
  H        11.0835927609        4.8988984824        8.9087837339
  H        12.1156694333        4.9531559560       10.0591937990
  O        13.8777529498        4.8412817784        9.5551624945
  H        14.4276295695        5.6276052422        9.8104812176
  H        14.4079157507        4.0417197121        9.8194919132
  O        15.2981340801        2.3938498993        9.9052147965
  H        15.3019072269        2.4172429930        8.9024745221
  H        16.2730984979        2.3900097914       10.0830857707
  O        13.9205239597        0.0000390900        9.4611475592
  H        14.4596101878        0.7942862689        9.7302740455
  H        14.4575101742       -0.7958418624        9.7305209469
  O        11.0966903606       -0.0010209019        9.9037710889
  H        11.1061720216        0.0019981178        8.8997695952
  H        12.0703220246       -0.0033469154       10.0873676677
  O        13.9118928406        9.6665253517        9.5484977206
  H        14.4403275861       10.4682709111        9.8113719359
  H        14.4627439187        8.8765018187        9.8029787073
  O        15.2991371943       12.0681878925        9.9055408854
  H        15.3023770653       12.0631876213        8.9024020863
  H        16.2746839787       12.0666633889       10.0825348602
  O        18.1066700702       12.0892674547        9.4642896560
  H        18.6390819962       12.8860506700        9.7374352824
  H        18.6462905807       11.2987829934        9.7349037603
  O        19.5004058850        9.6718047501        9.9027786099
  H        19.5045598786        9.6715256282        8.8987914435
  H        20.4783456251        9.6771067838       10.0748049604
  O        18.1074660356        7.2533056001        9.4630729375
  H        18.6470522868        8.0436350527        9.7338925746
  H        18.6405668830        6.4562893431        9.7360385956
  O        15.2999611704        7.2763318524        9.9071282367
  H        15.2980233024        7.2678657344        8.9041781726
  H        16.2758970929        7.2777491038       10.0808392916
     217
 i =       18, E =    -17723.0199542835
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0130242393        1.6139776021        4.5271910869
 Pt         2.7873419958        1.6214962393        4.5264370599
 Pt         5.5799522926        1.6008513497        4.5245856430
 Pt         8.3859522501        1.6092634264        4.5165546820
 Pt        11.1643283851        1.6159639627        4.5183342530
 Pt        13.9574220233        1.6001489101        4.5279302767
 Pt         1.3957421551        4.0200842137        4.5274975691
 Pt         4.2014783148        4.0325443762        4.5245818151
 Pt         6.9739505087        4.0364537142        4.5252218256
 Pt         9.7663617056        4.0225228701        4.5194175891
 Pt        12.5704480934        4.0263180408        4.5192169318
 Pt        15.3528760659        4.0372977218        4.5165978406
 Pt         2.7847999739        6.4567181762        4.5269793684
 Pt         5.5789316671        6.4397222941        4.5286746071
 Pt         8.3742376802        6.4439692906        4.5066042303
 Pt        11.1699849742        6.4479905694        4.5052399291
 Pt        13.9578278340        6.4425946944        4.5165826473
 Pt        16.7657904231        6.4493450472        4.5252925064
 Pt         4.1961533633        8.8657546351        4.5201528340
 Pt         6.9745308591        8.8712216476        4.5212213137
 Pt         9.7699944386        8.8679612166        4.5065960318
 Pt        12.5719003204        8.8679928780        4.5196215922
 Pt        15.3533714009        8.8760449240        4.5197347346
 Pt        18.1437942551        8.8549567347        4.5295252556
 Pt         5.5784367477       11.2754102633        4.5213372306
 Pt         8.3817331176       11.2840313109        4.5172447664
 Pt        11.1666108694       11.2904958084        4.5205858523
 Pt        13.9598214874       11.2768584937        4.5200458181
 Pt        16.7679488195       11.2852969216        4.5267772981
 Pt        19.5379344257       11.2934208285        4.5264347573
 Pt         6.9722355885       13.7133548791        4.5272076207
 Pt         9.7674854297       13.6937852193        4.5179757992
 Pt        12.5765007505       13.7018611038        4.5229845222
 Pt        15.3519953058       13.7087854572        4.5263752344
 Pt        18.1472840309       13.6886439807        4.5266841440
 Pt        20.9541994652       13.7033822128        4.5299687862
 Pt         0.0028108302       -0.0010528782        6.7830912002
 Pt         2.7941182299       -0.0029059519        6.7483614412
 Pt         5.5851604050       -0.0018601913        6.8615224613
 Pt         8.3790446425        0.0001955246        6.7807851153
 Pt        11.1704616885        0.0025335937        6.7541934847
 Pt        13.9638309025        0.0008490452        6.8784721375
 Pt         1.3980004778        2.4186891063        6.8679599890
 Pt         4.1904048129        2.4161599591        6.7835546627
 Pt         6.9837730325        2.4171408665        6.7487028123
 Pt         9.7728200308        2.4204776788        6.8269697112
 Pt        12.5635500305        2.4220334606        6.7807828100
 Pt        15.3567025673        2.4210459904        6.7511128508
 Pt         2.7947661909        4.8357278978        6.7552109826
 Pt         5.5852630875        4.8347022615        6.8592814456
 Pt         8.3795042932        4.8416626226        6.7863845232
 Pt        11.1630431418        4.8411526520        6.7607821527
 Pt        13.9573676105        4.8365677732        6.8243511834
 Pt        16.7495302225        4.8368750362        6.7807794467
 Pt         4.1909446876        7.2526210007        6.7834021190
 Pt         6.9926244130        7.2516944314        6.7628707907
 Pt         9.7689199024        7.2533770219        6.7753697306
 Pt        12.5538596500        7.2518940894        6.7763300711
 Pt        15.3522930316        7.2529440253        6.7474992566
 Pt        18.1481009897        7.2519041711        6.8719713588
 Pt         5.5882693619        9.6694735259        6.8396853520
 Pt         8.3828214236        9.6668082198        6.7818439332
 Pt        11.1610170602        9.6670689011        6.7636808242
 Pt        13.9548029462        9.6684113190        6.8336488189
 Pt        16.7488128446        9.6702344752        6.7858968504
 Pt        19.5473051282        9.6713915220        6.7514236304
 Pt         6.9856673610       12.0883827737        6.7485643016
 Pt         9.7740838227       12.0876475251        6.8271189111
 Pt        12.5619348948       12.0853543992        6.7806085997
 Pt        15.3565899074       12.0852939380        6.7525053306
 Pt        18.1498723647       12.0883644098        6.8722359868
 Pt        20.9431324341       12.0891257421        6.7852107482
  O         1.3515708221        2.4221209961        9.4641393784
  H         1.8858013372        3.2178802494        9.7349963317
  H         1.8938614530        1.6309646756        9.7319500924
  O         2.7165247300        4.8357510281        9.9017249351
  H         2.7260674095        4.8356702384        8.8971439491
  H         3.6937853061        4.8305946099       10.0822110504
  O         5.5331406850        4.8259319856        9.4657747562
  H         6.0536011734        5.6283780441        9.7333040276
  H         6.0769230060        4.0359939229        9.7350345750
  O         6.9205891647        2.4443781830        9.9016432739
  H         6.9253483256        2.4394329772        8.8979650899
  H         7.8995166047        2.4258702169       10.0793162827
  O         5.5301674822        0.0003325063        9.4711601834
  H         6.0686022940        0.7934187645        9.7376321240
  H         6.0713408243       -0.7915147082        9.7374465855
  O         2.7518680891        0.0006637637        9.9013669953
  H         2.7470092437       -0.0057786499        8.8981614062
  H         3.7314655319        0.0029465377       10.0688887284
  O         5.5082855842        9.6825826289        9.4770629789
  H         6.0475269952       10.4712621554        9.7523627967
  H         6.0284037451        8.8829099654        9.7508022405
  O         6.9213750671       12.1159542808        9.9014149043
  H         6.9273726108       12.0981714334        8.8980340057
  H         7.9004196628       12.1283211813       10.0810805947
  O         9.7172744550       12.0899119096        9.5591602144
  H        10.2727391206       12.8831687878        9.7973962596
  H        10.2499617022       11.3058907844        9.8160942129
  O        11.1587501455        9.4877208517        9.9123928155
  H        11.0966485025        9.6045996640        8.9053067401
  H        12.1541260879        9.5470647267       10.0415646970
  O         9.9592003068        7.2559192069        9.8954498368
  H         9.7621968616        7.2558425814        8.8780513853
  H        10.5314090927        8.1509980499       10.0188878290
  H        10.5267079831        6.3425841468       10.0162208021
  O         6.8520415720        7.2301054992        9.9107968698
  H         6.9831361860        7.2417518576        8.9124614270
  H         7.7672641314        7.2342049383       10.2528835841
  O         9.7090404840        2.3867997508        9.5463531911
  H        10.2302199416        3.1788921944        9.8028192670
  H        10.2642567008        1.5976403919        9.7935096482
  O        11.1294489301        5.0113310877        9.9163326613
  H        11.0764556299        4.9059726282        8.9067575448
  H        12.1218007146        4.9627560294       10.0477060615
  O        13.8740403053        4.8406880049        9.5627638342
  H        14.4282889847        5.6278311040        9.8120855936
  H        14.4040610227        4.0425586715        9.8221411849
  O        15.2966633799        2.3911491177        9.9045051865
  H        15.2960071776        2.4193769591        8.9015025123
  H        16.2753290357        2.3877768052       10.0776174303
  O        13.9208443273       -0.0002598955        9.4585622978
  H        14.4604162830        0.7947572684        9.7277811648
  H        14.4578943511       -0.7962336823        9.7279380024
  O        11.0953558130       -0.0013303642        9.9032413633
  H        11.1009006472        0.0028708174        8.8981677969
  H        12.0729429115       -0.0038740453       10.0816929495
  O        13.9090133564        9.6655320658        9.5536330667
  H        14.4377668663       10.4693757677        9.8140606653
  H        14.4633397519        8.8759240233        9.8042045099
  O        15.2983007307       12.0657088639        9.9048325550
  H        15.2966142459       12.0597599951        8.9015079315
  H        16.2768762721       12.0658975768       10.0768048045
  O        18.1064895135       12.0889375220        9.4634326363
  H        18.6389721844       12.8858505308        9.7352740042
  H        18.6481835589       11.2982057567        9.7326228367
  O        19.5000078779        9.6719324011        9.9000757590
  H        19.4993646390        9.6715012919        8.8975790891
  H        20.4803762160        9.6776513799       10.0686014172
  O        18.1073719937        7.2533775182        9.4622001536
  H        18.6490817056        8.0441984264        9.7315846229
  H        18.6402996997        6.4564667671        9.7337874839
  O        15.2989676102        7.2790052059        9.9068622416
  H        15.2914913443        7.2684404541        8.9036824156
  H        16.2785961870        7.2789909447       10.0748728033
     217
 i =       19, E =    -17723.0204204480
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0138239107        1.6139934496        4.5271489491
 Pt         2.7870891422        1.6224184082        4.5264623195
 Pt         5.5795813572        1.6007796382        4.5247393307
 Pt         8.3863960085        1.6093462697        4.5164197165
 Pt        11.1637790630        1.6165506334        4.5178445459
 Pt        13.9571893422        1.6001987370        4.5277614128
 Pt         1.3955122368        4.0194705887        4.5274021777
 Pt         4.2027580392        4.0329501030        4.5243128245
 Pt         6.9743795483        4.0370519780        4.5265563622
 Pt         9.7655301823        4.0227912929        4.5206940883
 Pt        12.5700460471        4.0263495092        4.5203161865
 Pt        15.3517413675        4.0381955158        4.5162784574
 Pt         2.7846620049        6.4570210819        4.5268830747
 Pt         5.5788257338        6.4397670605        4.5300418967
 Pt         8.3743782682        6.4436737218        4.5067998451
 Pt        11.1698653833        6.4479902910        4.5055846103
 Pt        13.9567203941        6.4426149917        4.5176442618
 Pt        16.7656584915        6.4490286854        4.5248762130
 Pt         4.1969624981        8.8655843613        4.5201664705
 Pt         6.9746063171        8.8715728297        4.5227331521
 Pt         9.7696618240        8.8678538611        4.5069700559
 Pt        12.5714630752        8.8672901458        4.5209129522
 Pt        15.3527480167        8.8764138865        4.5193686859
 Pt        18.1435062028        8.8541642378        4.5291123176
 Pt         5.5782299473       11.2745766876        4.5217959416
 Pt         8.3815466505       11.2830950842        4.5179514611
 Pt        11.1664668659       11.2901530775        4.5210759174
 Pt        13.9594479200       11.2762072354        4.5197510536
 Pt        16.7687930187       11.2851590040        4.5266571730
 Pt        19.5377806762       11.2941178558        4.5264976392
 Pt         6.9724559512       13.7136626945        4.5271430449
 Pt         9.7669378125       13.6925694344        4.5174420483
 Pt        12.5766263222       13.7016120380        4.5225344011
 Pt        15.3514063421       13.7094072880        4.5259900983
 Pt        18.1469930744       13.6878594091        4.5266562883
 Pt        20.9552928227       13.7034694615        4.5295663124
 Pt         0.0031359177       -0.0013027275        6.7830306416
 Pt         2.7934496445       -0.0030866102        6.7453707749
 Pt         5.5844098119       -0.0020436274        6.8636835340
 Pt         8.3786065661        0.0001938539        6.7801301259
 Pt        11.1703178738        0.0027935624        6.7513841893
 Pt        13.9640814414        0.0009519288        6.8806590577
 Pt         1.3975008716        2.4186734989        6.8720379612
 Pt         4.1903098403        2.4162345335        6.7835020984
 Pt         6.9838268757        2.4170673107        6.7477306366
 Pt         9.7726440329        2.4204715536        6.8297070555
 Pt        12.5629305293        2.4222196409        6.7816780576
 Pt        15.3564746462        2.4214164406        6.7486196762
 Pt         2.7947148757        4.8355129996        6.7526560666
 Pt         5.5848374714        4.8346473736        6.8634359312
 Pt         8.3796629292        4.8423366584        6.7898323235
 Pt        11.1625568682        4.8417067084        6.7612016322
 Pt        13.9569293322        4.8365908201        6.8279819148
 Pt        16.7489918773        4.8366170143        6.7801096356
 Pt         4.1910929736        7.2528028119        6.7846426927
 Pt         6.9942390233        7.2510236557        6.7627185354
 Pt         9.7694219726        7.2534274674        6.7767848660
 Pt        12.5534438198        7.2515128904        6.7790719250
 Pt        15.3516547979        7.2531211597        6.7463714662
 Pt        18.1474842272        7.2515574029        6.8739749375
 Pt         5.5879995862        9.6692106812        6.8442430252
 Pt         8.3833865323        9.6659748348        6.7846489065
 Pt        11.1600286436        9.6670683336        6.7640736646
 Pt        13.9545360932        9.6682855040        6.8363595148
 Pt        16.7485613655        9.6697983647        6.7854138511
 Pt        19.5470924984        9.6711495453        6.7487067055
 Pt         6.9855527068       12.0880960507        6.7476195801
 Pt         9.7738134163       12.0871455035        6.8294698940
 Pt        12.5615740022       12.0847751526        6.7811167414
 Pt        15.3558863938       12.0851031623        6.7498453277
 Pt        18.1494515432       12.0882156845        6.8763360935
 Pt        20.9433118517       12.0891428889        6.7850957227
  O         1.3511291046        2.4221540080        9.4642851206
  H         1.8844759022        3.2181657818        9.7344538843
  H         1.8952292493        1.6310645423        9.7307193429
  O         2.7169559529        4.8356171064        9.9003244944
  H         2.7212293316        4.8357001397        8.8959217586
  H         3.6961338285        4.8299529232       10.0751419016
  O         5.5291712767        4.8230936404        9.4671486393
  H         6.0517135929        5.6301835529        9.7302191287
  H         6.0766700182        4.0360790735        9.7329247574
  O         6.9206886011        2.4465789770        9.8995765557
  H         6.9209278961        2.4404528495        8.8962842653
  H         7.9017278517        2.4245305394       10.0727991838
  O         5.5287473389        0.0007670822        9.4724816729
  H         6.0683422736        0.7929304011        9.7367315908
  H         6.0718778156       -0.7911116069        9.7368219585
  O         2.7521579050        0.0007926968        9.8997717119
  H         2.7411638840       -0.0077534326        8.8971769294
  H         3.7332466084        0.0036240567       10.0621491456
  O         5.5050597765        9.6839322343        9.4787045159
  H         6.0467102763       10.4702827224        9.7509660244
  H         6.0260930274        8.8818219728        9.7489510156
  O         6.9212808853       12.1184622237        9.8996461102
  H         6.9230562081       12.0978874112        8.8964079274
  H         7.9019411311       12.1307838220       10.0753039849
  O         9.7174083246       12.0894679828        9.5619527270
  H        10.2720428144       12.8829045048        9.8032338951
  H        10.2487583437       11.3066407856        9.8231254633
  O        11.1665668975        9.4714497584        9.9099063808
  H        11.0902413279        9.5954052156        8.9043400757
  H        12.1639144063        9.5354481070       10.0290244774
  O         9.9783872524        7.2547781958        9.9111082550
  H         9.7665927632        7.2564301417        8.8971035115
  H        10.5562563764        8.1527820442       10.0311837965
  H        10.5495723809        6.3402954667       10.0285880939
  O         6.8462313076        7.2278982873        9.9106194401
  H         6.9848965830        7.2413165505        8.9124483116
  H         7.7545368046        7.2323077622       10.2653427599
  O         9.7075611616        2.3864272515        9.5546958063
  H        10.2315620756        3.1775536083        9.8092131741
  H        10.2622879488        1.5961306562        9.7991025663
  O        11.1363019160        5.0251378193        9.9142031656
  H        11.0694970571        4.9143488629        8.9060228981
  H        12.1313867568        4.9731485516       10.0338534206
  O        13.8701671241        4.8412412299        9.5703746197
  H        14.4291550751        5.6277421433        9.8143711148
  H        14.3997632003        4.0429075010        9.8261558831
  O        15.2965791648        2.3886462313        9.9038205802
  H        15.2896828623        2.4225930122        8.9012525608
  H        16.2769406531        2.3854117100       10.0712353561
  O        13.9213700879       -0.0002259389        9.4559602193
  H        14.4606032252        0.7949626323        9.7265958513
  H        14.4577826017       -0.7966714424        9.7267423721
  O        11.0960979280       -0.0017146507        9.9024074067
  H        11.0957326040        0.0041441088        8.8974192540
  H        12.0754535080       -0.0045434083       10.0748286635
  O        13.9056937534        9.6646482640        9.5586457289
  H        14.4333532716       10.4700083762        9.8178475096
  H        14.4631062501        8.8756600872        9.8061897519
  O        15.2987457653       12.0632328377        9.9042463902
  H        15.2904659973       12.0555434948        8.9011874746
  H        16.2786604445       12.0654523772       10.0701299691
  O        18.1066660003       12.0883340720        9.4634836113
  H        18.6382508660       12.8853499204        9.7344998144
  H        18.6500266038       11.2974509224        9.7317376404
  O        19.5001631338        9.6721136391        9.8977717111
  H        19.4936671202        9.6714692033        8.8958242578
  H        20.4818077827        9.6782783771       10.0614603377
  O        18.1075545402        7.2539513315        9.4622956996
  H        18.6510001096        8.0447923336        9.7306462316
  H        18.6393843696        6.4568341891        9.7329945805
  O        15.2995713824        7.2815319517        9.9068230702
  H        15.2843443177        7.2688450512        8.9039601408
  H        16.2807868407        7.2800767008       10.0678350719
     217
 i =       20, E =    -17723.0208876882
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0143317943        1.6142447631        4.5270534394
 Pt         2.7866502337        1.6230230287        4.5264037150
 Pt         5.5794954048        1.6006946894        4.5252154596
 Pt         8.3863774287        1.6100140148        4.5169231530
 Pt        11.1631200758        1.6176921963        4.5183363174
 Pt        13.9566278585        1.6003572296        4.5277608578
 Pt         1.3950448790        4.0188541702        4.5272070016
 Pt         4.2033372516        4.0330729074        4.5241327187
 Pt         6.9739184395        4.0381226832        4.5280956020
 Pt         9.7648799685        4.0222480391        4.5215678701
 Pt        12.5700727553        4.0267822295        4.5211718803
 Pt        15.3507813126        4.0387291899        4.5166936013
 Pt         2.7844912296        6.4575624068        4.5270490886
 Pt         5.5789686125        6.4393985243        4.5313397003
 Pt         8.3757708986        6.4438044598        4.5069214704
 Pt        11.1692156710        6.4485738871        4.5062298996
 Pt        13.9559704996        6.4414640192        4.5190181928
 Pt        16.7649767160        6.4490766732        4.5246361561
 Pt         4.1981816564        8.8652061160        4.5209198261
 Pt         6.9738843390        8.8723111369        4.5243681321
 Pt         9.7691444439        8.8667735516        4.5072495160
 Pt        12.5714579044        8.8668238672        4.5215771795
 Pt        15.3515370125        8.8762329295        4.5198618676
 Pt        18.1433790387        8.8541288436        4.5279956585
 Pt         5.5782910237       11.2735406960        4.5231117092
 Pt         8.3818400900       11.2825627297        4.5188415121
 Pt        11.1655433235       11.2902512524        4.5213555194
 Pt        13.9584878047       11.2751588499        4.5201182989
 Pt        16.7691681237       11.2852167572        4.5266102800
 Pt        19.5378165689       11.2944175503        4.5266717989
 Pt         6.9724844749       13.7134161081        4.5270997873
 Pt         9.7665105057       13.6917087367        4.5172515958
 Pt        12.5768290892       13.7012488355        4.5224509668
 Pt        15.3512942308       13.7095584106        4.5253273339
 Pt        18.1467082814       13.6872897740        4.5267644794
 Pt        20.9554593250       13.7033449400        4.5285842792
 Pt         0.0034622515       -0.0018262702        6.7820998429
 Pt         2.7924302141       -0.0035779639        6.7430708088
 Pt         5.5829785239       -0.0022068569        6.8665948159
 Pt         8.3777314567        0.0004136239        6.7793296090
 Pt        11.1700323217        0.0030005673        6.7487023616
 Pt        13.9643885856        0.0013267153        6.8839045791
 Pt         1.3969936109        2.4185697961        6.8777222409
 Pt         4.1900786377        2.4166168457        6.7830547231
 Pt         6.9838361832        2.4167921130        6.7476150311
 Pt         9.7721746442        2.4209242765        6.8356075604
 Pt        12.5619497940        2.4223939305        6.7832032179
 Pt        15.3558689292        2.4218357308        6.7469348279
 Pt         2.7943754143        4.8353468696        6.7500237348
 Pt         5.5840539375        4.8343373122        6.8707926430
 Pt         8.3798410652        4.8428455673        6.7914675535
 Pt        11.1624105271        4.8418101341        6.7598619110
 Pt        13.9560712081        4.8366139961        6.8345244922
 Pt        16.7479414848        4.8363638930        6.7792725198
 Pt         4.1915066650        7.2532320122        6.7862957590
 Pt         6.9952603311        7.2503260197        6.7613981452
 Pt         9.7690502640        7.2532998040        6.7845094140
 Pt        12.5533819968        7.2509816343        6.7800112341
 Pt        15.3508781317        7.2532470379        6.7466386840
 Pt        18.1471989191        7.2508736343        6.8768208120
 Pt         5.5879879362        9.6684746619        6.8520127653
 Pt         8.3838748193        9.6652930702        6.7860043627
 Pt        11.1594111166        9.6672602649        6.7617025310
 Pt        13.9536292843        9.6680784255        6.8421082233
 Pt        16.7480309092        9.6691923927        6.7840987728
 Pt        19.5463924378        9.6704539367        6.7464530799
 Pt         6.9849361541       12.0872669156        6.7475525546
 Pt         9.7732936410       12.0868029336        6.8353435874
 Pt        12.5613259480       12.0839678057        6.7820020130
 Pt        15.3544812079       12.0854526677        6.7477058147
 Pt        18.1489387370       12.0879497382        6.8819047171
 Pt        20.9434926292       12.0892097892        6.7847216935
  O         1.3519285034        2.4213903844        9.4646421835
  H         1.8821834999        3.2189117541        9.7363549548
  H         1.8961314094        1.6314384082        9.7312564125
  O         2.7179302259        4.8355237394        9.8993027487
  H         2.7165951637        4.8357724945        8.8957480549
  H         3.6980987355        4.8289677827       10.0645893218
  O         5.5264830700        4.8251783664        9.4680786984
  H         6.0453966683        5.6269685841        9.7279023690
  H         6.0773241559        4.0359079564        9.7343308209
  O         6.9222017807        2.4477655386        9.8983311996
  H         6.9169606878        2.4410589502        8.8953471353
  H         7.9023554026        2.4227688314       10.0630396983
  O         5.5288813936       -0.0001905689        9.4733719994
  H         6.0670581860        0.7938821509        9.7378102221
  H         6.0708633159       -0.7906199490        9.7378326425
  O         2.7515519894        0.0009538035        9.8995287501
  H         2.7348170378       -0.0111604534        8.8975110713
  H         3.7335911954        0.0046186847       10.0518898301
  O         5.5045591557        9.6810053191        9.4784612722
  H         6.0475761406       10.4704336464        9.7518917739
  H         6.0214880744        8.8822703895        9.7475392509
  O         6.9217486033       12.1221436450        9.8988249092
  H         6.9194028935       12.0968436136        8.8959055401
  H         7.9019882707       12.1324432090       10.0665221871
  O         9.7203128781       12.0881428777        9.5606519486
  H        10.2697003174       12.8820931564        9.8119285046
  H        10.2452978326       11.3086327294        9.8332624865
  O        11.1813846551        9.4610717054        9.9095232480
  H        11.0850073741        9.5816413353        8.9069952663
  H        12.1766653370        9.5190530055       10.0096210190
  O         9.9991937371        7.2500555438        9.9251033933
  H         9.7749580965        7.2569618832        8.9244753189
  H        10.5878328127        8.1514076962       10.0449644544
  H        10.5772086269        6.3417704053       10.0429473445
  O         6.8415369137        7.2247794247        9.9120629000
  H         6.9896018606        7.2413146136        8.9139925644
  H         7.7396661186        7.2298885038       10.2828930415
  O         9.7078753995        2.3880744506        9.5592559513
  H        10.2338567962        3.1748935558        9.8197828251
  H        10.2595303994        1.5950455007        9.8091518882
  O        11.1540796461        5.0380894013        9.9113504234
  H        11.0619561617        4.9255052613        8.9074048574
  H        12.1440353808        4.9862838945       10.0145699606
  O        13.8687432612        4.8440179743        9.5768863962
  H        14.4293584413        5.6263475203        9.8178951420
  H        14.3940081507        4.0428014257        9.8327324819
  O        15.2965391513        2.3853715507        9.9043638842
  H        15.2829767359        2.4280327680        8.9025653719
  H        16.2772049288        2.3833151263       10.0615275938
  O        13.9221827727       -0.0002668133        9.4518584248
  H        14.4602256522        0.7940217013        9.7269609600
  H        14.4569042692       -0.7959421632        9.7270546575
  O        11.0974231326       -0.0021367344        9.9019882728
  H        11.0906754833        0.0063391109        8.8981228566
  H        12.0774992168       -0.0054138385       10.0644914919
  O        13.9007029315        9.6634321440        9.5622643848
  H        14.4269294833       10.4680978116        9.8237248799
  H        14.4620176454        8.8782313141        9.8094581528
  O        15.2985974744       12.0605311376        9.9045634900
  H        15.2837763550       12.0499171633        8.9023778151
  H        16.2797402273       12.0652601746       10.0603834059
  O        18.1084947933       12.0862055789        9.4637236003
  H        18.6371938532       12.8849348462        9.7359894258
  H        18.6513560868       11.2966840013        9.7328322326
  O        19.4994748414        9.6724190394        9.8962815614
  H        19.4876155688        9.6713959283        8.8945907718
  H        20.4821890910        9.6790814783       10.0506250065
  O        18.1090713623        7.2560100383        9.4629711714
  H        18.6524705627        8.0453089735        9.7316785763
  H        18.6378533302        6.4570772500        9.7345806608
  O        15.2996317382        7.2842564582        9.9079568367
  H        15.2764154374        7.2688583684        8.9058267844
  H        16.2825957479        7.2809037592       10.0573516448
     217
 i =       21, E =    -17723.0214286820
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0142463540        1.6143822255        4.5277862563
 Pt         2.7863810216        1.6230736535        4.5270815532
 Pt         5.5796141832        1.6008042482        4.5261747077
 Pt         8.3861970832        1.6106974372        4.5183322184
 Pt        11.1627132966        1.6185502473        4.5198364732
 Pt        13.9560816737        1.6005416086        4.5285357729
 Pt         1.3945623929        4.0187027461        4.5277945222
 Pt         4.2034303281        4.0331370195        4.5249887952
 Pt         6.9734513273        4.0388121560        4.5298128479
 Pt         9.7646969054        4.0218179932        4.5228498514
 Pt        12.5701587245        4.0271872063        4.5224406045
 Pt        15.3501780635        4.0388562541        4.5180747964
 Pt         2.7845569495        6.4579235173        4.5278481120
 Pt         5.5792281832        6.4391009826        4.5327171213
 Pt         8.3765261160        6.4438900800        4.5076400963
 Pt        11.1689842256        6.4488880123        4.5072397275
 Pt        13.9556380371        6.4405617155        4.5207367168
 Pt        16.7642604794        6.4492898623        4.5253645841
 Pt         4.1989765405        8.8649509969        4.5225080488
 Pt         6.9733593177        8.8726368770        4.5261297299
 Pt         9.7687269880        8.8661764113        4.5079448054
 Pt        12.5715452144        8.8666184897        4.5226090780
 Pt        15.3506184569        8.8758067163        4.5212933058
 Pt        18.1433232918        8.8544070378        4.5278742691
 Pt         5.5784656772       11.2729254038        4.5248637722
 Pt         8.3821834997       11.2824014600        4.5204291459
 Pt        11.1647635985       11.2903833904        4.5223262063
 Pt        13.9576604118       11.2743872553        4.5213523753
 Pt        16.7689300838       11.2852780636        4.5274390509
 Pt        19.5379223739       11.2943192576        4.5275346347
 Pt         6.9723986803       13.7128988043        4.5277814136
 Pt         9.7663684369       13.6912648220        4.5182232690
 Pt        12.5767941624       13.7009330134        4.5233021491
 Pt        15.3513208286       13.7094380896        4.5256071095
 Pt        18.1464442137       13.6872745233        4.5275981131
 Pt        20.9551354908       13.7032153422        4.5286833225
 Pt         0.0033916334       -0.0021235748        6.7824320119
 Pt         2.7918020300       -0.0038662013        6.7436482228
 Pt         5.5818997121       -0.0022167399        6.8682753964
 Pt         8.3770446494        0.0005726655        6.7800372929
 Pt        11.1697131526        0.0030079461        6.7486893756
 Pt        13.9644554421        0.0016180785        6.8856169368
 Pt         1.3967074240        2.4184894307        6.8809556731
 Pt         4.1896943797        2.4168685481        6.7838005598
 Pt         6.9836629578        2.4167185634        6.7491386016
 Pt         9.7717910798        2.4212960844        6.8403404633
 Pt        12.5613361636        2.4224313010        6.7851704953
 Pt        15.3553882116        2.4219084583        6.7478117907
 Pt         2.7939619082        4.8352898190        6.7499445799
 Pt         5.5835495163        4.8341709223        6.8755617754
 Pt         8.3798361512        4.8427441914        6.7930306622
 Pt        11.1623189121        4.8414939549        6.7601414689
 Pt        13.9555342360        4.8365797616        6.8393848262
 Pt        16.7472364659        4.8362789843        6.7800195290
 Pt         4.1916837865        7.2533910510        6.7882308831
 Pt         6.9951471647        7.2501275644        6.7619649036
 Pt         9.7688598132        7.2531849365        6.7883441704
 Pt        12.5536347900        7.2508349573        6.7814834847
 Pt        15.3504795933        7.2531871697        6.7485740224
 Pt        18.1471681700        7.2503433165        6.8782553468
 Pt         5.5880285437        9.6679166809        6.8574880432
 Pt         8.3837324956        9.6651258154        6.7876999271
 Pt        11.1594272704        9.6673356130        6.7611200277
 Pt        13.9530121434        9.6679752087        6.8464099926
 Pt        16.7475551871        9.6689191952        6.7841696119
 Pt        19.5457989652        9.6700000341        6.7467773353
 Pt         6.9844683832       12.0866557543        6.7491129306
 Pt         9.7729304847       12.0866605624        6.8401877933
 Pt        12.5610255576       12.0836031734        6.7835391735
 Pt        15.3535540824       12.0858149291        6.7481237671
 Pt        18.1485997288       12.0877987701        6.8849028125
 Pt        20.9433430391       12.0892204938        6.7854909658
  O         1.3523323004        2.4207464180        9.4657254774
  H         1.8803576400        3.2193974881        9.7403125475
  H         1.8963539863        1.6312848923        9.7343464902
  O         2.7198688450        4.8354857719        9.8989576631
  H         2.7153551663        4.8358455448        8.8960222710
  H         3.6993845261        4.8283967034       10.0588787247
  O         5.5241852339        4.8207711944        9.4684989975
  H         6.0428955981        5.6282212709        9.7301945212
  H         6.0759677409        4.0378255416        9.7375300035
  O         6.9226477586        2.4465585345        9.8976719496
  H         6.9160097211        2.4408474984        8.8951642534
  H         7.9034941404        2.4215971970       10.0582713957
  O         5.5292136497        0.0002981317        9.4742447875
  H         6.0655143982        0.7944956739        9.7409412212
  H         6.0701699876       -0.7913226335        9.7412489808
  O         2.7508544830        0.0009518466        9.9000524681
  H         2.7316539506       -0.0137221997        8.8981059946
  H         3.7331669224        0.0052348533       10.0468414281
  O         5.5061781044        9.6837816495        9.4777328153
  H         6.0472711977       10.4684427718        9.7540380860
  H         6.0206340565        8.8794796928        9.7495810349
  O         6.9222793461       12.1220017149        9.8985607140
  H         6.9186004648       12.0959433908        8.8961585118
  H         7.9020857946       12.1325121380       10.0622782459
  O         9.7215358026       12.0905675151        9.5570996834
  H        10.2667818560       12.8809709212        9.8182310905
  H        10.2445223845       11.3070308733        9.8413693716
  O        11.1888043548        9.4602720485        9.9099159093
  H        11.0843820727        9.5732456165        8.9100831976
  H        12.1889533207        9.5112996119        9.9984473596
  O        10.0088124343        7.2502669783        9.9343916747
  H         9.7818102237        7.2568115081        8.9312339932
  H        10.6012152093        8.1485311470       10.0478407726
  H        10.5889992168        6.3435942549       10.0462313534
  O         6.8349509045        7.2246264563        9.9105256147
  H         6.9949207339        7.2415815686        8.9170235837
  H         7.7384975913        7.2285867408       10.2950856031
  O         9.7103102758        2.3886532604        9.5586604699
  H        10.2361510800        3.1740484269        9.8281601763
  H        10.2561952573        1.5962150427        9.8168688393
  O        11.1617402878        5.0396112084        9.9094998141
  H        11.0604312127        4.9318784893        8.9095219408
  H        12.1606520114        4.9914241516       10.0037200096
  O        13.8692311392        4.8449898398        9.5775129897
  H        14.4307879702        5.6268441957        9.8214165664
  H        14.3909018421        4.0422267340        9.8380085412
  O        15.2969332135        2.3856860691        9.9048618066
  H        15.2800661356        2.4319854930        8.9041338316
  H        16.2772229629        2.3825571430       10.0566275368
  O        13.9222470066        0.0000069726        9.4494677392
  H        14.4592068630        0.7932694980        9.7294535621
  H        14.4557330708       -0.7954976605        9.7296023620
  O        11.0993900782       -0.0022188743        9.9021275440
  H        11.0891529234        0.0080266384        8.8990132093
  H        12.0788925710       -0.0059365211       10.0588895296
  O        13.8980585351        9.6627440517        9.5610609344
  H        14.4216410804       10.4664261517        9.8281607518
  H        14.4604183900        8.8799009088        9.8122641813
  O        15.2994260000       12.0606971933        9.9053486954
  H        15.2808262846       12.0465456590        8.9034888599
  H        16.2797722226       12.0655339518       10.0554125495
  O        18.1097140953       12.0853630007        9.4647483973
  H        18.6360598518       12.8842032028        9.7394629329
  H        18.6520792962       11.2953346778        9.7364871210
  O        19.4992141645        9.6726317600        9.8962272412
  H        19.4847734358        9.6713362942        8.8935777271
  H        20.4816000913        9.6794585258       10.0450485054
  O        18.1098777606        7.2570726251        9.4644479788
  H        18.6531845920        8.0463117217        9.7353055100
  H        18.6363856245        6.4576160447        9.7382921688
  O        15.3010540921        7.2837965673        9.9090878680
  H        15.2727252801        7.2685290901        8.9074835316
  H        16.2827902282        7.2810115038       10.0517771569
     217
 i =       22, E =    -17723.0217319144
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0136529150        1.6144737531        4.5284867535
 Pt         2.7862692833        1.6225568515        4.5276900146
 Pt         5.5799120842        1.6008708845        4.5268838692
 Pt         8.3858443759        1.6112652222        4.5196586930
 Pt        11.1625987795        1.6189347070        4.5214300049
 Pt        13.9557353127        1.6005578393        4.5293596123
 Pt         1.3942530501        4.0189500672        4.5283832208
 Pt         4.2027456157        4.0329913249        4.5259448079
 Pt         6.9727374260        4.0390168393        4.5305297707
 Pt         9.7649816918        4.0212983240        4.5231479809
 Pt        12.5705666173        4.0274452436        4.5228837705
 Pt        15.3503078687        4.0383855661        4.5194788237
 Pt         2.7846242998        6.4581007306        4.5285706232
 Pt         5.5794294668        6.4387317320        4.5331398806
 Pt         8.3770933682        6.4441723162        4.5082458718
 Pt        11.1687766573        6.4491909379        4.5079683166
 Pt        13.9560599406        6.4397708732        4.5215785662
 Pt        16.7638096765        6.4497098565        4.5262786534
 Pt         4.1992207901        8.8648547165        4.5239229922
 Pt         6.9728980980        8.8727020115        4.5267038175
 Pt         9.7685312552        8.8656398214        4.5083980418
 Pt        12.5719066559        8.8668207483        4.5226495353
 Pt        15.3501422583        8.8752385825        4.5227503693
 Pt        18.1434060024        8.8550717744        4.5280522405
 Pt         5.5787124252       11.2728376727        4.5261011467
 Pt         8.3825931735       11.2828856430        4.5214397919
 Pt        11.1641372088       11.2908061182        4.5228930606
 Pt        13.9571806037       11.2740613324        4.5226142788
 Pt        16.7682133186       11.2854217123        4.5282615800
 Pt        19.5380437850       11.2938226242        4.5282657856
 Pt         6.9720520031       13.7123118770        4.5284266572
 Pt         9.7665579184       13.6915829931        4.5194319030
 Pt        12.5767391781       13.7008374364        4.5243136663
 Pt        15.3516384387       13.7089805650        4.5260928053
 Pt        18.1463599754       13.6877128695        4.5283502769
 Pt        20.9542518187       13.7030755884        4.5290720871
 Pt         0.0030808323       -0.0022288053        6.7826903343
 Pt         2.7916584200       -0.0040069964        6.7459404907
 Pt         5.5813729766       -0.0020962750        6.8684894677
 Pt         8.3766824827        0.0007239909        6.7809910644
 Pt        11.1694844912        0.0028698840        6.7504204683
 Pt        13.9643162856        0.0017961692        6.8857864682
 Pt         1.3967185801        2.4183964385        6.8813155554
 Pt         4.1893586879        2.4170158612        6.7843960785
 Pt         6.9834103037        2.4167322092        6.7509680865
 Pt         9.7715763522        2.4215374499        6.8429185137
 Pt        12.5611819531        2.4223610134        6.7862884631
 Pt        15.3550708012        2.4217335236        6.7500516084
 Pt         2.7935990392        4.8353716725        6.7514287421
 Pt         5.5833488808        4.8340342803        6.8772502772
 Pt         8.3796934551        4.8423130526        6.7921380097
 Pt        11.1624749583        4.8409849914        6.7599384841
 Pt        13.9553247320        4.8365022898        6.8413249751
 Pt        16.7469156352        4.8363630372        6.7810529239
 Pt         4.1917199650        7.2533422386        6.7891206499
 Pt         6.9941595285        7.2502577233        6.7624545738
 Pt         9.7683901450        7.2530475358        6.7911471852
 Pt        12.5539977585        7.2509154585        6.7809522971
 Pt        15.3504979833        7.2529965163        6.7509202119
 Pt        18.1474969715        7.2500942567        6.8782578651
 Pt         5.5881760810        9.6676240757        6.8597107963
 Pt         8.3833412173        9.6654314057        6.7873371784
 Pt        11.1599066601        9.6672707498        6.7602902830
 Pt        13.9526739140        9.6679675958        6.8484552441
 Pt        16.7472194217        9.6689300978        6.7844574350
 Pt        19.5454311797        9.6697301713        6.7486722427
 Pt         6.9841434969       12.0863186382        6.7509651862
 Pt         9.7727685252       12.0868465525        6.8431006969
 Pt        12.5608992279       12.0836447136        6.7845085728
 Pt        15.3531545215       12.0861740596        6.7500843898
 Pt        18.1485417497       12.0877861033        6.8849751086
 Pt        20.9430734387       12.0891799983        6.7861601413
  O         1.3530199160        2.4202397771        9.4666769334
  H         1.8794012834        3.2194934913        9.7442019427
  H         1.8957959723        1.6311132699        9.7378728901
  O         2.7209987475        4.8355547634        9.8994479460
  H         2.7165746596        4.8359025965        8.8967368063
  H         3.6996085776        4.8281654558       10.0579114101
  O         5.5241484459        4.8210108733        9.4679942102
  H         6.0407555533        5.6273352481        9.7337009786
  H         6.0757708727        4.0379433240        9.7421999033
  O         6.9234934938        2.4444323399        9.8984064324
  H         6.9172846117        2.4400401062        8.8957998279
  H         7.9031145358        2.4212701151       10.0577610121
  O         5.5302874044       -0.0001473525        9.4741945026
  H         6.0644060721        0.7954616702        9.7443827346
  H         6.0689894962       -0.7917154488        9.7445853412
  O         2.7501952239        0.0009120762        9.9012932013
  H         2.7316040145       -0.0150611865        8.8992580750
  H         3.7320876895        0.0054294668       10.0463232846
  O         5.5091863167        9.6822475387        9.4764432484
  H         6.0485829397       10.4685617723        9.7572892710
  H         6.0202593162        8.8790050771        9.7519603738
  O         6.9229132495       12.1204578374        9.8994783498
  H         6.9199432980       12.0952393073        8.8971276427
  H         7.9015631994       12.1311363055       10.0619068442
  O         9.7232345817       12.0907096913        9.5533564501
  H        10.2649566717       12.8808664370        9.8206183746
  H        10.2434681441       11.3066289529        9.8440086081
  O        11.1920511529        9.4681157289        9.9122251003
  H        11.0873558182        9.5711053041        8.9129951137
  H        12.1944630717        9.5111737308        9.9951463509
  O        10.0073025708        7.2519602868        9.9354720918
  H         9.7852888737        7.2563558200        8.9255427794
  H        10.5993857051        8.1456005825       10.0439485453
  H        10.5868770564        6.3462668408       10.0425358776
  O         6.8363442755        7.2259200981        9.9129118093
  H         6.9993356517        7.2420893225        8.9186899817
  H         7.7405412139        7.2284534354       10.2974476437
  O         9.7133074112        2.3903481886        9.5541125862
  H        10.2372058047        3.1737114108        9.8319523412
  H        10.2546053375        1.5975079750        9.8207020635
  O        11.1655569534        5.0330672981        9.9105850899
  H        11.0631381242        4.9325868728        8.9110365900
  H        12.1695118734        4.9900210212       10.0010798648
  O        13.8718922523        4.8460790717        9.5737677368
  H        14.4316921413        5.6272311625        9.8233230729
  H        14.3907181267        4.0412339063        9.8407322717
  O        15.2973007634        2.3873799707        9.9059203478
  H        15.2805835353        2.4338713469        8.9053593160
  H        16.2766387786        2.3832588079       10.0559996798
  O        13.9222183433        0.0002108210        9.4485427331
  H        14.4580518510        0.7925679103        9.7321506119
  H        14.4545973249       -0.7949152900        9.7323615766
  O        11.1005409027       -0.0020932396        9.9028128498
  H        11.0902607610        0.0089557694        8.9000472627
  H        12.0790411869       -0.0060452585       10.0578719146
  O        13.8976021303        9.6624559275        9.5575005889
  H        14.4191646663       10.4650335490        9.8300194899
  H        14.4591655648        8.8810196665        9.8135954691
  O        15.2995256887       12.0620748120        9.9062845701
  H        15.2812242787       12.0458307268        8.9045702067
  H        16.2793093836       12.0660530671       10.0549228497
  O        18.1108110681       12.0845788801        9.4656796889
  H        18.6355774556       12.8838047105        9.7430926531
  H        18.6516299395       11.2946681609        9.7403142402
  O        19.4988602836        9.6726624108        9.8971563551
  H        19.4850195351        9.6712971968        8.8937650020
  H        20.4806864353        9.6794975991       10.0442375714
  O        18.1106076135        7.2578900318        9.4658111959
  H        18.6526956865        8.0468014769        9.7391705325
  H        18.6356114221        6.4580047807        9.7421616070
  O        15.3013861007        7.2820829024        9.9100397831
  H        15.2730315646        7.2679861091        8.9086170413
  H        16.2824565916        7.2804643808       10.0509214423
     217
 i =       23, E =    -17723.0219559715
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0126933142        1.6145350609        4.5296640375
 Pt         2.7860068356        1.6218397922        4.5287129358
 Pt         5.5802481243        1.6008307213        4.5278826655
 Pt         8.3855111792        1.6121550754        4.5216829338
 Pt        11.1621670761        1.6194660960        4.5237551886
 Pt        13.9551713090        1.6003237788        4.5307351521
 Pt         1.3937167323        4.0193314845        4.5293600919
 Pt         4.2018223056        4.0329319671        4.5275409046
 Pt         6.9716626109        4.0392761782        4.5318054205
 Pt         9.7651832143        4.0206920502        4.5236291380
 Pt        12.5712484792        4.0276473026        4.5236515187
 Pt        15.3503413248        4.0376163502        4.5215649747
 Pt         2.7845717285        6.4584570474        4.5295783983
 Pt         5.5795416704        6.4380466556        4.5340534486
 Pt         8.3778562900        6.4446232713        4.5095813210
 Pt        11.1682543795        6.4496677539        4.5093454033
 Pt        13.9566562747        6.4387119324        4.5228740417
 Pt        16.7633195291        6.4503831088        4.5277067257
 Pt         4.1997133036        8.8647586790        4.5261587660
 Pt         6.9723744260        8.8727300228        4.5276305444
 Pt         9.7681346058        8.8646774575        4.5094381737
 Pt        12.5723301569        8.8669250203        4.5226694362
 Pt        15.3492881897        8.8744547671        4.5248459231
 Pt        18.1433989464        8.8558953226        4.5284511666
 Pt         5.5789890964       11.2724854825        4.5279963526
 Pt         8.3831331314       11.2835923765        4.5231637327
 Pt        11.1631272417       11.2915211756        4.5238587594
 Pt        13.9564944857       11.2734566963        4.5245021185
 Pt        16.7671693035       11.2856253209        4.5295699552
 Pt        19.5380527265       11.2931424214        4.5294145084
 Pt         6.9712262202       13.7115475735        4.5294476140
 Pt         9.7667229253       13.6918908159        4.5213461084
 Pt        12.5767313188       13.7007375485        4.5257878683
 Pt        15.3519023815       13.7083711167        4.5268750391
 Pt        18.1461463653       13.6882867135        4.5295241354
 Pt        20.9531134425       13.7029282929        4.5298641941
 Pt         0.0024742055       -0.0023930165        6.7830696922
 Pt         2.7913458502       -0.0042362339        6.7492096820
 Pt         5.5804273106       -0.0019060287        6.8689634346
 Pt         8.3759900943        0.0009641145        6.7823476038
 Pt        11.1689820778        0.0027128079        6.7529879233
 Pt        13.9639814856        0.0019984012        6.8861077120
 Pt         1.3965704281        2.4182068778        6.8819511644
 Pt         4.1886493673        2.4171419495        6.7852015658
 Pt         6.9827990818        2.4168310834        6.7535416566
 Pt         9.7712290260        2.4217123027        6.8470324163
 Pt        12.5608871345        2.4223054462        6.7879515833
 Pt        15.3544444688        2.4214860456        6.7533356476
 Pt         2.7929073995        4.8354647806        6.7535873683
 Pt         5.5829417205        4.8337877395        6.8801261100
 Pt         8.3793621369        4.8418825876        6.7909531253
 Pt        11.1624378806        4.8405319112        6.7595848707
 Pt        13.9549260753        4.8363083015        6.8440044274
 Pt        16.7462887249        4.8364656744        6.7826418091
 Pt         4.1916658781        7.2530296999        6.7904984500
 Pt         6.9930458693        7.2501248431        6.7637281387
 Pt         9.7677228635        7.2528025171        6.7972393584
 Pt        12.5541899696        7.2509371090        6.7802366911
 Pt        15.3503490904        7.2525723670        6.7544021023
 Pt        18.1478686089        7.2497025086        6.8781728389
 Pt         5.5882149401        9.6672078757        6.8637502991
 Pt         8.3829675998        9.6656627116        6.7869301130
 Pt        11.1601443966        9.6668114826        6.7592015537
 Pt        13.9521980749        9.6679542977        6.8512217936
 Pt        16.7464810306        9.6688594875        6.7848454352
 Pt        19.5448513889        9.6692473872        6.7512996135
 Pt         6.9836728828       12.0858503533        6.7536060733
 Pt         9.7725127627       12.0869886062        6.8476608950
 Pt        12.5603963546       12.0836685069        6.7858929582
 Pt        15.3523993422       12.0865261587        6.7528573241
 Pt        18.1483231216       12.0877669513        6.8850876700
 Pt        20.9425740391       12.0890016290        6.7871175725
  O         1.3539939738        2.4196310935        9.4683685266
  H         1.8774607121        3.2193736173        9.7503608683
  H         1.8954612482        1.6308142926        9.7433462154
  O         2.7209907606        4.8356383846        9.8998685148
  H         2.7158754519        4.8360355643        8.8967361295
  H         3.7022891308        4.8274434537       10.0547987035
  O         5.5241855882        4.8188474010        9.4677474011
  H         6.0362738789        5.6273196212        9.7387718826
  H         6.0744484404        4.0386496832        9.7490891316
  O         6.9231962668        2.4423591395        9.8989864055
  H         6.9170112143        2.4389274579        8.8958589241
  H         7.9050878012        2.4204210372       10.0556284417
  O         5.5314957920        0.0003642226        9.4742916964
  H         6.0620474350        0.7959066634        9.7495172578
  H         6.0674072807       -0.7922583602        9.7499123413
  O         2.7489733808        0.0008925359        9.9028094773
  H         2.7283190663       -0.0182444589        8.9005470336
  H         3.7321146425        0.0059462245       10.0440270227
  O         5.5122223167        9.6833718765        9.4750252307
  H         6.0500120566       10.4668204466        9.7618230810
  H         6.0201496211        8.8760417575        9.7559340828
  O         6.9222671884       12.1185016926        9.9005817347
  H         6.9197593960       12.0939521541        8.8976407684
  H         7.9032768212       12.1294581793       10.0603205550
  O         9.7259881233       12.0897390815        9.5508517243
  H        10.2621736704       12.8811717074        9.8258040274
  H        10.2413259543       11.3064732398        9.8497629534
  O        11.2047959499        9.4756169751        9.9165786063
  H        11.0900495548        9.5655655437        8.9162264539
  H        12.2065244143        9.5084423393        9.9850911852
  O        10.0108982249        7.2528006503        9.9378295105
  H         9.7933052919        7.2560200237        8.9262750264
  H        10.6046076060        8.1436289568       10.0429543755
  H        10.5908784250        6.3491682281       10.0416663101
  O         6.8380285482        7.2273608199        9.9153518240
  H         7.0082120311        7.2427217580        8.9239817738
  H         7.7401557902        7.2276215721       10.3056308568
  O         9.7171388416        2.3916692339        9.5506692957
  H        10.2397737426        3.1737035497        9.8401879665
  H        10.2513840323        1.5988425017        9.8281598978
  O        11.1795239414        5.0292585963        9.9150469308
  H        11.0658209514        4.9355209524        8.9119507647
  H        12.1832312005        4.9904909587        9.9905880126
  O        13.8762435500        4.8459198667        9.5684427454
  H        14.4342208141        5.6284684773        9.8276252059
  H        14.3881424096        4.0412065872        9.8464274327
  O        15.2960800601        2.3894400856        9.9074771646
  H        15.2782725370        2.4382267205        8.9065068893
  H        16.2783109842        2.3837879727       10.0537467042
  O        13.9227545895       -0.0000671725        9.4457759380
  H        14.4560766353        0.7920179122        9.7354206624
  H        14.4522071471       -0.7940465816        9.7355911563
  O        11.1005105613       -0.0019822983        9.9038891031
  H        11.0891700885        0.0112209698        8.9006942729
  H        12.0819429158       -0.0064429675       10.0547434238
  O        13.8965088605        9.6609820250        9.5539026635
  H        14.4132886920       10.4643140501        9.8343088169
  H        14.4571947445        8.8813568207        9.8162031697
  O        15.2985051743       12.0630245302        9.9074578717
  H        15.2787693758       12.0432098940        8.9056805832
  H        16.2805981751       12.0666813962       10.0527079890
  O        18.1128051745       12.0824880784        9.4672965095
  H        18.6349504506       12.8827529173        9.7487960647
  H        18.6515582302       11.2933383597        9.7464191830
  O        19.4979767658        9.6726819800        9.8970444643
  H        19.4824989017        9.6712038573        8.8938018138
  H        20.4810266336        9.6797786803       10.0412131377
  O        18.1118545635        7.2597595306        9.4681914677
  H        18.6525968941        8.0478639345        9.7454271685
  H        18.6343219567        6.4590153538        9.7483956418
  O        15.3005272043        7.2804695721        9.9114118283
  H        15.2701574497        7.2672100298        8.9096430584
  H        16.2844755118        7.2799366294       10.0478886128
     217
 i =       24, E =    -17723.0221288067
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0121934634        1.6144112908        4.5300993245
 Pt         2.7859065850        1.6215234462        4.5290745097
 Pt         5.5802520320        1.6007074692        4.5280130387
 Pt         8.3855543634        1.6123094459        4.5222285719
 Pt        11.1619273641        1.6193125870        4.5243054507
 Pt        13.9550671459        1.5999764395        4.5312546824
 Pt         1.3935861619        4.0196007987        4.5297573135
 Pt         4.2013803320        4.0329673701        4.5281726689
 Pt         6.9713850334        4.0390213509        4.5319099191
 Pt         9.7651851379        4.0207739457        4.5235249623
 Pt        12.5715373722        4.0274139740        4.5237274942
 Pt        15.3505025029        4.0371548996        4.5220707812
 Pt         2.7844463463        6.4585126488        4.5297415204
 Pt         5.5793375293        6.4378097000        4.5342519633
 Pt         8.3777247780        6.4448016992        4.5103587869
 Pt        11.1679774422        6.4497366840        4.5098554601
 Pt        13.9570388021        6.4387189880        4.5229393992
 Pt        16.7634723748        6.4505951128        4.5282192757
 Pt         4.1997117819        8.8648484896        4.5267746828
 Pt         6.9724933303        8.8724985362        4.5275916089
 Pt         9.7680377413        8.8644241990        4.5100080870
 Pt        12.5723100641        8.8668889752        4.5223900883
 Pt        15.3491932030        8.8742864845        4.5252524172
 Pt        18.1433080713        8.8560791458        4.5289091560
 Pt         5.5789687644       11.2724001866        4.5283228856
 Pt         8.3831473438       11.2839651618        4.5236103006
 Pt        11.1629414320       11.2918094905        4.5241596332
 Pt        13.9565087130       11.2734466488        4.5249761047
 Pt        16.7667471150       11.2856617810        4.5299704539
 Pt        19.5378784534       11.2929056349        4.5297011031
 Pt         6.9706876173       13.7114349123        4.5297718033
 Pt         9.7667318487       13.6921075995        4.5220910214
 Pt        12.5767402476       13.7008460455        4.5262105391
 Pt        15.3518429223       13.7082076566        4.5273072306
 Pt        18.1460579834       13.6885378180        4.5298616263
 Pt        20.9527685505       13.7029194487        4.5304816793
 Pt         0.0020726267       -0.0023532320        6.7834299830
 Pt         2.7913462168       -0.0042300613        6.7506373765
 Pt         5.5803258738       -0.0017926657        6.8687325393
 Pt         8.3757756895        0.0010095739        6.7829331360
 Pt        11.1687095526        0.0026688235        6.7544663050
 Pt        13.9636387123        0.0018643938        6.8856637815
 Pt         1.3964479380        2.4181138582        6.8809903701
 Pt         4.1882640031        2.4170193596        6.7854654808
 Pt         6.9823466407        2.4169646617        6.7542207237
 Pt         9.7711999185        2.4214919321        6.8473501962
 Pt        12.5609177869        2.4222650148        6.7881577395
 Pt        15.3542030264        2.4213664901        6.7547384774
 Pt         2.7925997434        4.8354996010        6.7548332928
 Pt         5.5828834897        4.8337074129        6.8797462176
 Pt         8.3790913880        4.8418539546        6.7902454754
 Pt        11.1621545445        4.8406760851        6.7599725808
 Pt        13.9549309377        4.8361497639        6.8433898819
 Pt        16.7461856946        4.8365140361        6.7834081327
 Pt         4.1914355882        7.2526014297        6.7906481189
 Pt         6.9928171260        7.2499116569        6.7647503070
 Pt         9.7675290800        7.2526925805        6.7993459253
 Pt        12.5539266481        7.2509325351        6.7797257241
 Pt        15.3503013229        7.2522405576        6.7554679786
 Pt        18.1479253856        7.2497606043        6.8775077827
 Pt         5.5880588834        9.6672675471        6.8640734473
 Pt         8.3829333644        9.6656372691        6.7865550509
 Pt        11.1598349371        9.6662671353        6.7596181571
 Pt        13.9522577922        9.6679809241        6.8506400558
 Pt        16.7461613221        9.6688627582        6.7852597679
 Pt        19.5447973881        9.6691505782        6.7523997315
 Pt         6.9836183730       12.0859178008        6.7543619600
 Pt         9.7725294497       12.0869710297        6.8480704844
 Pt        12.5600022044       12.0838157030        6.7861186734
 Pt        15.3522941589       12.0864082441        6.7540842950
 Pt        18.1482248134       12.0878024445        6.8839173938
 Pt        20.9422775479       12.0887978355        6.7874649848
  O         1.3539885579        2.4197299191        9.4692330257
  H         1.8768252901        3.2189513287        9.7524665548
  H         1.8956522168        1.6304427415        9.7454236413
  O         2.7215105152        4.8356803904        9.9002031756
  H         2.7141707484        4.8361139956        8.8961024919
  H         3.7027565917        4.8270088505       10.0541569207
  O         5.5243878459        4.8186801622        9.4680765883
  H         6.0338948565        5.6276091794        9.7405146134
  H         6.0740835669        4.0377594470        9.7517905548
  O         6.9239467788        2.4425078611        9.8993507018
  H         6.9156647851        2.4384325717        8.8955765456
  H         7.9056973152        2.4202167033       10.0554227770
  O         5.5312552781        0.0001642949        9.4743047912
  H         6.0614347498        0.7958369063        9.7513827869
  H         6.0668055606       -0.7918928119        9.7516560208
  O         2.7492999401        0.0008529853        9.9031625217
  H         2.7255364422       -0.0197479036        8.9008896864
  H         3.7327429094        0.0061094246       10.0438986577
  O         5.5124741664        9.6811428693        9.4756476208
  H         6.0515282679       10.4668049850        9.7637447841
  H         6.0193521682        8.8762938967        9.7568071795
  O         6.9230530660       12.1177741338        9.9010913244
  H         6.9183697835       12.0934392564        8.8975358880
  H         7.9039462524       12.1287051687       10.0604151686
  O         9.7258032085       12.0885080151        9.5530732399
  H        10.2619938740       12.8820380468        9.8272390400
  H        10.2411500846       11.3063488829        9.8512832330
  O        11.2066236953        9.4749703947        9.9166064897
  H        11.0911792950        9.5648373111        8.9172534449
  H        12.2155600618        9.5091716986        9.9813800435
  O        10.0144746905        7.2552626154        9.9372105184
  H         9.7963262644        7.2559454195        8.9270442710
  H        10.6064110574        8.1445542105       10.0444040316
  H        10.5933586829        6.3486255892       10.0429468600
  O         6.8417022488        7.2279013813        9.9181430152
  H         7.0129479114        7.2428621204        8.9260741027
  H         7.7378099416        7.2273066380       10.3082692367
  O         9.7178995217        2.3933604635        9.5524715738
  H        10.2400652357        3.1731062666        9.8424659961
  H        10.2506445915        1.5981662911        9.8302796704
  O        11.1813521287        5.0301576131        9.9146492103
  H        11.0678563118        4.9357859267        8.9141695037
  H        12.1899423051        4.9898925588        9.9856695759
  O        13.8791441535        4.8467197953        9.5659271683
  H        14.4350338566        5.6280442602        9.8289567788
  H        14.3873266548        4.0412911609        9.8487362385
  O        15.2967959348        2.3899638249        9.9079197814
  H        15.2759914111        2.4400905954        8.9064851584
  H        16.2787022551        2.3840660111       10.0534965864
  O        13.9227322780        0.0001321551        9.4440043259
  H        14.4551593148        0.7924487706        9.7356074694
  H        14.4513159381       -0.7945622456        9.7359282359
  O        11.1011698338       -0.0019814601        9.9046151758
  H        11.0871948771        0.0124063443        8.9003271121
  H        12.0825155255       -0.0066008956       10.0540733616
  O        13.8970425908        9.6602086023        9.5541544954
  H        14.4105062484       10.4652944892        9.8357253684
  H        14.4568867846        8.8795878566        9.8169339545
  O        15.2989547535       12.0628355384        9.9078430592
  H        15.2764908015       12.0421230788        8.9055244370
  H        16.2808557438       12.0667945114       10.0524361419
  O        18.1133814880       12.0819985422        9.4681496991
  H        18.6349031563       12.8816919330        9.7506373303
  H        18.6520883836       11.2922238486        9.7488947962
  O        19.4986186700        9.6725566861        9.8966244681
  H        19.4802272076        9.6711533479        8.8936746875
  H        20.4816730222        9.6799606013       10.0406197805
  O        18.1121052124        7.2600882061        9.4693289206
  H        18.6529899619        8.0488266236        9.7480331199
  H        18.6339170906        6.4599933489        9.7506230513
  O        15.3011958166        7.2803086557        9.9116109391
  H        15.2677595467        7.2669215804        8.9092782057
  H        16.2850376597        7.2797919693       10.0471911069
     217
 i =       25, E =    -17723.0222340074
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0118924992        1.6142428356        4.5302028633
 Pt         2.7858713100        1.6213544455        4.5291318615
 Pt         5.5801561888        1.6005949966        4.5278420710
 Pt         8.3856648714        1.6121830890        4.5222053068
 Pt        11.1618274628        1.6189389175        4.5242114703
 Pt        13.9551294016        1.5996715108        4.5314005335
 Pt         1.3936172264        4.0198061084        4.5298919380
 Pt         4.2010864015        4.0329825812        4.5283693644
 Pt         6.9713852503        4.0386098944        4.5315181983
 Pt         9.7651761900        4.0210533715        4.5232069969
 Pt        12.5716304232        4.0270916283        4.5235226840
 Pt        15.3507523860        4.0368335545        4.5219774002
 Pt         2.7843375109        6.4584390870        4.5296032193
 Pt         5.5790790461        6.4377834328        4.5341205977
 Pt         8.3773185975        6.4448825104        4.5107938022
 Pt        11.1678187222        6.4496461679        4.5099682046
 Pt        13.9573346069        6.4390530710        4.5225326221
 Pt        16.7637827580        6.4506078134        4.5283526210
 Pt         4.1995153467        8.8649747318        4.5267489179
 Pt         6.9727699156        8.8721985002        4.5272193865
 Pt         9.7680777286        8.8644482919        4.5102961053
 Pt        12.5721245402        8.8668659547        4.5220168014
 Pt        15.3494053334        8.8743158321        4.5250419019
 Pt        18.1432239751        8.8560876790        4.5293116121
 Pt         5.5788620955       11.2724444149        4.5280814232
 Pt         8.3829847046       11.2841974346        4.5235067095
 Pt        11.1630664729       11.2918861007        4.5241768596
 Pt        13.9567420085       11.2736821903        4.5249090939
 Pt        16.7665509383       11.2856379525        4.5299854494
 Pt        19.5376870577       11.2928202240        4.5296281897
 Pt         6.9703513218       13.7115163055        4.5298086555
 Pt         9.7666953839       13.6923289269        4.5223501461
 Pt        12.5767238637       13.7010113971        4.5262387496
 Pt        15.3517328381       13.7081886903        4.5275719695
 Pt        18.1460324689       13.6886804235        4.5298622182
 Pt        20.9526418917       13.7029282824        4.5309393629
 Pt         0.0017916535       -0.0022523796        6.7837527765
 Pt         2.7914447867       -0.0041478072        6.7513463490
 Pt         5.5805506536       -0.0017243298        6.8682508823
 Pt         8.3757490758        0.0009835312        6.7832219685
 Pt        11.1685364920        0.0026602293        6.7555160445
 Pt        13.9633198425        0.0016220323        6.8850399272
 Pt         1.3963541059        2.4180646211        6.8795328858
 Pt         4.1880420899        2.4168360892        6.7855190997
 Pt         6.9820139238        2.4170705971        6.7542189571
 Pt         9.7712754551        2.4212117262        6.8462559914
 Pt        12.5610379230        2.4222289676        6.7878424206
 Pt        15.3541242868        2.4212994287        6.7554011569
 Pt         2.7924510773        4.8355139918        6.7557015829
 Pt         5.5829408117        4.8336888204        6.8782184607
 Pt         8.3788829184        4.8419058941        6.7896841297
 Pt        11.1618736388        4.8409237107        6.7603525565
 Pt        13.9550758196        4.8360326158        6.8415638290
 Pt        16.7462867183        4.8365379111        6.7838204559
 Pt         4.1911810347        7.2522060277        6.7903352182
 Pt         6.9928160000        7.2497603977        6.7655632665
 Pt         9.7674594774        7.2526023466        6.7996650870
 Pt        12.5535899447        7.2509253855        6.7792456283
 Pt        15.3503069357        7.2519961959        6.7556166528
 Pt        18.1478837724        7.2499774192        6.8767348895
 Pt         5.5878903363        9.6674416216        6.8629397456
 Pt         8.3829537843        9.6655607631        6.7861521989
 Pt        11.1594762833        9.6658197444        6.7603266249
 Pt        13.9524520802        9.6680044640        6.8488529320
 Pt        16.7460448684        9.6688952097        6.7856551960
 Pt        19.5449137018        9.6691989576        6.7529109650
 Pt         6.9836879481       12.0861452222        6.7544378613
 Pt         9.7726217347       12.0869193803        6.8469963990
 Pt        12.5597305521       12.0839788370        6.7859335794
 Pt        15.3524244107       12.0861714990        6.7547368175
 Pt        18.1481885881       12.0878509737        6.8823875628
 Pt        20.9420800775       12.0886086438        6.7875747010
  O         1.3538821560        2.4194194903        9.4698299166
  H         1.8768529223        3.2186537347        9.7530830409
  H         1.8956360238        1.6305013016        9.7460512342
  O         2.7215094099        4.8357007178        9.9000404976
  H         2.7125555361        4.8361692867        8.8959260650
  H         3.7027707987        4.8267284608       10.0546455121
  O         5.5247816685        4.8190862862        9.4685489547
  H         6.0326242639        5.6278381070        9.7411454208
  H         6.0740136994        4.0367316814        9.7528487626
  O         6.9244531628        2.4432168689        9.8994058069
  H         6.9143522567        2.4381585515        8.8956316293
  H         7.9059929459        2.4203427433       10.0560935108
  O         5.5307860992        0.0000283009        9.4744109617
  H         6.0612911382        0.7954330716        9.7519081668
  H         6.0665651160       -0.7913561342        9.7520390293
  O         2.7498930343        0.0007865319        9.9032575392
  H         2.7235507979       -0.0204555643        8.9010134966
  H         3.7333942183        0.0061001270       10.0445942533
  O         5.5119902664        9.6806582672        9.4767946016
  H         6.0521243369       10.4661740045        9.7642187138
  H         6.0192577296        8.8763864589        9.7570681541
  O         6.9235192351       12.1174545336        9.9011533389
  H         6.9170008480       12.0932460243        8.8976042721
  H         7.9045484627       12.1282081686       10.0612461459
  O         9.7248956093       12.0880988125        9.5562404616
  H        10.2623324572       12.8823396018        9.8269048994
  H        10.2418351631       11.3060222603        9.8510781113
  O        11.2090379218        9.4730924751        9.9163063720
  H        11.0917222952        9.5661463084        8.9169502758
  H        12.2181926603        9.5112844477        9.9803136597
  O        10.0165806885        7.2565132012        9.9357692519
  H         9.7972978789        7.2561645358        8.9267764819
  H        10.6064109533        8.1469736155       10.0458325226
  H        10.5939865177        6.3476277172       10.0441185814
  O         6.8428017559        7.2279808215        9.9188224763
  H         7.0157833932        7.2428373373        8.9273728575
  H         7.7384568154        7.2272681766       10.3096167812
  O         9.7171467855        2.3930971550        9.5548867263
  H        10.2402991112        3.1735174915        9.8427500397
  H        10.2505859059        1.5975725652        9.8300524166
  O        11.1825079555        5.0317219623        9.9149717235
  H        11.0692561893        4.9346752767        8.9148506140
  H        12.1903110045        4.9888148251        9.9835325658
  O        13.8804308022        4.8468217780        9.5643178900
  H        14.4357287882        5.6278524101        9.8292976288
  H        14.3873908785        4.0414292245        9.8494982935
  O        15.2971508629        2.3900168970        9.9077759471
  H        15.2743367955        2.4408133015        8.9063567813
  H        16.2791472137        2.3843347313       10.0541266983
  O        13.9228884308        0.0000989675        9.4428215390
  H        14.4546323161        0.7929859615        9.7347053985
  H        14.4507575937       -0.7949823832        9.7351247080
  O        11.1012275163       -0.0019299430        9.9045712063
  H        11.0854035807        0.0130402183        8.9002982487
  H        12.0826289067       -0.0066179144       10.0545290569
  O        13.8978322287        9.6595501096        9.5553928294
  H        14.4093939845       10.4666255841        9.8360203205
  H        14.4572031178        8.8775931418        9.8169450058
  O        15.2990368353       12.0623906883        9.9076216679
  H        15.2748631628       12.0418412574        8.9053490376
  H        16.2811574715       12.0667171435       10.0530464987
  O        18.1136371275       12.0811621658        9.4687746711
  H        18.6352863989       12.8810504154        9.7511335590
  H        18.6523065898       11.2918752845        9.7497443659
  O        19.4992767295        9.6724220129        9.8964499903
  H        19.4786080613        9.6711182283        8.8935262203
  H        20.4824814728        9.6800372097       10.0410391609
  O        18.1122097111        7.2607930031        9.4700251373
  H        18.6530388851        8.0490797590        9.7490017403
  H        18.6340893597        6.4605309973        9.7514293477
  O        15.3013801257        7.2805870527        9.9111022136
  H        15.2661871058        7.2667894298        8.9088087497
  H        16.2855359968        7.2797654040       10.0475466911
     217
 i =       26, E =    -17723.0223542506
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0111552081        1.6138373974        4.5302498132
 Pt         2.7856782371        1.6209231112        4.5290175912
 Pt         5.5798927472        1.6004478264        4.5275685494
 Pt         8.3856139028        1.6118291752        4.5221884120
 Pt        11.1617397112        1.6180856842        4.5241329238
 Pt        13.9551786590        1.5991689444        4.5316381121
 Pt         1.3936816741        4.0202164357        4.5301113398
 Pt         4.2000430942        4.0327325312        4.5285950614
 Pt         6.9712261415        4.0376329386        4.5302379905
 Pt         9.7652973132        4.0215436433        4.5224654482
 Pt        12.5716606049        4.0264703121        4.5229735245
 Pt        15.3516157439        4.0360347313        4.5217095876
 Pt         2.7841938469        6.4581687369        4.5293127967
 Pt         5.5785765114        6.4378969791        4.5336726442
 Pt         8.3764226250        6.4451472195        4.5115210925
 Pt        11.1673579289        6.4494103841        4.5100215097
 Pt        13.9580771911        6.4395847846        4.5214784703
 Pt        16.7642193981        6.4504556738        4.5285820439
 Pt         4.1990413264        8.8651260815        4.5266465720
 Pt         6.9731046304        8.8714973853        4.5266096228
 Pt         9.7682044759        8.8644669345        4.5107329550
 Pt        12.5714657500        8.8669883670        4.5211168022
 Pt        15.3500297991        8.8742069066        4.5245058598
 Pt        18.1431155417        8.8564458899        4.5300392179
 Pt         5.5786325483       11.2725567447        4.5276897381
 Pt         8.3825665562       11.2847340301        4.5230096935
 Pt        11.1633385695       11.2918802726        4.5241714207
 Pt        13.9570859287       11.2744483050        4.5247003223
 Pt        16.7659266868       11.2855666875        4.5297842890
 Pt        19.5373343088       11.2925429934        4.5292184457
 Pt         6.9698046618       13.7114505531        4.5298244223
 Pt         9.7665181539       13.6930741403        4.5229605441
 Pt        12.5764820258       13.7013743062        4.5263732183
 Pt        15.3516921356       13.7080794271        4.5281954673
 Pt        18.1459514579       13.6890975064        4.5298280232
 Pt        20.9518057156       13.7027288107        4.5318243566
 Pt         0.0011369219       -0.0021121088        6.7847289164
 Pt         2.7914335079       -0.0040289012        6.7530716733
 Pt         5.5810804474       -0.0016286185        6.8675174565
 Pt         8.3755001115        0.0009149227        6.7841915442
 Pt        11.1679413198        0.0026147953        6.7580679181
 Pt        13.9624135598        0.0009139776        6.8843407611
 Pt         1.3959882068        2.4179041069        6.8764089222
 Pt         4.1874607789        2.4164781611        6.7857522074
 Pt         6.9812039756        2.4171303620        6.7542819332
 Pt         9.7713289271        2.4208067272        6.8439610445
 Pt        12.5610305002        2.4220588261        6.7874036210
 Pt        15.3538361988        2.4211759048        6.7569653726
 Pt         2.7919566541        4.8355266785        6.7576494049
 Pt         5.5828553817        4.8335808184        6.8749318264
 Pt         8.3783851217        4.8417666197        6.7883365972
 Pt        11.1612640614        4.8411515057        6.7609870139
 Pt        13.9553764641        4.8357693670        6.8375977313
 Pt        16.7465120884        4.8365227243        6.7849689159
 Pt         4.1905839495        7.2513968361        6.7898328889
 Pt         6.9924904826        7.2495993979        6.7671960592
 Pt         9.7669184904        7.2521978591        6.8004456147
 Pt        12.5530045261        7.2508072050        6.7778516065
 Pt        15.3502842931        7.2514827738        6.7559742596
 Pt        18.1477346719        7.2505722928        6.8754321357
 Pt         5.5876290953        9.6675763773        6.8605206710
 Pt         8.3826837568        9.6653831081        6.7852727379
 Pt        11.1588210006        9.6650625292        6.7615680109
 Pt        13.9525819210        9.6679184152        6.8447716948
 Pt        16.7458432796        9.6688753010        6.7867441586
 Pt        19.5450336774        9.6692361619        6.7540503100
 Pt         6.9836144015       12.0865505634        6.7547415733
 Pt         9.7726545567       12.0867880659        6.8449539987
 Pt        12.5592174769       12.0842199422        6.7858231657
 Pt        15.3525527735       12.0857655513        6.7563222492
 Pt        18.1479996974       12.0878220629        6.8792052823
 Pt        20.9415443771       12.0881009228        6.7879725692
  O         1.3539726938        2.4190510630        9.4719665664
  H         1.8763847511        3.2174819911        9.7555959709
  H         1.8955947103        1.6301564641        9.7488006001
  O         2.7212277558        4.8357118123        9.9001791235
  H         2.7088047666        4.8363624546        8.8967320636
  H         3.7022469340        4.8258603291       10.0547547078
  O         5.5252766680        4.8165126504        9.4701926068
  H         6.0299836624        5.6291516481        9.7444940687
  H         6.0728412735        4.0367338013        9.7563335727
  O         6.9245371503        2.4445145796        9.9000068720
  H         6.9116424187        2.4371568859        8.8970290203
  H         7.9067875579        2.4208044413       10.0570814871
  O         5.5298034590        0.0006450688        9.4753747233
  H         6.0601495562        0.7943853353        9.7539751769
  H         6.0658029792       -0.7908387391        9.7539415691
  O         2.7504153915        0.0004007781        9.9046289503
  H         2.7189298368       -0.0226885206        8.9026936801
  H         3.7341454628        0.0060173697       10.0449705907
  O         5.5115278030        9.6806808255        9.4792444517
  H         6.0535212607       10.4636721544        9.7660557883
  H         6.0193063332        8.8754929408        9.7586205464
  O         6.9243534082       12.1171268350        9.9019537315
  H         6.9142938207       12.0923754271        8.8991161215
  H         7.9051928958       12.1262624243       10.0624703380
  O         9.7228020693       12.0872078146        9.5612875764
  H        10.2625807054       12.8817488843        9.8269141304
  H        10.2438244159       11.3055890502        9.8515413575
  O        11.2166077266        9.4728574567        9.9146758185
  H        11.0945771959        9.5694771816        8.9181301550
  H        12.2241286235        9.5164871230        9.9761412327
  O        10.0210462360        7.2567489597        9.9334260668
  H         9.8013303218        7.2575309330        8.9234522626
  H        10.6086168283        8.1535490766       10.0484566373
  H        10.5959258547        6.3485958553       10.0463265722
  O         6.8465265135        7.2276837938        9.9219033169
  H         7.0251509684        7.2428612234        8.9300411534
  H         7.7406341493        7.2271767536       10.3151341132
  O         9.7158456122        2.3944431978        9.5588990619
  H        10.2405374385        3.1728237033        9.8442807996
  H        10.2505963327        1.5962446319        9.8307930028
  O        11.1867733454        5.0328539013        9.9147704331
  H        11.0725598461        4.9315158498        8.9162332627
  H        12.1929878487        4.9864689622        9.9783034887
  O        13.8835697210        4.8465728210        9.5605757308
  H        14.4379574310        5.6273494493        9.8301407507
  H        14.3878000033        4.0417183138        9.8516783641
  O        15.2974037303        2.3898165460        9.9083422610
  H        15.2707288805        2.4435159652        8.9072922328
  H        16.2793720872        2.3853514221       10.0544593805
  O        13.9231619390        0.0002327651        9.4378537531
  H        14.4528853665        0.7934160032        9.7323363313
  H        14.4490259729       -0.7953047162        9.7332136372
  O        11.1012657287       -0.0017874263        9.9049922338
  H        11.0811870323        0.0149996420        8.9015616491
  H        12.0820172491       -0.0066313828       10.0544872588
  O        13.8991784870        9.6579373677        9.5578565311
  H        14.4064116595       10.4675974734        9.8374893410
  H        14.4581622386        8.8745173451        9.8176141510
  O        15.2991424805       12.0616475066        9.9080925349
  H        15.2711978095       12.0409578653        8.9058978622
  H        16.2805714389       12.0663677114       10.0534246956
  O        18.1149520141       12.0795001069        9.4710064312
  H        18.6358921133       12.8783451248        9.7531590481
  H        18.6532789365       11.2898849878        9.7533322565
  O        19.5003892012        9.6722003375        9.8972659850
  H        19.4749703713        9.6709828431        8.8939761440
  H        20.4838780099        9.6802001607       10.0406626694
  O        18.1130718673        7.2620530900        9.4724725678
  H        18.6534224473        8.0507119480        9.7529606658
  H        18.6339670419        6.4628408090        9.7544600261
  O        15.3019780642        7.2811277192        9.9107931536
  H        15.2627594472        7.2661166129        8.9084644203
  H        16.2854306974        7.2796931579       10.0469603183
     217
 i =       27, E =    -17723.0224389520
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0106207436        1.6135341963        4.5301755074
 Pt         2.7854726488        1.6205961042        4.5288028862
 Pt         5.5796248129        1.6003520050        4.5274308465
 Pt         8.3854369524        1.6115197090        4.5221407126
 Pt        11.1617432872        1.6174762771        4.5240968872
 Pt        13.9551604819        1.5988583260        4.5317789380
 Pt         1.3937197551        4.0204386420        4.5301913839
 Pt         4.1991612538        4.0324305570        4.5285644991
 Pt         6.9710254473        4.0369703746        4.5291430416
 Pt         9.7653903816        4.0217724551        4.5219094884
 Pt        12.5715954962        4.0261011893        4.5225130366
 Pt        15.3523375699        4.0354547149        4.5214236261
 Pt         2.7841066729        6.4579401480        4.5291335307
 Pt         5.5782447283        6.4380014328        4.5332793222
 Pt         8.3757811872        6.4453295974        4.5118295557
 Pt        11.1669673396        6.4492248789        4.5099345864
 Pt        13.9585609500        6.4398382192        4.5206216815
 Pt        16.7644565826        6.4502471110        4.5286903568
 Pt         4.1986616012        8.8651526903        4.5264895800
 Pt         6.9731824391        8.8710542921        4.5262671827
 Pt         9.7682453082        8.8644633557        4.5109171463
 Pt        12.5709213881        8.8671334870        4.5204196687
 Pt        15.3505177602        8.8740788961        4.5240371805
 Pt        18.1430751255        8.8567736223        4.5304107491
 Pt         5.5784417479       11.2726403823        4.5274544545
 Pt         8.3822584003       11.2850463010        4.5225110934
 Pt        11.1634878207       11.2918392508        4.5241010901
 Pt        13.9572347116       11.2751137668        4.5244565458
 Pt        16.7654215450       11.2855149468        4.5295253756
 Pt        19.5371200658       11.2923215937        4.5287875671
 Pt         6.9694681584       13.7113307960        4.5298317538
 Pt         9.7663384966       13.6936374126        4.5233211101
 Pt        12.5761928184       13.7016353320        4.5265099196
 Pt        15.3517277114       13.7080096314        4.5286167153
 Pt        18.1458417217       13.6893910186        4.5297939885
 Pt        20.9510363564       13.7024962274        4.5323696988
 Pt         0.0006461462       -0.0020679957        6.7855050850
 Pt         2.7912838582       -0.0039834099        6.7542060617
 Pt         5.5814062854       -0.0016144406        6.8672315369
 Pt         8.3752341966        0.0008372993        6.7850051775
 Pt        11.1673508826        0.0025489300        6.7597074170
 Pt        13.9616696298        0.0003254197        6.8843500890
 Pt         1.3956114930        2.4177413615        6.8743481338
 Pt         4.1869850693        2.4162354030        6.7859035441
 Pt         6.9806163010        2.4170701233        6.7541876495
 Pt         9.7712538237        2.4206570217        6.8423600878
 Pt        12.5608433615        2.4218718444        6.7871867050
 Pt        15.3535587108        2.4210770983        6.7579007524
 Pt         2.7915148589        4.8355225379        6.7587648503
 Pt         5.5826826717        4.8334329766        6.8726255405
 Pt         8.3779546032        4.8415073547        6.7873204633
 Pt        11.1608565406        4.8411204833        6.7610946206
 Pt        13.9555549284        4.8355663234        6.8348710880
 Pt        16.7466752306        4.8364780775        6.7858038344
 Pt         4.1901328843        7.2508918653        6.7895526082
 Pt         6.9920801764        7.2495228866        6.7683399766
 Pt         9.7663486989        7.2518355623        6.8010560547
 Pt        12.5526571035        7.2506317132        6.7766368678
 Pt        15.3502483841        7.2511793269        6.7560709955
 Pt        18.1475659308        7.2510381788        6.8748150321
 Pt         5.5874811644        9.6675159670        6.8588055135
 Pt         8.3823244439        9.6652642865        6.7846764624
 Pt        11.1583781555        9.6646796087        6.7620442017
 Pt        13.9524856792        9.6677601468        6.8417157901
 Pt        16.7457121350        9.6688165653        6.7875317346
 Pt        19.5450409368        9.6692336985        6.7547404703
 Pt         6.9834254445       12.0867322220        6.7548979641
 Pt         9.7725351768       12.0866527580        6.8435818390
 Pt        12.5589231430       12.0843122218        6.7858724448
 Pt        15.3525509819       12.0854997144        6.7573562915
 Pt        18.1477778062       12.0876872376        6.8771670335
 Pt        20.9410797292       12.0876645236        6.7882705003
  O         1.3538190909        2.4177732581        9.4736037815
  H         1.8762648985        3.2170851744        9.7583052660
  H         1.8953789497        1.6299494496        9.7514399851
  O         2.7204740493        4.8357056211        9.9011878979
  H         2.7057205482        4.8365612271        8.8975490711
  H         3.7019164603        4.8249840882       10.0541586798
  O         5.5245576081        4.8177430741        9.4715252030
  H         6.0268327158        5.6282606143        9.7472242579
  H         6.0732096829        4.0355324662        9.7603682587
  O         6.9249518198        2.4450749193        9.9015316723
  H         6.9095656202        2.4362669221        8.8983178420
  H         7.9066986527        2.4213253522       10.0572644110
  O         5.5288181978       -0.0000584707        9.4763063198
  H         6.0594154861        0.7944642285        9.7562645806
  H         6.0647002563       -0.7902240391        9.7556477573
  O         2.7501705967       -0.0000263373        9.9063339364
  H         2.7152232746       -0.0247292341        8.9046600843
  H         3.7345125484        0.0059403168       10.0444335406
  O         5.5114933830        9.6799235160        9.4807599916
  H         6.0549261327       10.4618535507        9.7680336742
  H         6.0190276272        8.8747092961        9.7600173551
  O         6.9240699575       12.1171726047        9.9033898411
  H         6.9123859317       12.0914402292        8.9005422780
  H         7.9058538494       12.1244563595       10.0629828340
  O         9.7215959860       12.0862594770        9.5640202446
  H        10.2622836716       12.8805533494        9.8273972022
  H        10.2453901449       11.3055787635        9.8523499276
  O        11.2204117304        9.4730061613        9.9151321174
  H        11.0972827946        9.5724382026        8.9178471286
  H        12.2312148620        9.5203812929        9.9720876376
  O        10.0250686855        7.2587487036        9.9317785386
  H         9.8058808518        7.2588007824        8.9209962152
  H        10.6113346458        8.1574423413       10.0500921553
  H        10.5986289615        6.3506363806       10.0478262807
  O         6.8479494890        7.2271464145        9.9213803897
  H         7.0335803561        7.2428169667        8.9340329748
  H         7.7443524795        7.2270115635       10.3219130374
  O         9.7150421688        2.3918253481        9.5610786676
  H        10.2420058031        3.1736883675        9.8467646942
  H        10.2493055266        1.5971705253        9.8314086523
  O        11.1903612553        5.0328549859        9.9144437970
  H        11.0747332534        4.9288187774        8.9167413527
  H        12.1971403041        4.9849084438        9.9742130470
  O        13.8861172103        4.8463789495        9.5585136294
  H        14.4397444350        5.6266102736        9.8305721173
  H        14.3882060799        4.0419019420        9.8534795398
  O        15.2967891365        2.3894876587        9.9092289411
  H        15.2679284599        2.4462051140        8.9086101132
  H        16.2795721666        2.3862403356       10.0540299985
  O        13.9231684516       -0.0000165298        9.4318053977
  H        14.4515052462        0.7935883209        9.7301357880
  H        14.4474440616       -0.7950811902        9.7313768885
  O        11.1001818567       -0.0014828720        9.9062601182
  H        11.0777375294        0.0167374088        8.9025794072
  H        12.0819084010       -0.0065839650       10.0537957025
  O        13.8993431235        9.6562187758        9.5591551316
  H        14.4044476029       10.4676161526        9.8393530822
  H        14.4592145186        8.8730247184        9.8186192881
  O        15.2978842557       12.0612719711        9.9086812789
  H        15.2683164935       12.0400879781        8.9069342091
  H        16.2805699444       12.0659646755       10.0531828965
  O        18.1160157077       12.0763120778        9.4727451706
  H        18.6369551330       12.8766094630        9.7554995913
  H        18.6539354734       11.2883402809        9.7566739976
  O        19.5006711005        9.6720990743        9.8981501718
  H        19.4721113190        9.6708380516        8.8951876505
  H        20.4850073725        9.6803336408       10.0395161824
  O        18.1136979444        7.2648700244        9.4743071051
  H        18.6535162903        8.0519102289        9.7566588728
  H        18.6343882804        6.4640873336        9.7577562867
  O        15.3010729736        7.2814732031        9.9105920615
  H        15.2601318424        7.2654088121        8.9087831377
  H        16.2859850193        7.2797012673       10.0457473034
     217
 i =       28, E =    -17723.0225116790
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0105997873        1.6134747997        4.5299801931
 Pt         2.7853945427        1.6205706393        4.5285757561
 Pt         5.5794925218        1.6003550433        4.5274119495
 Pt         8.3852802201        1.6113630385        4.5219708047
 Pt        11.1618479080        1.6173640424        4.5239697072
 Pt        13.9551368654        1.5988894290        4.5316822709
 Pt         1.3937478537        4.0203714679        4.5300610215
 Pt         4.1989541505        4.0322574826        4.5282677960
 Pt         6.9709713131        4.0368976605        4.5287278991
 Pt         9.7654079558        4.0217067202        4.5217746609
 Pt        12.5714568990        4.0261157569        4.5223261135
 Pt        15.3525444161        4.0354154243        4.5211676556
 Pt         2.7841206110        6.4578510702        4.5290776801
 Pt         5.5782324781        6.4381008840        4.5330782465
 Pt         8.3756464053        6.4453297426        4.5115789881
 Pt        11.1668841740        6.4491569281        4.5097021085
 Pt        13.9585549045        6.4398047302        4.5203193110
 Pt        16.7644308767        6.4500786803        4.5285641342
 Pt         4.1985342150        8.8650759610        4.5262457484
 Pt         6.9730534518        8.8710358357        4.5262563806
 Pt         9.7682273251        8.8645013279        4.5107356715
 Pt        12.5707480463        8.8672159428        4.5202611225
 Pt        15.3506865066        8.8740506677        4.5237633165
 Pt        18.1431110776        8.8568540276        4.5302844085
 Pt         5.5783745278       11.2726863821        4.5273495121
 Pt         8.3821730115       11.2849820994        4.5221840363
 Pt        11.1635304381       11.2917486126        4.5239582591
 Pt        13.9571950917       11.2753653036        4.5242151217
 Pt        16.7653543714       11.2854933419        4.5292911797
 Pt        19.5371324883       11.2923037555        4.5285186184
 Pt         6.9695403767       13.7112790592        4.5297684757
 Pt         9.7662521871       13.6937400031        4.5231783026
 Pt        12.5760341281       13.7016748229        4.5264800732
 Pt        15.3517885687       13.7080402652        4.5286024448
 Pt        18.1457896895       13.6893923044        4.5297056345
 Pt        20.9508174501       13.7023796367        4.5323033965
 Pt         0.0005994169       -0.0021114495        6.7856614666
 Pt         2.7911391797       -0.0040044769        6.7540915062
 Pt         5.5814595567       -0.0016859240        6.8673852459
 Pt         8.3751527062        0.0007818989        6.7851549453
 Pt        11.1671377948        0.0025097467        6.7596519283
 Pt        13.9614971333        0.0001486879        6.8848437208
 Pt         1.3954613183        2.4176791094        6.8741997408
 Pt         4.1869095565        2.4162126230        6.7858658190
 Pt         6.9805633312        2.4169489649        6.7539489323
 Pt         9.7711498041        2.4207576140        6.8419038875
 Pt        12.5606551399        2.4217870413        6.7871509784
 Pt        15.3534912890        2.4210716474        6.7576699772
 Pt         2.7914114282        4.8355020042        6.7585741297
 Pt         5.5825736864        4.8333776536        6.8721578118
 Pt         8.3778459033        4.8413332691        6.7871967503
 Pt        11.1608396180        4.8409351363        6.7607856713
 Pt        13.9555710792        4.8355367037        6.8344059006
 Pt        16.7467365079        4.8364328028        6.7858365720
 Pt         4.1900516773        7.2509236067        6.7895018281
 Pt         6.9918996102        7.2495736932        6.7681967532
 Pt         9.7661175446        7.2517127185        6.8006819491
 Pt        12.5526811977        7.2505180326        6.7762853534
 Pt        15.3502386611        7.2512281777        6.7557100284
 Pt        18.1474652696        7.2511786822        6.8750435070
 Pt         5.5875021066        9.6673670767        6.8583141384
 Pt         8.3821151856        9.6652448076        6.7846393187
 Pt        11.1583577918        9.6648236536        6.7618223631
 Pt        13.9523118306        9.6676425675        6.8409682569
 Pt        16.7457570639        9.6687713819        6.7876214615
 Pt        19.5449981157        9.6692324647        6.7545499477
 Pt         6.9832888485       12.0866706782        6.7547387888
 Pt         9.7723883853       12.0865945509        6.8432042270
 Pt        12.5589949986       12.0842447950        6.7859195513
 Pt        15.3525073684       12.0854753420        6.7572423705
 Pt        18.1476845079       12.0875534682        6.8771213283
 Pt        20.9409642746       12.0875434702        6.7882678601
  O         1.3538757153        2.4174851226        9.4740090630
  H         1.8761684648        3.2168769082        9.7589903300
  H         1.8952745965        1.6297378347        9.7522122396
  O         2.7199502298        4.8356808181        9.9017712804
  H         2.7050012811        4.8366415072        8.8983467959
  H         3.7015807094        4.8247022552       10.0536634089
  O         5.5239479850        4.8173102410        9.4720924923
  H         6.0263919195        5.6279464953        9.7481539957
  H         6.0731677757        4.0360701286        9.7613366634
  O         6.9245783803        2.4449996860        9.9022265727
  H         6.9092495536        2.4360168056        8.8992108256
  H         7.9064959222        2.4216136141       10.0570897791
  O         5.5285591500        0.0001007115        9.4767860805
  H         6.0590033094        0.7944857066        9.7568123932
  H         6.0643920938       -0.7903997368        9.7560753911
  O         2.7497983644       -0.0002227493        9.9071680427
  H         2.7146049871       -0.0252236144        8.9056896574
  H         3.7341726396        0.0058487420       10.0437340114
  O         5.5117201367        9.6798978032        9.4808510662
  H         6.0551230019       10.4612717320        9.7685366303
  H         6.0189156271        8.8742535151        9.7603696622
  O         6.9237533361       12.1175226643        9.9040987548
  H         6.9122120483       12.0910895798        8.9013971931
  H         7.9055308552       12.1238618542       10.0627922715
  O         9.7214895048       12.0858900529        9.5635275952
  H        10.2619564781       12.8796332258        9.8275801194
  H        10.2459043843       11.3057841841        9.8525404905
  O        11.2215093510        9.4738570603        9.9153557538
  H        11.0981982100        9.5737083264        8.9175807371
  H        12.2315153858        9.5212538280        9.9711803934
  O        10.0257155422        7.2593645399        9.9317358528
  H         9.8075826703        7.2594406330        8.9198891813
  H        10.6126055461        8.1579961601       10.0498951988
  H        10.5995612616        6.3524587258       10.0477443299
  O         6.8493351487        7.2267308582        9.9219477348
  H         7.0362594105        7.2427325161        8.9344611542
  H         7.7445751841        7.2269901630       10.3238421273
  O         9.7150422328        2.3924236168        9.5608501289
  H        10.2418263316        3.1729110686        9.8471069302
  H        10.2493041876        1.5972162215        9.8317172115
  O        11.1916757366        5.0318986557        9.9142502801
  H        11.0746876822        4.9277539533        8.9160713067
  H        12.1978772442        4.9847300246        9.9740690372
  O        13.8860060602        4.8461728870        9.5590958338
  H        14.4402378544        5.6263812098        9.8302747066
  H        14.3887009687        4.0417302023        9.8536270948
  O        15.2963446083        2.3891657029        9.9097408960
  H        15.2675611039        2.4470201024        8.9094059742
  H        16.2791859638        2.3864992017       10.0534568015
  O        13.9232273498       -0.0000043195        9.4286615980
  H        14.4510695419        0.7931985819        9.7289732249
  H        14.4470057818       -0.7946638328        9.7304261066
  O        11.0997151146       -0.0014185242        9.9068075990
  H        11.0769465832        0.0171629086        8.9033745309
  H        12.0813362403       -0.0065149341       10.0532227243
  O        13.8987983612        9.6558602924        9.5592488371
  H        14.4045187025       10.4666529524        9.8399907063
  H        14.4597792134        8.8735019828        9.8190926781
  O        15.2974224589       12.0613191492        9.9091641185
  H        15.2678800315       12.0399539762        8.9075822253
  H        16.2800571085       12.0656941382       10.0527195124
  O        18.1164717817       12.0754318844        9.4731771549
  H        18.6372151856       12.8758347366        9.7560689982
  H        18.6542651492       11.2875803608        9.7576981545
  O        19.5005775436        9.6721422666        9.8989672936
  H        19.4716942704        9.6707750733        8.8960053990
  H        20.4849855481        9.6803315772       10.0386912965
  O        18.1141031143        7.2655619349        9.4747003580
  H        18.6536220057        8.0525442796        9.7578088164
  H        18.6344176399        6.4647027791        9.7586281923
  O        15.3007622019        7.2815391894        9.9108309182
  H        15.2598486736        7.2651244644        8.9091674566
  H        16.2856133288        7.2798035863       10.0449137261
     217
 i =       29, E =    -17723.0226795478
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0102794404        1.6130047002        4.5289479301
 Pt         2.7848406353        1.6202350960        4.5273492636
 Pt         5.5785304892        1.6001767529        4.5273055829
 Pt         8.3843663204        1.6103637127        4.5209782984
 Pt        11.1623757114        1.6165403578        4.5232246995
 Pt        13.9549416581        1.5987507785        4.5313946655
 Pt         1.3938515392        4.0199658051        4.5293467552
 Pt         4.1975940432        4.0312445451        4.5265300757
 Pt         6.9704963998        4.0363650001        4.5261993179
 Pt         9.7653266222        4.0212222949        4.5207145506
 Pt        12.5708095903        4.0260445445        4.5210263184
 Pt        15.3537720458        4.0350022519        4.5196303999
 Pt         2.7840447076        6.4573562467        4.5288128748
 Pt         5.5779652539        6.4384937118        4.5318104438
 Pt         8.3746416981        6.4452986487        4.5102430367
 Pt        11.1661901543        6.4487785974        4.5083781835
 Pt        13.9585742442        6.4396422438        4.5182916944
 Pt        16.7645554129        6.4491421450        4.5279874542
 Pt         4.1976181454        8.8646268572        4.5248056926
 Pt         6.9723166581        8.8708970393        4.5259283456
 Pt         9.7678945903        8.8646354702        4.5098036029
 Pt        12.5697846617        8.8676428042        4.5189340446
 Pt        15.3516679774        8.8739113398        4.5220383133
 Pt        18.1432531070        8.8571634868        4.5296478923
 Pt         5.5778434504       11.2729825850        4.5266455291
 Pt         8.3816341533       11.2846375242        4.5202897610
 Pt        11.1636750023       11.2914873753        4.5230380829
 Pt        13.9569983619       11.2769642608        4.5227272519
 Pt        16.7648399125       11.2853871112        4.5280425049
 Pt        19.5370678706       11.2921191013        4.5269486500
 Pt         6.9695665449       13.7110670761        4.5296458671
 Pt         9.7656925362       13.6942807752        4.5224154886
 Pt        12.5750489033       13.7020033324        4.5264795488
 Pt        15.3519762603       13.7082595971        4.5286558018
 Pt        18.1453274859       13.6893529310        4.5293039557
 Pt        20.9496342761       13.7017452794        4.5322511995
 Pt         0.0000847850       -0.0023950972        6.7866293973
 Pt         2.7902120505       -0.0041469381        6.7537740124
 Pt         5.5816158394       -0.0021514886        6.8682013739
 Pt         8.3745848948        0.0003711297        6.7862410676
 Pt        11.1655151654        0.0021562039        6.7596896041
 Pt        13.9602795094       -0.0010480936        6.8879185148
 Pt         1.3944199295        2.4171688565        6.8728135954
 Pt         4.1862109654        2.4159561703        6.7855484563
 Pt         6.9800169796        2.4162470208        6.7525483520
 Pt         9.7703526736        2.4212234791        6.8387313438
 Pt        12.5594578562        2.4211997924        6.7867628664
 Pt        15.3529314773        2.4209491885        6.7564741518
 Pt         2.7906401907        4.8353736253        6.7576815523
 Pt         5.5818351822        4.8329763187        6.8685039038
 Pt         8.3768538597        4.8402138012        6.7859229865
 Pt        11.1605963253        4.8398448822        6.7586858612
 Pt        13.9556736082        4.8352028559        6.8308407709
 Pt        16.7470864354        4.8361948116        6.7861393499
 Pt         4.1893620493        7.2509530579        6.7890444957
 Pt         6.9906383075        7.2496210200        6.7675044223
 Pt         9.7646365952        7.2508998664        6.7987470536
 Pt        12.5526189825        7.2497176675        6.7735691256
 Pt        15.3501785973        7.2514302495        6.7534690123
 Pt        18.1468289897        7.2521025767        6.8761982227
 Pt         5.5874469687        9.6664385895        6.8548882306
 Pt         8.3807630649        9.6651242199        6.7841187185
 Pt        11.1579342741        9.6654571980        6.7605533254
 Pt        13.9512883677        9.6668870849        6.8354232898
 Pt        16.7458384805        9.6685373228        6.7881017583
 Pt        19.5447024941        9.6692057851        6.7536516535
 Pt         6.9823897254       12.0861829884        6.7538982287
 Pt         9.7713600632       12.0861848181        6.8404827405
 Pt        12.5592799555       12.0839182775        6.7861068628
 Pt        15.3522320145       12.0851278827        6.7567830752
 Pt        18.1470328252       12.0866106011        6.8763270932
 Pt        20.9399729177       12.0865773189        6.7882238777
  O         1.3544268174        2.4160258426        9.4768035531
  H         1.8750129316        3.2148129941        9.7642100380
  H         1.8946684016        1.6279042193        9.7582764074
  O         2.7168973336        4.8355281916        9.9059326587
  H         2.6986611399        4.8372732738        8.9033383640
  H         3.6995643617        4.8225346745       10.0504450781
  O         5.5201024990        4.8139245191        9.4762663173
  H         6.0222730445        5.6261711419        9.7548977525
  H         6.0722413439        4.0393275876        9.7686724731
  O         6.9224104224        2.4446340450        9.9070256595
  H         6.9059761815        2.4341849106        8.9050526437
  H         7.9057065070        2.4235971998       10.0563494320
  O         5.5265934694        0.0007067815        9.4796257814
  H         6.0559232656        0.7945266213        9.7612900823
  H         6.0617750314       -0.7910554942        9.7594825248
  O         2.7474909995       -0.0014531340        9.9125042362
  H         2.7085772186       -0.0291956160        8.9124790662
  H         3.7328516388        0.0052613741       10.0394932740
  O         5.5130698392        9.6783723839        9.4815638043
  H         6.0570541727       10.4575230266        9.7727456886
  H         6.0176989848        8.8711866952        9.7628762292
  O         6.9218466815       12.1192887064        9.9088138130
  H         6.9099284701       12.0884484508        8.9070034342
  H         7.9040270181       12.1196757635       10.0621295278
  O         9.7205972315       12.0817044666        9.5612420286
  H        10.2597532697       12.8747276565        9.8293505965
  H        10.2492416757       11.3065362166        9.8540802344
  O        11.2286357471        9.4787726261        9.9142387480
  H        11.1045989743        9.5824105677        8.9174759906
  H        12.2378564372        9.5274795931        9.9644765713
  O        10.0318369736        7.2653904869        9.9297653914
  H         9.8210597284        7.2639527351        8.9142753597
  H        10.6220468092        8.1623044884       10.0488630660
  H        10.6069686799        6.3644695457       10.0474703412
  O         6.8577010937        7.2245441177        9.9250718089
  H         7.0569776221        7.2419817424        8.9392705962
  H         7.7466765235        7.2266847037       10.3388430681
  O         9.7145905736        2.3933096066        9.5596480246
  H        10.2421268934        3.1700805787        9.8509006157
  H        10.2481388212        1.5980620268        9.8340333881
  O        11.2001257717        5.0269022775        9.9117817415
  H        11.0755645333        4.9204189885        8.9138529995
  H        12.2061843467        4.9828897276        9.9711239263
  O        13.8868583370        4.8445333582        9.5622068224
  H        14.4438622415        5.6247623101        9.8286376923
  H        14.3915272655        4.0408831164        9.8553013414
  O        15.2937871138        2.3875606042        9.9131544864
  H        15.2635459830        2.4533289809        8.9141243581
  H        16.2772560598        2.3881334482       10.0500026480
  O        13.9242935768        0.0000228806        9.4041038895
  H        14.4474545758        0.7909416792        9.7197836015
  H        14.4433313894       -0.7921189016        9.7227924132
  O        11.0965199749       -0.0009982683        9.9106904362
  H        11.0700183965        0.0204793688        8.9082170966
  H        12.0780533272       -0.0060480470       10.0494673759
  O        13.8965226488        9.6530607377        9.5604672348
  H        14.4035438148       10.4607636319        9.8446317410
  H        14.4628985478        8.8756079101        9.8223508200
  O        15.2947950700       12.0614550476        9.9123796955
  H        15.2633914059       12.0386194390        8.9114481832
  H        16.2771035855       12.0637954850       10.0499656319
  O        18.1202017509       12.0696271173        9.4761910994
  H        18.6386755641       12.8693632604        9.7603603990
  H        18.6569547248       11.2815509889        9.7656584931
  O        19.5002671357        9.6723453627        9.9040534386
  H        19.4673259363        9.6702924422        8.9015964015
  H        20.4858741835        9.6803807585       10.0333963570
  O        18.1173096192        7.2701761255        9.4775087474
  H        18.6546621483        8.0575535372        9.7666962583
  H        18.6342751990        6.4698827274        9.7652161528
  O        15.2992585366        7.2818262693        9.9122814581
  H        15.2563906916        7.2631114633        8.9110687581
  H        16.2838510817        7.2805897352       10.0393940130
     217
 i =       30, E =    -17723.0227431482
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0105288880        1.6130437069        4.5291434184
 Pt         2.7848583974        1.6202419560        4.5277025633
 Pt         5.5784412782        1.5999041951        4.5273249724
 Pt         8.3845442136        1.6104140948        4.5208276904
 Pt        11.1622091305        1.6167311834        4.5229990374
 Pt        13.9548996005        1.5984416061        4.5316750583
 Pt         1.3937436384        4.0196771371        4.5292746404
 Pt         4.1982168407        4.0315159049        4.5264155993
 Pt         6.9704791294        4.0366715730        4.5269709517
 Pt         9.7648409657        4.0208672957        4.5206139025
 Pt        12.5711515647        4.0260050732        4.5209252871
 Pt        15.3530448405        4.0352875357        4.5196390713
 Pt         2.7838305159        6.4575718521        4.5289736108
 Pt         5.5778262698        6.4381106357        4.5318611904
 Pt         8.3747927086        6.4450047200        4.5100718273
 Pt        11.1661802354        6.4489582569        4.5083432557
 Pt        13.9582187171        6.4395733857        4.5184838624
 Pt        16.7648919826        6.4494008557        4.5280437672
 Pt         4.1976144820        8.8646264141        4.5247110948
 Pt         6.9723139250        8.8712244090        4.5255340280
 Pt         9.7674825333        8.8645582124        4.5097521567
 Pt        12.5703285393        8.8674186595        4.5187549413
 Pt        15.3512696966        8.8741531601        4.5220021280
 Pt        18.1431283186        8.8564545105        4.5294798038
 Pt         5.5777403278       11.2729998176        4.5264697555
 Pt         8.3817490818       11.2843969084        4.5206499112
 Pt        11.1634546231       11.2919407723        4.5228172241
 Pt        13.9569836352       11.2765992615        4.5226168180
 Pt        16.7652406306       11.2854550174        4.5284154191
 Pt        19.5369611472       11.2922419809        4.5272874404
 Pt         6.9692149630       13.7113992370        4.5300555007
 Pt         9.7657058327       13.6935872544        4.5220069677
 Pt        12.5752553665       13.7019372353        4.5264882537
 Pt        15.3515412639       13.7084457542        4.5284365251
 Pt        18.1451758590       13.6888808066        4.5294066104
 Pt        20.9507163385       13.7021198929        4.5323747655
 Pt         0.0002106907       -0.0025146793        6.7857967463
 Pt         2.7902088543       -0.0042447114        6.7531234369
 Pt         5.5810427497       -0.0022709325        6.8681558414
 Pt         8.3746898879        0.0002237095        6.7856338560
 Pt        11.1653946357        0.0019507493        6.7585811236
 Pt        13.9607327895       -0.0008090551        6.8881603418
 Pt         1.3945225187        2.4170732301        6.8737408699
 Pt         4.1862400544        2.4159487538        6.7850730558
 Pt         6.9801494605        2.4163086442        6.7524408585
 Pt         9.7700635780        2.4210517932        6.8388988847
 Pt        12.5594677978        2.4212518478        6.7863571496
 Pt        15.3529703274        2.4209337524        6.7556704209
 Pt         2.7908467599        4.8353248836        6.7569169624
 Pt         5.5817699227        4.8329528479        6.8685981360
 Pt         8.3766216394        4.8403729696        6.7858665348
 Pt        11.1606813194        4.8399151261        6.7578557590
 Pt        13.9555475861        4.8350693989        6.8315160020
 Pt        16.7469260689        4.8362867552        6.7852848541
 Pt         4.1893879392        7.2511467980        6.7887920408
 Pt         6.9907726934        7.2491870521        6.7664860794
 Pt         9.7650621629        7.2510897952        6.7977247988
 Pt        12.5525083020        7.2496564960        6.7734903259
 Pt        15.3502019330        7.2515825336        6.7528560526
 Pt        18.1469151876        7.2518591150        6.8763834484
 Pt         5.5871823619        9.6664341635        6.8550104437
 Pt         8.3809004387        9.6651547779        6.7840670711
 Pt        11.1577679310        9.6654217053        6.7597641172
 Pt        13.9514938736        9.6669452612        6.8358264760
 Pt        16.7456617112        9.6686613328        6.7870704723
 Pt        19.5446150044        9.6691727738        6.7532573140
 Pt         6.9824269454       12.0857326716        6.7537162209
 Pt         9.7711762305       12.0861807570        6.8403657255
 Pt        12.5592937082       12.0839454321        6.7856396127
 Pt        15.3522560126       12.0849444889        6.7559885467
 Pt        18.1471110415       12.0864469449        6.8772908683
 Pt        20.9398248213       12.0864841608        6.7877316702
  O         1.3544656730        2.4149173278        9.4754633181
  H         1.8752066540        3.2150597074        9.7638591515
  H         1.8941721463        1.6279856196        9.7578236824
  O         2.7176931053        4.8355181090        9.9059367345
  H         2.6972660432        4.8374361847        8.9034317629
  H         3.6997324372        4.8223431540       10.0509227900
  O         5.5191956474        4.8160364939        9.4759223557
  H         6.0214470178        5.6252670969        9.7535323525
  H         6.0723595932        4.0377672329        9.7683073196
  O         6.9235429970        2.4443647044        9.9070036956
  H         6.9050200607        2.4344729765        8.9048115641
  H         7.9053146755        2.4237252593       10.0570067843
  O         5.5262660603        0.0000510009        9.4784461776
  H         6.0557524249        0.7946191556        9.7612247719
  H         6.0612327404       -0.7906872255        9.7590054414
  O         2.7482175027       -0.0011867213        9.9113983833
  H         2.7075803245       -0.0289876096        8.9113607684
  H         3.7333943312        0.0051542996       10.0400401253
  O         5.5129950907        9.6779832249        9.4808462540
  H         6.0563350272       10.4578236124        9.7725224397
  H         6.0172057488        8.8708086394        9.7620390087
  O         6.9222153917       12.1186931315        9.9082785236
  H         6.9092079180       12.0882308656        8.9063740495
  H         7.9039259852       12.1202089597       10.0629249378
  O         9.7215695374       12.0816458754        9.5602975170
  H        10.2582751315       12.8749935716        9.8289471154
  H        10.2493284618       11.3041236542        9.8537489005
  O        11.2268677512        9.4783531464        9.9134001632
  H        11.1033662903        9.5832599221        8.9166130464
  H        12.2381139174        9.5262070655        9.9668720590
  O        10.0321904077        7.2659493907        9.9299968481
  H         9.8224316790        7.2647181166        8.9160550656
  H        10.6229462559        8.1619893929       10.0468931964
  H        10.6071626806        6.3651555424       10.0459962101
  O         6.8573153063        7.2258061477        9.9252214183
  H         7.0580522308        7.2413425880        8.9395448170
  H         7.7439621874        7.2265837665       10.3386474270
  O         9.7158715630        2.3954416254        9.5589943796
  H        10.2407704060        3.1695581151        9.8497628616
  H        10.2480374007        1.5969045766        9.8338956378
  O        11.1990995077        5.0285471012        9.9115363410
  H        11.0755770466        4.9202320925        8.9152141805
  H        12.2069500749        4.9825506433        9.9719015502
  O        13.8865703533        4.8451707449        9.5636572598
  H        14.4431007939        5.6244982204        9.8279146685
  H        14.3918323265        4.0402196890        9.8548868218
  O        15.2946121350        2.3883925340        9.9120299892
  H        15.2627924909        2.4532957167        8.9130297209
  H        16.2776848387        2.3873496480       10.0506299417
  O        13.9256171201       -0.0000876547        9.4086235038
  H        14.4467440564        0.7911071585        9.7156553775
  H        14.4425946659       -0.7921454110        9.7188848890
  O        11.0971814570       -0.0011901487        9.9103747268
  H        11.0686759566        0.0200879828        8.9074770251
  H        12.0777019689       -0.0058818659       10.0497281167
  O        13.8975130387        9.6532150387        9.5603753535
  H        14.4039101047       10.4613660429        9.8444031065
  H        14.4619502289        8.8747922306        9.8222108625
  O        15.2953481148       12.0614610259        9.9114985206
  H        15.2625871319       12.0387206780        8.9108135376
  H        16.2780711355       12.0635004523       10.0506365785
  O        18.1202086634       12.0679898671        9.4747745911
  H        18.6390146631       12.8693028618        9.7601173065
  H        18.6569417059       11.2813952684        9.7651465819
  O        19.5011184437        9.6723410370        9.9038139056
  H        19.4663681063        9.6701860125        8.9016826742
  H        20.4865325827        9.6802954796       10.0340745375
  O        18.1176063739        7.2717500009        9.4760759937
  H        18.6546374559        8.0576532999        9.7662761464
  H        18.6346840574        6.4699277659        9.7649626704
  O        15.2998659535        7.2813089909        9.9114220502
  H        15.2556874193        7.2632348253        8.9104093432
  H        16.2850041947        7.2810210472       10.0398717254
     217
 i =       31, E =    -17723.0228060017
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0106898811        1.6130992176        4.5292342946
 Pt         2.7848836691        1.6202827781        4.5278721852
 Pt         5.5784682804        1.5998378085        4.5273489656
 Pt         8.3846164600        1.6104771917        4.5208069527
 Pt        11.1621278393        1.6168755614        4.5229356612
 Pt        13.9548886521        1.5983852683        4.5317535028
 Pt         1.3936914571        4.0195419508        4.5292559231
 Pt         4.1985513444        4.0316584442        4.5263999013
 Pt         6.9704868949        4.0368366448        4.5274160486
 Pt         9.7646637804        4.0207207282        4.5206527367
 Pt        12.5712727032        4.0260208877        4.5209527664
 Pt        15.3526735560        4.0354619956        4.5197049290
 Pt         2.7837706537        6.4576652751        4.5290459227
 Pt         5.5778036223        6.4379755088        4.5319186333
 Pt         8.3749381202        6.4448716196        4.5099714726
 Pt        11.1662272943        6.4490382694        4.5083226955
 Pt        13.9580479953        6.4395105715        4.5186933115
 Pt        16.7649514189        6.4495265924        4.5280474833
 Pt         4.1976792096        8.8646330975        4.5247225804
 Pt         6.9722909534        8.8713816815        4.5254371374
 Pt         9.7673384214        8.8645307468        4.5096888382
 Pt        12.5705754183        8.8673290280        4.5187792040
 Pt        15.3510514237        8.8742435186        4.5220503392
 Pt        18.1430846410        8.8561817958        4.5293788110
 Pt         5.5777354027       11.2729922414        4.5264504869
 Pt         8.3818064029       11.2842967018        4.5208676627
 Pt        11.1633586085       11.2920829162        4.5227508799
 Pt        13.9569508423       11.2763583404        4.5226214650
 Pt        16.7654552457       11.2854872477        4.5285846356
 Pt        19.5369442491       11.2923106904        4.5274840800
 Pt         6.9691515207       13.7115036863        4.5302058698
 Pt         9.7657237660       13.6932730454        4.5218265154
 Pt        12.5753745592       13.7018689068        4.5264539822
 Pt        15.3513768466       13.7085008800        4.5283053183
 Pt        18.1451526350       13.6886663007        4.5294460316
 Pt        20.9511912356       13.7022966122        4.5323578337
 Pt         0.0003248808       -0.0025813154        6.7853614610
 Pt         2.7902125661       -0.0043109552        6.7527695943
 Pt         5.5807705928       -0.0023137686        6.8681636841
 Pt         8.3747296892        0.0001730748        6.7852836522
 Pt        11.1654502388        0.0018776256        6.7579976970
 Pt        13.9609771931       -0.0006411694        6.8881804347
 Pt         1.3946183641        2.4170517235        6.8744017549
 Pt         4.1863113161        2.4159834795        6.7848823786
 Pt         6.9802480224        2.4163255517        6.7524831133
 Pt         9.7699660066        2.4209968252        6.8392521191
 Pt        12.5594889447        2.4212939283        6.7862400996
 Pt        15.3530219332        2.4209417416        6.7553134302
 Pt         2.7909760796        4.8352955601        6.7565373992
 Pt         5.5817470455        4.8329618078        6.8690076645
 Pt         8.3766118000        4.8404825461        6.7859816350
 Pt        11.1607519285        4.8399385985        6.7574786773
 Pt        13.9554658417        4.8350474070        6.8321882843
 Pt        16.7468206980        4.8363253033        6.7848466268
 Pt         4.1894635627        7.2512736035        6.7887390437
 Pt         6.9908877435        7.2490408869        6.7659768306
 Pt         9.7653059326        7.2512090810        6.7973272920
 Pt        12.5525159442        7.2496748337        6.7736386124
 Pt        15.3501963604        7.2516627963        6.7526650266
 Pt        18.1469902852        7.2516944639        6.8765228265
 Pt         5.5870901805        9.6664332614        6.8553621260
 Pt         8.3809926753        9.6651508492        6.7841204476
 Pt        11.1577805899        9.6654402994        6.7593573729
 Pt        13.9515741312        9.6669948031        6.8364465714
 Pt        16.7456047890        9.6687014930        6.7865540816
 Pt        19.5445534631        9.6691338527        6.7530692634
 Pt         6.9824466377       12.0855304436        6.7536808215
 Pt         9.7711350519       12.0862022863        6.8406017309
 Pt        12.5593028170       12.0839260020        6.7854404376
 Pt        15.3522430513       12.0849275014        6.7555846135
 Pt        18.1471717608       12.0863889452        6.8779590044
 Pt        20.9398419315       12.0865209396        6.7875187668
  O         1.3546397322        2.4153076018        9.4748236505
  H         1.8750148379        3.2147905371        9.7632411226
  H         1.8941981168        1.6277257655        9.7574034074
  O         2.7176801367        4.8355144097        9.9058541306
  H         2.6970839365        4.8374902569        8.9032725340
  H         3.7002075436        4.8223766725       10.0511566607
  O         5.5191293870        4.8152995963        9.4756741012
  H         6.0217643855        5.6256411377        9.7527923795
  H         6.0717574012        4.0379782658        9.7673805437
  O         6.9233020599        2.4442469593        9.9067207181
  H         6.9049192177        2.4347011345        8.9045051895
  H         7.9056982593        2.4237049263       10.0572677974
  O         5.5263466529        0.0003058433        9.4779470171
  H         6.0555687256        0.7943820586        9.7608393260
  H         6.0612111525       -0.7907590202        9.7586563624
  O         2.7484408245       -0.0010061979        9.9108020538
  H         2.7076451593       -0.0286594920        8.9105800843
  H         3.7336027607        0.0051168957       10.0402371566
  O         5.5129172487        9.6778788221        9.4803902136
  H         6.0558800158       10.4581656237        9.7722115769
  H         6.0170280781        8.8707733029        9.7614902776
  O         6.9221778134       12.1183802249        9.9078617693
  H         6.9091941611       12.0882076791        8.9058614288
  H         7.9039715555       12.1206734040       10.0631585640
  O         9.7222393710       12.0806999307        9.5597691648
  H        10.2579273593       12.8755571556        9.8288907011
  H        10.2487457654       11.3037333230        9.8533344292
  O        11.2262274067        9.4780239397        9.9134386593
  H        11.1025344355        9.5831907902        8.9160844727
  H        12.2369570827        9.5250969417        9.9681952103
  O        10.0318909416        7.2661704735        9.9303181188
  H         9.8223846697        7.2648525277        8.9170333841
  H        10.6230248594        8.1614354882       10.0459228479
  H        10.6070746299        6.3648978804       10.0452436339
  O         6.8559067840        7.2263787261        9.9244452892
  H         7.0574212738        7.2410609717        8.9394987959
  H         7.7432631226        7.2265705100       10.3383489227
  O         9.7158418171        2.3938921950        9.5582121542
  H        10.2411942323        3.1708831923        9.8496590152
  H        10.2475867065        1.5972511251        9.8335466034
  O        11.1991130360        5.0293310425        9.9121260608
  H        11.0753196182        4.9205243280        8.9154103512
  H        12.2062530665        4.9826476350        9.9725168683
  O        13.8859704545        4.8446762732        9.5642671376
  H        14.4429010205        5.6249337904        9.8278140335
  H        14.3917216301        4.0402132274        9.8544932481
  O        15.2948062506        2.3888213732        9.9115215163
  H        15.2628905663        2.4529992872        8.9122970375
  H        16.2779781718        2.3868838407       10.0508586447
  O        13.9241585465       -0.0000376501        9.4097377748
  H        14.4475163822        0.7920937032        9.7147588573
  H        14.4434068892       -0.7931730518        9.7180591969
  O        11.0969065828       -0.0012807481        9.9098901253
  H        11.0685650212        0.0196854890        8.9070656192
  H        12.0781556655       -0.0058114038       10.0499439916
  O        13.8976723710        9.6535497107        9.5600858240
  H        14.4043359092       10.4617620266        9.8441424047
  H        14.4614876956        8.8744358811        9.8220924807
  O        15.2958034860       12.0614990962        9.9112445985
  H        15.2626351340       12.0388453822        8.9102989807
  H        16.2784072560       12.0634211358       10.0508324478
  O        18.1203064964       12.0684919337        9.4741722418
  H        18.6386926169       12.8690020407        9.7595614608
  H        18.6570073574       11.2812474348        9.7645890302
  O        19.5012868438        9.6723481238        9.9036672245
  H        19.4663196787        9.6701539688        8.9014893113
  H        20.4867885898        9.6802428143       10.0344557961
  O        18.1178069130        7.2713233506        9.4754355080
  H        18.6548174985        8.0578506884        9.7657314590
  H        18.6345182898        6.4702474361        9.7642974657
  O        15.3003112865        7.2810850010        9.9112289584
  H        15.2557304430        7.2633801675        8.9100160192
  H        16.2853520849        7.2812116690       10.0401141021
     217
 i =       32, E =    -17723.0228590425
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0108459959        1.6130249791        4.5291791418
 Pt         2.7847481894        1.6202016051        4.5279232182
 Pt         5.5782321808        1.5996168685        4.5273147146
 Pt         8.3845121096        1.6102816825        4.5204927398
 Pt        11.1620419065        1.6168142807        4.5225634431
 Pt        13.9548236926        1.5981245695        4.5318990754
 Pt         1.3936061188        4.0191874546        4.5290667194
 Pt         4.1987585004        4.0316700753        4.5259362913
 Pt         6.9703397417        4.0368599007        4.5275353959
 Pt         9.7642412036        4.0203367782        4.5203038730
 Pt        12.5713840407        4.0258975342        4.5205432455
 Pt        15.3522865091        4.0356020010        4.5193932278
 Pt         2.7835803031        6.4576830530        4.5290729346
 Pt         5.5775608961        6.4377921654        4.5316073477
 Pt         8.3748312530        6.4445937257        4.5095002542
 Pt        11.1660603769        6.4490748414        4.5078930372
 Pt        13.9578059480        6.4394193547        4.5184391083
 Pt        16.7651929726        6.4495378336        4.5279304474
 Pt         4.1974939477        8.8645656609        4.5243423895
 Pt         6.9720922696        8.8715654241        4.5249875722
 Pt         9.7669338839        8.8645094764        4.5093440916
 Pt        12.5707521596        8.8672603976        4.5182844862
 Pt        15.3509197554        8.8743916325        4.5215727264
 Pt        18.1429963517        8.8557041318        4.5291106147
 Pt         5.5775344603       11.2730741559        4.5261359376
 Pt         8.3816915160       11.2840868242        4.5207728909
 Pt        11.1632256135       11.2923281441        4.5223302996
 Pt        13.9568842389       11.2763617947        4.5221812729
 Pt        16.7657082697       11.2855225864        4.5285982233
 Pt        19.5368113707       11.2923682599        4.5274487098
 Pt         6.9689134002       13.7116618467        4.5305331868
 Pt         9.7655707703       13.6928248228        4.5213112022
 Pt        12.5753417713       13.7018620199        4.5263758698
 Pt        15.3510255378       13.7086551129        4.5281267573
 Pt        18.1449684797       13.6882216524        4.5294130258
 Pt        20.9518156278       13.7025070176        4.5324781317
 Pt         0.0003372827       -0.0028066285        6.7847610876
 Pt         2.7899508443       -0.0045059065        6.7522013812
 Pt         5.5802520204       -0.0025204483        6.8682469800
 Pt         8.3745919266       -0.0000856080        6.7849095950
 Pt        11.1650264132        0.0015897153        6.7571060305
 Pt        13.9610354767       -0.0007085123        6.8889631848
 Pt         1.3944917042        2.4168256059        6.8750092062
 Pt         4.1861709215        2.4159264367        6.7843775219
 Pt         6.9801535911        2.4161721614        6.7522307549
 Pt         9.7695193657        2.4208853034        6.8388165199
 Pt        12.5591973741        2.4212036228        6.7857503869
 Pt        15.3529405270        2.4209091817        6.7544819206
 Pt         2.7909756979        4.8351812864        6.7557952752
 Pt         5.5814503125        4.8328332967        6.8683616661
 Pt         8.3762292404        4.8404225831        6.7856408481
 Pt        11.1607102952        4.8397378300        6.7561663830
 Pt        13.9553494197        4.8348427245        6.8320789134
 Pt        16.7466926715        4.8363459578        6.7840866311
 Pt         4.1893426815        7.2514136249        6.7883812217
 Pt         6.9907629156        7.2486697928        6.7648827326
 Pt         9.7653862805        7.2511885233        6.7960185482
 Pt        12.5524005276        7.2494854603        6.7729727390
 Pt        15.3501458004        7.2517980697        6.7517006912
 Pt        18.1469815981        7.2516511383        6.8769059214
 Pt         5.5867858144        9.6661984500        6.8548097823
 Pt         8.3807825955        9.6650473207        6.7839182502
 Pt        11.1575641073        9.6654939920        6.7582663470
 Pt        13.9515082314        9.6668945523        6.8356571163
 Pt        16.7454447345        9.6687166026        6.7856381303
 Pt        19.5443270211        9.6690194124        6.7526421604
 Pt         6.9822195972       12.0849736439        6.7534591884
 Pt         9.7707625542       12.0861076767        6.8400531162
 Pt        12.5592731897       12.0838245171        6.7849662079
 Pt        15.3521431560       12.0847195148        6.7548303657
 Pt        18.1471040143       12.0859795462        6.8787484731
 Pt        20.9395065861       12.0862373667        6.7870728723
  O         1.3550393565        2.4147034798        9.4744064220
  H         1.8745197744        3.2139059424        9.7638986777
  H         1.8938518044        1.6268749422        9.7584782707
  O         2.7172265010        4.8354650168        9.9069479177
  H         2.6940407107        4.8378534157        8.9044165087
  H         3.7003276809        4.8216454811       10.0507485091
  O         5.5176276487        4.8143680961        9.4764099165
  H         6.0201464333        5.6252916027        9.7531324040
  H         6.0705683385        4.0381236705        9.7683007660
  O         6.9230083288        2.4441013868        9.9077422841
  H         6.9031621587        2.4345596871        8.9055491520
  H         7.9058654606        2.4242693783       10.0577619653
  O         5.5256234607        0.0003121089        9.4776425007
  H         6.0543390724        0.7941057499        9.7617430674
  H         6.0600537673       -0.7906924659        9.7590293709
  O         2.7483545660       -0.0010041793        9.9110602267
  H         2.7051714874       -0.0294142030        8.9108551916
  H         3.7339233082        0.0048487645       10.0395565392
  O         5.5129337291        9.6772704709        9.4800260583
  H         6.0555412004       10.4573834664        9.7729876336
  H         6.0162682067        8.8696189296        9.7611136890
  O         6.9217412570       12.1181246332        9.9083685399
  H         6.9079816351       12.0871693364        8.9063373882
  H         7.9037588913       12.1202593119       10.0637727476
  O         9.7228554985       12.0783409218        9.5587552737
  H        10.2561534702       12.8748511955        9.8290947843
  H        10.2492233015       11.3020522875        9.8531678878
  O        11.2271612253        9.4784253661        9.9127229273
  H        11.1029566385        9.5861261453        8.9151783368
  H        12.2378994591        9.5251312151        9.9687229537
  O        10.0338508444        7.2682526454        9.9300957513
  H         9.8267940501        7.2667745251        8.9170520835
  H        10.6264646446        8.1627990929       10.0438318360
  H        10.6094048403        6.3678081691       10.0438361857
  O         6.8557277117        7.2269957140        9.9241020466
  H         7.0636089600        7.2401417592        8.9412399714
  H         7.7421864936        7.2264279538       10.3429657547
  O         9.7159979506        2.3930647700        9.5572148984
  H        10.2413244376        3.1716905441        9.8501937354
  H        10.2465710386        1.5973373578        9.8337359983
  O        11.2015090949        5.0301832997        9.9123229743
  H        11.0757649807        4.9186272708        8.9160481790
  H        12.2082392732        4.9818589544        9.9721268179
  O        13.8857820829        4.8439110119        9.5657769435
  H        14.4434580001        5.6248633258        9.8271297508
  H        14.3924617838        4.0397615022        9.8545811404
  O        15.2946779131        2.3892692142        9.9112614343
  H        15.2612983053        2.4546356195        8.9119775967
  H        16.2781480300        2.3863657600       10.0504554273
  O        13.9222986504       -0.0000694014        9.4053459977
  H        14.4475659794        0.7933518732        9.7090652360
  H        14.4434345480       -0.7942479943        9.7130099730
  O        11.0959458590       -0.0013651550        9.9101684739
  H        11.0654381949        0.0199989876        8.9074639847
  H        12.0777408055       -0.0054995591       10.0492740309
  O        13.8979340328        9.6531271307        9.5602774430
  H        14.4044774272       10.4613003607        9.8450848773
  H        14.4612490103        8.8736284869        9.8227844896
  O        15.2958611307       12.0614622368        9.9113805280
  H        15.2607684673       12.0385918576        8.9103648816
  H        16.2785950633       12.0626339211       10.0506100843
  O        18.1216226053       12.0663592585        9.4738926917
  H        18.6389362964       12.8666474142        9.7600653917
  H        18.6578420799       11.2792283521        9.7659932255
  O        19.5018281739        9.6723719815        9.9048227553
  H        19.4642123509        9.6699051138        8.9026992037
  H        20.4879588436        9.6801551532       10.0338154892
  O        18.1191641680        7.2731726093        9.4750875102
  H        18.6553693752        8.0596364700        9.7675092494
  H        18.6345308134        6.4722615653        9.7653680522
  O        15.3007266686        7.2807203534        9.9108787219
  H        15.2541841404        7.2630549728        8.9096265245
  H        16.2860271878        7.2818825767       10.0390325480
     217
 i =       33, E =    -17723.0228902805
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0110083190        1.6129787940        4.5291426269
 Pt         2.7846317473        1.6201382597        4.5279958516
 Pt         5.5781254433        1.5995119187        4.5272248432
 Pt         8.3843808963        1.6101049292        4.5202708382
 Pt        11.1618782124        1.6167103486        4.5222203404
 Pt        13.9548192147        1.5979682375        4.5319504699
 Pt         1.3935303324        4.0188902078        4.5289563619
 Pt         4.1989180050        4.0316952032        4.5256006564
 Pt         6.9702235095        4.0367298720        4.5276788616
 Pt         9.7639097007        4.0200741964        4.5200038163
 Pt        12.5714251415        4.0257040421        4.5201777558
 Pt        15.3519107973        4.0357061814        4.5191605892
 Pt         2.7834334834        6.4576212542        4.5290078137
 Pt         5.5772970766        6.4377127109        4.5312719583
 Pt         8.3747281509        6.4443388726        4.5090850787
 Pt        11.1659630779        6.4490624244        4.5074100777
 Pt        13.9576671376        6.4393742794        4.5182887297
 Pt        16.7652961601        6.4495486913        4.5277656884
 Pt         4.1973648334        8.8645750008        4.5240554839
 Pt         6.9719206579        8.8716252890        4.5245660280
 Pt         9.7666446111        8.8645289475        4.5089370584
 Pt        12.5708180061        8.8672188790        4.5178524849
 Pt        15.3507996335        8.8744853873        4.5211089636
 Pt        18.1429198302        8.8553843575        4.5289169490
 Pt         5.5773833809       11.2731414057        4.5258543105
 Pt         8.3814862001       11.2840004615        4.5207212821
 Pt        11.1631483863       11.2924098716        4.5219461495
 Pt        13.9568484544       11.2762900339        4.5218064146
 Pt        16.7659607829       11.2855569342        4.5285694438
 Pt        19.5366816795       11.2924162803        4.5274664426
 Pt         6.9688035145       13.7117081260        4.5307759773
 Pt         9.7654272445       13.6924850270        4.5208858408
 Pt        12.5753313932       13.7018275569        4.5261655291
 Pt        15.3507214421       13.7087002706        4.5279520886
 Pt        18.1448969293       13.6878229481        4.5293329134
 Pt        20.9522873346       13.7027078938        4.5325729730
 Pt         0.0003997776       -0.0030587645        6.7841345538
 Pt         2.7897028769       -0.0047626778        6.7517960965
 Pt         5.5797647627       -0.0026831018        6.8681648533
 Pt         8.3743739839       -0.0003522814        6.7844281003
 Pt        11.1647617655        0.0013248886        6.7564129662
 Pt        13.9610362800       -0.0007509819        6.8894730114
 Pt         1.3944359906        2.4166204246        6.8756376879
 Pt         4.1860680567        2.4158804485        6.7839284504
 Pt         6.9799870535        2.4159982950        6.7522190857
 Pt         9.7691488548        2.4206700027        6.8385862838
 Pt        12.5589415457        2.4211508764        6.7852337101
 Pt        15.3529230780        2.4209011029        6.7539686522
 Pt         2.7909899826        4.8350304521        6.7553648381
 Pt         5.5811302252        4.8327069059        6.8679487274
 Pt         8.3759987016        4.8404612151        6.7853951377
 Pt        11.1605911454        4.8395812415        6.7551331995
 Pt        13.9552131927        4.8346621590        6.8321326333
 Pt        16.7465107986        4.8363552274        6.7833210941
 Pt         4.1892783461        7.2514751060        6.7880079720
 Pt         6.9907558541        7.2483650222        6.7638567520
 Pt         9.7655593648        7.2511886137        6.7948526579
 Pt        12.5522953563        7.2494048177        6.7724977857
 Pt        15.3500358448        7.2518648156        6.7510025431
 Pt        18.1470568758        7.2515400832        6.8771054696
 Pt         5.5864463583        9.6660086947        6.8544487413
 Pt         8.3806104019        9.6648271600        6.7836911202
 Pt        11.1574129882        9.6654551141        6.7573573014
 Pt        13.9514801831        9.6668546833        6.8352317434
 Pt        16.7452856735        9.6686743760        6.7847153039
 Pt        19.5440588960        9.6688284789        6.7524551684
 Pt         6.9819942692       12.0844508917        6.7534320772
 Pt         9.7704959823       12.0860126517        6.8397393200
 Pt        12.5591075853       12.0836789856        6.7843843847
 Pt        15.3519981536       12.0845888526        6.7542492282
 Pt        18.1470908164       12.0856106498        6.8795519078
 Pt        20.9392769953       12.0860195394        6.7866754138
  O         1.3553838617        2.4139768422        9.4740001640
  H         1.8741158242        3.2130523945        9.7641404854
  H         1.8936481379        1.6259352128        9.7590907492
  O         2.7170396745        4.8354243678        9.9077214628
  H         2.6911156420        4.8382520487        8.9054366274
  H         3.7003486533        4.8209835263       10.0503064362
  O         5.5161080409        4.8131882710        9.4767634108
  H         6.0184882202        5.6252507466        9.7528282665
  H         6.0690368451        4.0379466726        9.7686479979
  O         6.9228162616        2.4441927989        9.9083532434
  H         6.9015227879        2.4345491859        8.9063439740
  H         7.9059835650        2.4246919331       10.0582115517
  O         5.5248280158        0.0004100671        9.4773198110
  H         6.0531537574        0.7937436132        9.7623283848
  H         6.0590160671       -0.7906901513        9.7591394031
  O         2.7483208569       -0.0009559676        9.9108605405
  H         2.7030283733       -0.0299137837        8.9107125198
  H         3.7341342583        0.0045691529       10.0388049375
  O         5.5125235080        9.6768367122        9.4798821076
  H         6.0549792257       10.4566188598        9.7734772978
  H         6.0155682243        8.8686086247        9.7603124968
  O         6.9214765190       12.1179511468        9.9083883395
  H         6.9069613208       12.0859915229        8.9063615291
  H         7.9034160243       12.1201332852       10.0643507766
  O         9.7229124532       12.0761407668        9.5583008166
  H        10.2544537998       12.8739442878        9.8291130106
  H        10.2497080554       11.3001371114        9.8528792010
  O        11.2278033015        9.4784074913        9.9115841708
  H        11.1033205105        9.5887538074        8.9148656642
  H        12.2380900032        9.5247441918        9.9695740646
  O        10.0357215899        7.2694747684        9.9298220372
  H         9.8301602382        7.2686614158        8.9167751180
  H        10.6297576609        8.1649645802       10.0419352091
  H        10.6115970009        6.3696557297       10.0426144160
  O         6.8557837153        7.2274489318        9.9242653666
  H         7.0689894828        7.2391178717        8.9422313255
  H         7.7397090712        7.2263559275       10.3470090960
  O         9.7159702776        2.3933225258        9.5568441992
  H        10.2410502568        3.1720593184        9.8501481392
  H        10.2458979157        1.5970260582        9.8338742306
  O        11.2034807797        5.0315626412        9.9125439462
  H        11.0765407956        4.9171503453        8.9173690059
  H        12.2100176653        4.9811005138        9.9717750772
  O        13.8858717132        4.8433955534        9.5665947457
  H        14.4437200068        5.6247051867        9.8266420501
  H        14.3930725448        4.0394493740        9.8547108285
  O        15.2946798621        2.3895255532        9.9106132147
  H        15.2601214286        2.4561075996        8.9111849512
  H        16.2782372751        2.3855833895       10.0499415235
  O        13.9212977201       -0.0000253939        9.4032373267
  H        14.4476787989        0.7941634073        9.7030943163
  H        14.4435623210       -0.7948984355        9.7076638490
  O        11.0953812452       -0.0015096541        9.9101255808
  H        11.0624736915        0.0199880945        8.9075667841
  H        12.0771522752       -0.0051589747       10.0485620625
  O        13.8985840837        9.6529170924        9.5606480227
  H        14.4046807561       10.4611978231        9.8456764203
  H        14.4606327909        8.8724987376        9.8232113882
  O        15.2961898434       12.0613225181        9.9113113265
  H        15.2592147555       12.0384372349        8.9102221863
  H        16.2787880298       12.0618650935       10.0502656580
  O        18.1225777588       12.0647120785        9.4736468288
  H        18.6391410933       12.8644770533        9.7601857152
  H        18.6587276174       11.2771870656        9.7668493821
  O        19.5025258918        9.6723535792        9.9056941822
  H        19.4622647153        9.6696442908        8.9036279478
  H        20.4890292946        9.6800321923       10.0333531153
  O        18.1202682028        7.2747450720        9.4748646269
  H        18.6561209519        8.0614813472        9.7687258387
  H        18.6346235172        6.4742368166        9.7659441396
  O        15.3013982253        7.2804285645        9.9104332051
  H        15.2528865479        7.2628906595        8.9090606241
  H        16.2866383047        7.2825941329       10.0379561097
     217
 i =       34, E =    -17723.0229233821
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0112043559        1.6129161467        4.5289304862
 Pt         2.7844204005        1.6200259071        4.5279073598
 Pt         5.5780471400        1.5995700869        4.5269532231
 Pt         8.3839366377        1.6096949738        4.5199717794
 Pt        11.1615399868        1.6163241877        4.5216489721
 Pt        13.9549369305        1.5979418348        4.5317473963
 Pt         1.3934638632        4.0184761552        4.5288355515
 Pt         4.1987824872        4.0315547096        4.5250229212
 Pt         6.9700251271        4.0361771572        4.5275121337
 Pt         9.7635831740        4.0197890284        4.5195146431
 Pt        12.5711781958        4.0253177513        4.5195241452
 Pt        15.3515941440        4.0356904946        4.5186980612
 Pt         2.7832627239        6.4572550944        4.5286781280
 Pt         5.5768519109        6.4378302799        4.5304951830
 Pt         8.3744211484        6.4439648907        4.5082477970
 Pt        11.1659005655        6.4488505361        4.5063284778
 Pt        13.9576039725        6.4393192560        4.5179381979
 Pt        16.7651498609        6.4493761190        4.5272755296
 Pt         4.1970789407        8.8646808190        4.5235654140
 Pt         6.9715509139        8.8714835018        4.5239793350
 Pt         9.7663585176        8.8646760580        4.5079742589
 Pt        12.5705459998        8.8672645001        4.5171468030
 Pt        15.3507943221        8.8744668354        4.5201543027
 Pt        18.1429113929        8.8552953210        4.5285928476
 Pt         5.5771670009       11.2732656333        4.5254159096
 Pt         8.3809092187       11.2840108005        4.5203990703
 Pt        11.1630913142       11.2921305151        4.5212556874
 Pt        13.9568307307       11.2762829816        4.5211143817
 Pt        16.7662272204       11.2856069881        4.5282016861
 Pt        19.5365302296       11.2924165829        4.5273464880
 Pt         6.9689158368       13.7114969993        4.5309077639
 Pt         9.7651893052       13.6922722505        4.5202748360
 Pt        12.5751263856       13.7017854330        4.5255470516
 Pt        15.3504397426       13.7085384364        4.5276391085
 Pt        18.1449314943       13.6873179449        4.5290655504
 Pt        20.9524314994       13.7028236804        4.5325453759
 Pt         0.0004902984       -0.0035756353        6.7833345521
 Pt         2.7891818888       -0.0053397447        6.7513658267
 Pt         5.5790630184       -0.0029440853        6.8677887150
 Pt         8.3737576854       -0.0008796114        6.7836398583
 Pt        11.1643896417        0.0009048370        6.7557274348
 Pt        13.9606579796       -0.0009698805        6.8901813570
 Pt         1.3943067287        2.4162418653        6.8765166032
 Pt         4.1858573210        2.4157560432        6.7833170056
 Pt         6.9795029866        2.4155366220        6.7524426454
 Pt         9.7685594952        2.4202155606        6.8381468582
 Pt        12.5583739639        2.4210214365        6.7843281248
 Pt        15.3529285593        2.4208833858        6.7535749176
 Pt         2.7908636932        4.8346892461        6.7551371872
 Pt         5.5804538218        4.8324167300        6.8672814832
 Pt         8.3758019631        4.8404541917        6.7850202565
 Pt        11.1602388998        4.8391833967        6.7537011177
 Pt        13.9549245980        4.8343976296        6.8320131002
 Pt        16.7461855221        4.8362874600        6.7821875130
 Pt         4.1892018116        7.2514082703        6.7873187552
 Pt         6.9907363799        7.2480698187        6.7623901467
 Pt         9.7657609786        7.2510990351        6.7929109950
 Pt        12.5521781997        7.2493569003        6.7716964931
 Pt        15.3497169567        7.2518876244        6.7501027593
 Pt        18.1472188404        7.2513344091        6.8772227027
 Pt         5.5858295152        9.6656080144        6.8537267760
 Pt         8.3801680469        9.6642204837        6.7831700290
 Pt        11.1572695284        9.6653684396        6.7559929999
 Pt        13.9512950886        9.6667701394        6.8344590061
 Pt        16.7450447586        9.6684077682        6.7833861398
 Pt        19.5435014230        9.6683490965        6.7525098061
 Pt         6.9814548576       12.0836011728        6.7536331228
 Pt         9.7700763231       12.0857027771        6.8393045338
 Pt        12.5586177151       12.0832543931        6.7832908087
 Pt        15.3515809198       12.0844993356        6.7535988862
 Pt        18.1470535646       12.0849595601        6.8807582676
 Pt        20.9389907986       12.0856358805        6.7861890688
  O         1.3558181117        2.4115691796        9.4737814380
  H         1.8737511785        3.2116757235        9.7645974579
  H         1.8935093026        1.6240482097        9.7599623936
  O         2.7161088616        4.8353456943        9.9093366382
  H         2.6857295577        4.8391128619        8.9074878182
  H         3.7001544210        4.8196461573       10.0486842985
  O         5.5123816331        4.8127998451        9.4770302355
  H         6.0141801564        5.6239449405        9.7515380735
  H         6.0665544200        4.0363877106        9.7696371336
  O         6.9225907549        2.4445768755        9.9098104514
  H         6.8987793719        2.4345345627        8.9078153032
  H         7.9054518767        2.4254579197       10.0583865184
  O         5.5229466232       -0.0001418679        9.4773498638
  H         6.0511205364        0.7935831815        9.7634750833
  H         6.0569024982       -0.7906466100        9.7591417246
  O         2.7476672730       -0.0010947513        9.9107364725
  H         2.6995265188       -0.0307999152        8.9106854997
  H         3.7338494037        0.0039952928       10.0363318704
  O         5.5112902689        9.6757671384        9.4800906435
  H         6.0540078871       10.4550217123        9.7744402599
  H         6.0142015788        8.8669560019        9.7583471097
  O         6.9205788673       12.1182266537        9.9082820598
  H         6.9056809254       12.0831510595        8.9063308181
  H         7.9024004369       12.1198453414       10.0648286573
  O         9.7219056706       12.0721106950        9.5583778710
  H        10.2513106283       12.8706058171        9.8289930569
  H        10.2507813944       11.2971590453        9.8523377688
  O        11.2286804381        9.4781500691        9.9112895425
  H        11.1048596062        9.5939751915        8.9136658523
  H        12.2384017906        9.5241341745        9.9703504535
  O        10.0402815776        7.2719770367        9.9285849137
  H         9.8355921557        7.2722192810        8.9151595184
  H        10.6358338796        8.1699402026       10.0389512735
  H        10.6162350538        6.3724823163       10.0408465699
  O         6.8547178407        7.2272730788        9.9227157667
  H         7.0791243212        7.2370330974        8.9444367719
  H         7.7359265098        7.2263273397       10.3566158127
  O         9.7153969439        2.3934253028        9.5571256030
  H        10.2406446038        3.1723770138        9.8499593262
  H        10.2446024786        1.5972294429        9.8340148850
  O        11.2082604689        5.0334304951        9.9137374725
  H        11.0783479363        4.9144460586        8.9193621164
  H        12.2137546360        4.9798819416        9.9710412984
  O        13.8863289610        4.8427624385        9.5669740106
  H        14.4442643385        5.6241629984        9.8260747583
  H        14.3944086538        4.0389655945        9.8553172810
  O        15.2941954120        2.3892337581        9.9091194041
  H        15.2587999614        2.4592882433        8.9099798065
  H        16.2778481591        2.3839546564       10.0479599854
  O        13.9196061505       -0.0001314624        9.3986193403
  H        14.4486954165        0.7951916940        9.6920815518
  H        14.4444780497       -0.7953686701        9.6977839582
  O        11.0937882491       -0.0016141072        9.9101777171
  H        11.0570687586        0.0196986836        8.9078594169
  H        12.0758871892       -0.0044147385       10.0464692359
  O        13.8991556923        9.6524009445        9.5613516889
  H        14.4056191063       10.4607597694        9.8468891969
  H        14.4597074613        8.8706169094        9.8240426982
  O        15.2958051794       12.0610172422        9.9111639323
  H        15.2569205937       12.0382059655        8.9104346072
  H        16.2792080152       12.0603069277       10.0487665634
  O        18.1238988720       12.0599332267        9.4739021314
  H        18.6403410913       12.8612883098        9.7606069716
  H        18.6600120217       11.2739117158        9.7678991329
  O        19.5032864922        9.6723160408        9.9073713660
  H        19.4590254080        9.6690956333        8.9055460164
  H        20.4907927045        9.6797504040       10.0318069083
  O        18.1219111965        7.2792997472        9.4752418881
  H        18.6574555609        8.0646249758        9.7705979069
  H        18.6355739776        6.4773648846        9.7672171825
  O        15.3015571436        7.2801806906        9.9094561953
  H        15.2510475936        7.2626397978        8.9084820619
  H        16.2878640107        7.2840065140       10.0350930716
     217
 i =       35, E =    -17723.0229675748
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0112137547        1.6129348181        4.5288515279
 Pt         2.7843867867        1.6199962614        4.5278284119
 Pt         5.5781262395        1.5997281743        4.5267915115
 Pt         8.3837081771        1.6095557925        4.5200088375
 Pt        11.1613366378        1.6161011901        4.5215395982
 Pt        13.9550746252        1.5980588891        4.5315281373
 Pt         1.3934756203        4.0184290950        4.5289095169
 Pt         4.1985306913        4.0314497834        4.5249651649
 Pt         6.9699761827        4.0358412847        4.5273711273
 Pt         9.7636178499        4.0198024377        4.5194445945
 Pt        12.5709453330        4.0251687153        4.5193919378
 Pt        15.3516297065        4.0355479358        4.5186187226
 Pt         2.7832292310        6.4569983187        4.5284596112
 Pt         5.5767350859        6.4379543924        4.5302039447
 Pt         8.3742872600        6.4438744250        4.5079888399
 Pt        11.1660078618        6.4486771175        4.5059290702
 Pt        13.9576764756        6.4393071031        4.5178884973
 Pt        16.7649012595        6.4492616510        4.5270296944
 Pt         4.1969645807        8.8648076916        4.5235157691
 Pt         6.9714252976        8.8712992553        4.5238934879
 Pt         9.7663877595        8.8647746270        4.5075585329
 Pt        12.5703063810        8.8672976338        4.5170206579
 Pt        15.3508479462        8.8743445363        4.5198798400
 Pt        18.1429965602        8.8555347737        4.5285190536
 Pt         5.5771481572       11.2732910235        4.5253662353
 Pt         8.3806202663       11.2841265551        4.5202800408
 Pt        11.1630583801       11.2918179482        4.5210595337
 Pt        13.9568782164       11.2762421595        4.5209668679
 Pt        16.7662124494       11.2856298251        4.5279790199
 Pt        19.5365352940       11.2923559996        4.5273382996
 Pt         6.9690953613       13.7112685326        4.5307797164
 Pt         9.7651792139       13.6923949532        4.5202242413
 Pt        12.5749758691       13.7017735197        4.5251837329
 Pt        15.3504921481       13.7082981392        4.5275039129
 Pt        18.1450537845       13.6872736045        4.5289598665
 Pt        20.9521183781       13.7027364781        4.5324000664
 Pt         0.0004961003       -0.0037957220        6.7832305926
 Pt         2.7890135191       -0.0056215733        6.7514232769
 Pt         5.5788748040       -0.0030096673        6.8673876909
 Pt         8.3734276777       -0.0010955832        6.7833588824
 Pt        11.1643846025        0.0007996976        6.7558885882
 Pt        13.9603191869       -0.0010753879        6.8900540274
 Pt         1.3942912948        2.4160999861        6.8767359620
 Pt         4.1857804229        2.4156632358        6.7832580993
 Pt         6.9792268255        2.4153223669        6.7528107083
 Pt         9.7684147885        2.4199470374        6.8381405334
 Pt        12.5581711817        2.4209715042        6.7840247052
 Pt        15.3529696122        2.4208547444        6.7538267754
 Pt         2.7907348505        4.8345260759        6.7555139164
 Pt         5.5801929106        4.8322942329        6.8672746372
 Pt         8.3758987920        4.8404329278        6.7849734251
 Pt        11.1600339056        4.8390367939        6.7536952487
 Pt        13.9547661504        4.8343532704        6.8320141125
 Pt        16.7460492354        4.8362194629        6.7819564044
 Pt         4.1892287747        7.2512347424        6.7870642583
 Pt         6.9907851968        7.2480916597        6.7620767410
 Pt         9.7658491535        7.2510501494        6.7923818983
 Pt        12.5521717869        7.2494341810        6.7715687491
 Pt        15.3495332612        7.2518138768        6.7501380458
 Pt        18.1473165587        7.2511860002        6.8769591398
 Pt         5.5855750707        9.6654732154        6.8536190462
 Pt         8.3800074516        9.6638785349        6.7828885809
 Pt        11.1572908686        9.6652667529        6.7559178939
 Pt        13.9512136702        9.6667718231        6.8345045943
 Pt        16.7449510539        9.6681928784        6.7831089983
 Pt        19.5432809600        9.6680842368        6.7528572030
 Pt         6.9812232960       12.0833720227        6.7539169922
 Pt         9.7699853956       12.0854677108        6.8393521252
 Pt        12.5582808996       12.0830146275        6.7828344430
 Pt        15.3513350604       12.0845532140        6.7536402598
 Pt        18.1470532541       12.0847678043        6.8810319263
 Pt        20.9390102611       12.0855278133        6.7861867450
  O         1.3559945155        2.4106828860        9.4739227166
  H         1.8736437132        3.2108580873        9.7643048997
  H         1.8939118336        1.6229320609        9.7598613267
  O         2.7157422530        4.8353371838        9.9098333960
  H         2.6838913750        4.8395218135        8.9080560296
  H         3.6998357695        4.8191805917       10.0475868992
  O         5.5105352503        4.8113664259        9.4767268085
  H         6.0124509700        5.6238606170        9.7504143760
  H         6.0648450373        4.0360143991        9.7693202416
  O         6.9220969910        2.4449489911        9.9100025369
  H         6.8980825153        2.4346419088        8.9081442174
  H         7.9052545290        2.4256360576       10.0581258040
  O         5.5221240100       -0.0000052932        9.4776330534
  H         6.0502560768        0.7933714075        9.7635546967
  H         6.0562739364       -0.7909061564        9.7589206304
  O         2.7470998342       -0.0012487592        9.9104001114
  H         2.6987306843       -0.0309009697        8.9104369340
  H         3.7334368896        0.0037493572       10.0348582471
  O         5.5104286683        9.6757023675        9.4803386634
  H         6.0534145763       10.4543494788        9.7745807178
  H         6.0137916803        8.8663208268        9.7570823267
  O         6.9200961995       12.1185898757        9.9078286489
  H         6.9057502546       12.0816106136        8.9058583547
  H         7.9018023543       12.1199528877       10.0646478341
  O         9.7205207301       12.0705117436        9.5589629684
  H        10.2503551679       12.8687216601        9.8288468801
  H        10.2511243738       11.2961351041        9.8520806886
  O        11.2281170699        9.4779366337        9.9110658940
  H        11.1057941164        9.5956419704        8.9138497841
  H        12.2383587495        9.5235265835        9.9706511918
  O        10.0427391956        7.2725248459        9.9274163580
  H         9.8364766359        7.2733943489        8.9143835826
  H        10.6377382066        8.1723473276       10.0381737904
  H        10.6180825790        6.3726904541       10.0404492530
  O         6.8552801576        7.2266550900        9.9230236540
  H         7.0823987739        7.2360647221        8.9443919878
  H         7.7323291563        7.2264128590       10.3599749711
  O         9.7147368808        2.3941862111        9.5578020255
  H        10.2402947914        3.1720588357        9.8494653622
  H        10.2444687292        1.5972617931        9.8340744151
  O        11.2099763939        5.0338520570        9.9140943071
  H        11.0794437662        4.9139285661        8.9205891786
  H        12.2158210139        4.9796619149        9.9709312944
  O        13.8869759744        4.8425327498        9.5662180937
  H        14.4442885999        5.6239193754        9.8261766931
  H        14.3947189941        4.0391302475        9.8556138314
  O        15.2938527064        2.3887170874        9.9083145236
  H        15.2590939995        2.4605931732        8.9091002558
  H        16.2774870198        2.3829968000       10.0466594700
  O        13.9192646718       -0.0000266199        9.3975678299
  H        14.4497791490        0.7951939401        9.6881583589
  H        14.4455981489       -0.7952300927        9.6942992350
  O        11.0933204712       -0.0016773372        9.9101056484
  H        11.0553121353        0.0191714133        8.9076855446
  H        12.0751996819       -0.0040707822       10.0452309358
  O        13.8993280314        9.6523974092        9.5616880223
  H        14.4062942177       10.4604857738        9.8470744237
  H        14.4591720585        8.8700167438        9.8241453908
  O        15.2958731591       12.0608611826        9.9111880975
  H        15.2566035315       12.0382295770        8.9103516798
  H        16.2790580641       12.0596630810       10.0476613281
  O        18.1239550098       12.0596643184        9.4743448488
  H        18.6406028881       12.8598437489        9.7602757220
  H        18.6607129235       11.2723780977        9.7677776008
  O        19.5035480152        9.6722778177        9.9077608425
  H        19.4582199892        9.6688505732        8.9060743911
  H        20.4910730903        9.6795804785       10.0309849083
  O        18.1221813870        7.2799606853        9.4758113320
  H        18.6583970530        8.0661879227        9.7708100367
  H        18.6359242986        6.4789230614        9.7671561067
  O        15.3018110890        7.2802643523        9.9092806453
  H        15.2508209789        7.2626997871        8.9081208389
  H        16.2878935973        7.2846409334       10.0335933272
     217
 i =       36, E =    -17723.0230043002
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0111526478        1.6129872614        4.5288139754
 Pt         2.7844128647        1.6199828796        4.5277305896
 Pt         5.5782746732        1.5999622273        4.5266051651
 Pt         8.3834645410        1.6094660899        4.5202022567
 Pt        11.1610859172        1.6158456776        4.5215777660
 Pt        13.9552688988        1.5982375659        4.5312246469
 Pt         1.3935208871        4.0184941480        4.5291070944
 Pt         4.1981127633        4.0313091627        4.5250962384
 Pt         6.9699509956        4.0354864234        4.5272171310
 Pt         9.7637832069        4.0198978089        4.5195250718
 Pt        12.5706321976        4.0250656213        4.5194293144
 Pt        15.3518077068        4.0352753594        4.5186654494
 Pt         2.7832023144        6.4566807782        4.5282114191
 Pt         5.5767004974        6.4380630320        4.5300031554
 Pt         8.3741714318        6.4438333666        4.5078382202
 Pt        11.1662395021        6.4484392283        4.5056678546
 Pt        13.9578013789        6.4392745790        4.5179327215
 Pt        16.7645235823        6.4491251679        4.5267821454
 Pt         4.1968355629        8.8649880485        4.5236233481
 Pt         6.9713254942        8.8710536556        4.5239583611
 Pt         9.7665216441        8.8648779630        4.5071942137
 Pt        12.5700233412        8.8673149057        4.5170804824
 Pt        15.3509309550        8.8741284098        4.5197901946
 Pt        18.1431635960        8.8559725625        4.5284883349
 Pt         5.5771870436       11.2732856492        4.5254617690
 Pt         8.3803383357       11.2843058320        4.5202032674
 Pt        11.1629638145       11.2913901011        4.5209663951
 Pt        13.9569681334       11.2761490801        4.5209773803
 Pt        16.7660742578       11.2856504703        4.5277550641
 Pt        19.5366055307       11.2922355254        4.5274050538
 Pt         6.9693283701       13.7109617932        4.5305070786
 Pt         9.7652698374       13.6926687552        4.5203774628
 Pt        12.5747649003       13.7017701491        4.5247701318
 Pt        15.3506893050       13.7079192104        4.5273474816
 Pt        18.1452348634       13.6873817875        4.5289086862
 Pt        20.9515141464       13.7025185120        4.5321264186
 Pt         0.0004296330       -0.0040135869        6.7833789591
 Pt         2.7889109793       -0.0059227941        6.7516575409
 Pt         5.5787597371       -0.0030524014        6.8667264294
 Pt         8.3730652355       -0.0013104831        6.7831686771
 Pt        11.1644733980        0.0007532447        6.7564664644
 Pt        13.9598206470       -0.0011923030        6.8895290006
 Pt         1.3942930335        2.4159529053        6.8768042324
 Pt         4.1856947073        2.4155017426        6.7833966459
 Pt         6.9789054549        2.4151049229        6.7533867413
 Pt         9.7683400842        2.4196140000        6.8382792612
 Pt        12.5580074882        2.4209130495        6.7838044038
 Pt        15.3530211000        2.4207823410        6.7543914106
 Pt         2.7905170455        4.8343534673        6.7563032874
 Pt         5.5799772533        4.8321537753        6.8674923090
 Pt         8.3761167398        4.8403452153        6.7850085327
 Pt        11.1598044293        4.8389127025        6.7542531957
 Pt        13.9545646227        4.8343649689        6.8320147959
 Pt        16.7459264942        4.8361126634        6.7820030589
 Pt         4.1892974572        7.2509161035        6.7868445959
 Pt         6.9908586217        7.2482116988        6.7621285251
 Pt         9.7659198873        7.2509825088        6.7920183155
 Pt        12.5521961596        7.2495724365        6.7716198987
 Pt        15.3493258961        7.2516707928        6.7505487047
 Pt        18.1474042536        7.2509638031        6.8763671992
 Pt         5.5853220588        9.6653669142        6.8536684273
 Pt         8.3798800400        9.6634983114        6.7825321297
 Pt        11.1573644824        9.6651102110        6.7563410877
 Pt        13.9511319590        9.6667941916        6.8348526594
 Pt        16.7448495244        9.6678927093        6.7831385029
 Pt        19.5430957662        9.6677815154        6.7534812084
 Pt         6.9810027820       12.0832644892        6.7543283460
 Pt         9.7699273600       12.0850887391        6.8395487374
 Pt        12.5578479845       12.0827299520        6.7824100295
 Pt        15.3510310496       12.0846512246        6.7539597528
 Pt        18.1470423965       12.0846597605        6.8810258400
 Pt        20.9391285421       12.0854415801        6.7863916299
  O         1.3561821630        2.4094629645        9.4741931642
  H         1.8737293561        3.2099291673        9.7636358702
  H         1.8947140644        1.6216182336        9.7592644093
  O         2.7152647719        4.8353412953        9.9099829010
  H         2.6823981548        4.8399961896        8.9084497249
  H         3.6993865854        4.8187648672       10.0460336175
  O         5.5081849357        4.8099425379        9.4760309511
  H         6.0102940584        5.6233996111        9.7484780408
  H         6.0628559984        4.0353751265        9.7685146927
  O         6.9215411603        2.4453975330        9.9098530711
  H         6.8978114767        2.4348649809        8.9081652872
  H         7.9047969310        2.4257177626       10.0574910207
  O         5.5212393479       -0.0000131350        9.4781042577
  H         6.0495127940        0.7932662927        9.7633503606
  H         6.0557486748       -0.7912329175        9.7584349445
  O         2.7463509596       -0.0015181189        9.9098139284
  H         2.6985039915       -0.0307697234        8.9099188992
  H         3.7326876526        0.0035043715       10.0329463344
  O         5.5094162325        9.6755318271        9.4806136981
  H         6.0527510395       10.4538783783        9.7745721958
  H         6.0133811404        8.8659091795        9.7552996442
  O         6.9195517852       12.1191656837        9.9069291202
  H         6.9064401167       12.0796329294        8.9049912225
  H         7.9009953589       12.1202681847       10.0640784398
  O         9.7184999556       12.0688441025        9.5599790686
  H        10.2496777269       12.8663827797        9.8286019684
  H        10.2511562562       11.2953846598        9.8517541412
  O        11.2273283416        9.4779365990        9.9111027979
  H        11.1069399386        9.5968264196        8.9143798428
  H        12.2377184308        9.5225661716        9.9709558368
  O        10.0459945149        7.2725148336        9.9258032814
  H         9.8361350134        7.2742073339        8.9136211969
  H        10.6390018496        8.1748824310       10.0377159405
  H        10.6198992089        6.3722296943       10.0402291531
  O         6.8547520388        7.2255767783        9.9225294381
  H         7.0847930248        7.2349530541        8.9441321829
  H         7.7286681341        7.2265661815       10.3637442271
  O         9.7136685124        2.3946976287        9.5587468613
  H        10.2400934507        3.1718095510        9.8487847690
  H        10.2444995222        1.5975927024        9.8340391575
  O        11.2120720427        5.0336918231        9.9146351162
  H        11.0808444652        4.9139678785        8.9218108617
  H        12.2182487940        4.9797914737        9.9710421224
  O        13.8878558438        4.8424950902        9.5646162140
  H        14.4441751581        5.6237222578        9.8265834630
  H        14.3949057519        4.0394515338        9.8559793468
  O        15.2934394407        2.3878823918        9.9072066267
  H        15.2601906424        2.4619470969        8.9079501919
  H        16.2769639320        2.3817185342       10.0449185037
  O        13.9197698833        0.0000837408        9.3974954821
  H        14.4514326668        0.7946798754        9.6848732271
  H        14.4472913765       -0.7945484616        9.6913782862
  O        11.0928580982       -0.0016734626        9.9097685711
  H        11.0540174060        0.0182114641        8.9073865302
  H        12.0745489609       -0.0036711771       10.0436051941
  O        13.8992586643        9.6525561349        9.5620110348
  H        14.4073162661       10.4600138541        9.8469795766
  H        14.4585537083        8.8697126839        9.8240289140
  O        15.2958216121       12.0606915817        9.9110581093
  H        15.2568808814       12.0383806301        8.9102203616
  H        16.2789118335       12.0590296212       10.0461560499
  O        18.1235596345       12.0593980075        9.4749894336
  H        18.6411444024       12.8590546509        9.7597653209
  H        18.6610298484       11.2714918981        9.7668357506
  O        19.5034892371        9.6722375963        9.9078305826
  H        19.4579749626        9.6685812116        8.9062489998
  H        20.4910493155        9.6793604416       10.0299687001
  O        18.1220986339        7.2807283757        9.4766552553
  H        18.6592626543        8.0673443474        9.7702453499
  H        18.6366328286        6.4801323295        9.7667873750
  O        15.3018423275        7.2805266032        9.9090660240
  H        15.2510947136        7.2629149248        8.9078131124
  H        16.2877980598        7.2853369325       10.0318614861
     217
 i =       37, E =    -17723.0230430188
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0110675670        1.6129874289        4.5289501735
 Pt         2.7844623994        1.6199472449        4.5277569342
 Pt         5.5783104563        1.6000167350        4.5264637578
 Pt         8.3832961163        1.6094486081        4.5204590234
 Pt        11.1608060492        1.6156328616        4.5217304729
 Pt        13.9553639931        1.5981583229        4.5310845938
 Pt         1.3935370951        4.0185407184        4.5293989391
 Pt         4.1977134310        4.0312034715        4.5253744279
 Pt         6.9698668085        4.0353521140        4.5273199521
 Pt         9.7638294807        4.0198435956        4.5196903440
 Pt        12.5704822783        4.0250200607        4.5196089743
 Pt        15.3519068363        4.0349383161        4.5188322251
 Pt         2.7830380064        6.4564603333        4.5281127089
 Pt         5.5766846275        6.4378261316        4.5300099173
 Pt         8.3741013446        6.4437273486        4.5078189333
 Pt        11.1664811971        6.4482265744        4.5057311790
 Pt        13.9578236822        6.4391341324        4.5180099529
 Pt        16.7643030638        6.4490709508        4.5266856316
 Pt         4.1966186182        8.8651003116        4.5238216625
 Pt         6.9712176649        8.8709505380        4.5239761456
 Pt         9.7665296483        8.8648619320        4.5070582827
 Pt        12.5700082004        8.8672078744        4.5172190859
 Pt        15.3509149820        8.8739375122        4.5199678103
 Pt        18.1433127051        8.8562105433        4.5284370399
 Pt         5.5771777826       11.2732524171        4.5256387873
 Pt         8.3801935149       11.2843900620        4.5202644932
 Pt        11.1626455875       11.2911933323        4.5209315024
 Pt        13.9570334166       11.2759418403        4.5211051625
 Pt        16.7659069839       11.2856461422        4.5278017631
 Pt        19.5366498823       11.2920795007        4.5276665650
 Pt         6.9692661776       13.7108310078        4.5303469345
 Pt         9.7654083883       13.6927754109        4.5206335563
 Pt        12.5745577986       13.7017620965        4.5244792875
 Pt        15.3508013653       13.7075731102        4.5271204755
 Pt        18.1452705743       13.6874605470        4.5290734883
 Pt        20.9510976622       13.7022866568        4.5318878532
 Pt         0.0001527881       -0.0042622094        6.7836447200
 Pt         2.7888602296       -0.0062201009        6.7518159369
 Pt         5.5784878880       -0.0031882666        6.8657558200
 Pt         8.3727645090       -0.0015915454        6.7831224998
 Pt        11.1643805032        0.0006331321        6.7571478065
 Pt        13.9592733716       -0.0013324621        6.8887643209
 Pt         1.3942164689        2.4156604825        6.8767969523
 Pt         4.1854925197        2.4151771959        6.7836021434
 Pt         6.9785729611        2.4149239428        6.7539258401
 Pt         9.7681371982        2.4191951212        6.8383625579
 Pt        12.5578603825        2.4207853177        6.7835650466
 Pt        15.3529607066        2.4205854735        6.7547687809
 Pt         2.7901950909        4.8341763282        6.7571444454
 Pt         5.5798028464        4.8319188385        6.8675310411
 Pt         8.3761453735        4.8400683927        6.7849252492
 Pt        11.1596051827        4.8388155178        6.7550097001
 Pt        13.9543075054        4.8343243958        6.8317999037
 Pt        16.7458105924        4.8359856860        6.7822631073
 Pt         4.1892913740        7.2504684724        6.7865732461
 Pt         6.9908485553        7.2481323130        6.7623058510
 Pt         9.7659374808        7.2508765305        6.7913101101
 Pt        12.5521475595        7.2496179207        6.7716002324
 Pt        15.3491792637        7.2514943617        6.7509776260
 Pt        18.1473614998        7.2506578847        6.8754486895
 Pt         5.5849760049        9.6652384529        6.8536384215
 Pt         8.3797832228        9.6632115653        6.7820249228
 Pt        11.1573038206        9.6648712504        6.7570437848
 Pt        13.9510815873        9.6667724554        6.8350921671
 Pt        16.7446408465        9.6675968009        6.7833012991
 Pt        19.5429561834        9.6674990605        6.7541421437
 Pt         6.9808135147       12.0831395248        6.7545849568
 Pt         9.7696755386       12.0844641404        6.8394837083
 Pt        12.5574006758       12.0824663005        6.7819925971
 Pt        15.3507178922       12.0845702561        6.7542638714
 Pt        18.1469228950       12.0845137615        6.8807040024
 Pt        20.9391051182       12.0852238780        6.7867038430
  O         1.3567493753        2.4074716163        9.4741848229
  H         1.8739122041        3.2084215999        9.7629007902
  H         1.8959368417        1.6198431922        9.7585480389
  O         2.7145312654        4.8353698991        9.9100850233
  H         2.6801146773        4.8406595946        8.9086081229
  H         3.6990313279        4.8181350173       10.0439338278
  O         5.5044691491        4.8084378669        9.4752543932
  H         6.0068242550        5.6220445682        9.7457389467
  H         6.0602632423        4.0343082263        9.7676073328
  O         6.9209836202        2.4456381614        9.9096479598
  H         6.8973295277        2.4351505103        8.9078989545
  H         7.9042054587        2.4259257687       10.0567776944
  O         5.5201700233       -0.0002522235        9.4783325034
  H         6.0485193576        0.7931358833        9.7632225862
  H         6.0549485514       -0.7914723508        9.7579026500
  O         2.7455582225       -0.0019206389        9.9089548773
  H         2.6976676271       -0.0307658151        8.9089790040
  H         3.7320911855        0.0032024488       10.0307612993
  O         5.5086905392        9.6754636484        9.4803927122
  H         6.0518862062       10.4533796735        9.7747370656
  H         6.0128472809        8.8649963016        9.7529949253
  O         6.9189037918       12.1194861441        9.9056592904
  H         6.9072985025       12.0767495097        8.9038052285
  H         7.9001977839       12.1206178896       10.0634839846
  O         9.7167808866       12.0667914075        9.5607745339
  H        10.2485729862       12.8637551045        9.8282734723
  H        10.2507422032       11.2938694389        9.8514385891
  O        11.2271053947        9.4788126031        9.9114845038
  H        11.1081747164        9.5983026865        8.9144906463
  H        12.2372344381        9.5214473675        9.9716428595
  O        10.0510457386        7.2725494156        9.9243249189
  H         9.8362539323        7.2748802383        8.9133071276
  H        10.6406460073        8.1774014685       10.0367418605
  H        10.6227494241        6.3723286741       10.0394588416
  O         6.8536524624        7.2246070170        9.9220543428
  H         7.0885979785        7.2333457869        8.9442827878
  H         7.7238599817        7.2266532340       10.3689261525
  O         9.7128326447        2.3946724444        9.5592877278
  H        10.2400361220        3.1719886525        9.8481703644
  H        10.2442580355        1.5981784745        9.8339908000
  O        11.2161259352        5.0328314594        9.9155604668
  H        11.0829757384        4.9139707626        8.9228543810
  H        12.2220711490        4.9800489620        9.9710655814
  O        13.8889013296        4.8424023310        9.5629089720
  H        14.4442519566        5.6237896490        9.8270258712
  H        14.3951161966        4.0396815356        9.8563563156
  O        15.2932289275        2.3873232366        9.9055616902
  H        15.2612907501        2.4639905175        8.9063891368
  H        16.2767172469        2.3798413842       10.0430095683
  O        13.9203495942        0.0000975161        9.3969768176
  H        14.4539679191        0.7946564301        9.6810823337
  H        14.4498200769       -0.7942213566        9.6880184596
  O        11.0922305585       -0.0016532163        9.9093164067
  H        11.0520920584        0.0169131756        8.9068976487
  H        12.0741702635       -0.0031235346       10.0414808460
  O        13.8989159604        9.6525802280        9.5622890729
  H        14.4086225373       10.4592150350        9.8468881565
  H        14.4578516590        8.8695035214        9.8238497838
  O        15.2957880515       12.0605211510        9.9106435508
  H        15.2568609014       12.0385701701        8.9098289754
  H        16.2791421060       12.0582160355       10.0445442002
  O        18.1233355536       12.0591972416        9.4752923172
  H        18.6418781086       12.8580341837        9.7593143359
  H        18.6611459960       11.2706954639        9.7655981019
  O        19.5034143314        9.6722189084        9.9077273573
  H        19.4575538502        9.6682122853        8.9060948969
  H        20.4910628893        9.6790606334       10.0287083938
  O        18.1222687092        7.2816800162        9.4771663009
  H        18.6600805934        8.0685560567        9.7694899968
  H        18.6376195219        6.4816664943        9.7665688178
  O        15.3017769101        7.2807928989        9.9085437837
  H        15.2510416645        7.2631794231        8.9073258117
  H        16.2880999296        7.2863331628       10.0299749919
     217
 i =       38, E =    -17723.0230844799
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0110135060        1.6128830263        4.5292177414
 Pt         2.7844856015        1.6198952048        4.5278553488
 Pt         5.5782687466        1.5999860283        4.5263294553
 Pt         8.3830996906        1.6094682063        4.5207698422
 Pt        11.1604874593        1.6154154230        4.5219840531
 Pt        13.9552914515        1.5978940088        4.5309974776
 Pt         1.3934953371        4.0185394636        4.5298047970
 Pt         4.1972475075        4.0310564127        4.5257877044
 Pt         6.9696830871        4.0352945166        4.5276083972
 Pt         9.7638362943        4.0196784020        4.5199617256
 Pt        12.5703997370        4.0249531858        4.5199019911
 Pt        15.3519740696        4.0345349921        4.5190932039
 Pt         2.7827949886        6.4562326881        4.5280860343
 Pt         5.5766404056        6.4373399363        4.5301597216
 Pt         8.3740426069        6.4435411630        4.5078555061
 Pt        11.1667319863        6.4479529750        4.5059872325
 Pt        13.9578363436        6.4388752200        4.5181069337
 Pt        16.7640974530        6.4490160191        4.5266744201
 Pt         4.1963528097        8.8650823076        4.5240805581
 Pt         6.9710095625        8.8708667131        4.5239555640
 Pt         9.7665207533        8.8647473090        4.5070286370
 Pt        12.5701110859        8.8670419251        4.5174592877
 Pt        15.3508538540        8.8737196025        4.5203551354
 Pt        18.1433964479        8.8563655114        4.5283628726
 Pt         5.5770933209       11.2731803671        4.5258709695
 Pt         8.3800612256       11.2844365538        4.5203345116
 Pt        11.1621754847       11.2910344484        4.5209503221
 Pt        13.9569942044       11.2756119788        4.5212985720
 Pt        16.7657253306       11.2855504495        4.5280442397
 Pt        19.5366452291       11.2918813773        4.5280724178
 Pt         6.9690385873       13.7107759782        4.5302378734
 Pt         9.7654676875       13.6927981048        4.5209868032
 Pt        12.5743355170       13.7016565832        4.5241769872
 Pt        15.3508434156       13.7072061886        4.5268141952
 Pt        18.1451915798       13.6875055875        4.5293845814
 Pt        20.9506801025       13.7019763362        4.5316986612
 Pt        -0.0003523852       -0.0046442609        6.7840195658
 Pt         2.7887409440       -0.0066269822        6.7519035412
 Pt         5.5780514732       -0.0034765110        6.8643466003
 Pt         8.3723820529       -0.0019940798        6.7832200586
 Pt        11.1641014382        0.0003693011        6.7579126778
 Pt        13.9585517419       -0.0015893057        6.8878399860
 Pt         1.3940103538        2.4151261652        6.8768215783
 Pt         4.1851428463        2.4146652332        6.7839091091
 Pt         6.9781325534        2.4146577479        6.7544911784
 Pt         9.7677783757        2.4186346173        6.8385002194
 Pt        12.5576375344        2.4205532983        6.7833129428
 Pt        15.3527655053        2.4202434582        6.7549427998
 Pt         2.7897316106        4.8339081395        6.7580881900
 Pt         5.5795325037        4.8314775750        6.8674118149
 Pt         8.3760086315        4.8395457706        6.7848130748
 Pt        11.1593370272        4.8386475840        6.7560603897
 Pt        13.9539887785        4.8341928099        6.8314401119
 Pt        16.7456328602        4.8357672876        6.7827686384
 Pt         4.1891874741        7.2498317440        6.7862554102
 Pt         6.9907450908        7.2478484417        6.7626373925
 Pt         9.7658297427        7.2506736950        6.7902676602
 Pt        12.5520520948        7.2495863763        6.7715922770
 Pt        15.3490376369        7.2512103455        6.7514489040
 Pt        18.1471605842        7.2502536496        6.8741584272
 Pt         5.5845089885        9.6650151979        6.8535584872
 Pt         8.3796069851        9.6629026544        6.7813827426
 Pt        11.1571586175        9.6645072581        6.7580476729
 Pt        13.9509696367        9.6666567267        6.8353569413
 Pt        16.7443427908        9.6672328895        6.7836215166
 Pt        19.5427564951        9.6671380264        6.7549086905
 Pt         6.9805784751       12.0829558443        6.7546673357
 Pt         9.7692045313       12.0835413962        6.8392054608
 Pt        12.5568502164       12.0821268882        6.7815506186
 Pt        15.3503174281       12.0843227392        6.7545546559
 Pt        18.1466447688       12.0842584994        6.8801288861
 Pt        20.9389008946       12.0848680557        6.7871752548
  O         1.3579699557        2.4043153541        9.4737583009
  H         1.8742266576        3.2058329048        9.7619208662
  H         1.8981250939        1.6168200113        9.7576399297
  O         2.7137471178        4.8353777231        9.9099095609
  H         2.6763153573        4.8416812211        8.9087777834
  H         3.6983958511        4.8171125284       10.0406939826
  O         5.4985013235        4.8049662553        9.4743063797
  H         6.0014494359        5.6202674649        9.7418064183
  H         6.0557943094        4.0331108465        9.7661274670
  O         6.9200540470        2.4457923768        9.9090363595
  H         6.8964861667        2.4355396544        8.9074597459
  H         7.9035942863        2.4263111946       10.0558942532
  O         5.5187490688       -0.0002890054        9.4783365171
  H         6.0468662289        0.7927130099        9.7630691955
  H         6.0537922026       -0.7918889675        9.7572990337
  O         2.7448768461       -0.0024610517        9.9075286936
  H         2.6958921632       -0.0309753215        8.9075445514
  H         3.7313089471        0.0027362739       10.0277541804
  O         5.5080718736        9.6744591251        9.4796964727
  H         6.0509459743       10.4530530818        9.7753018202
  H         6.0117988074        8.8638663210        9.7494452921
  O         6.9183521678       12.1195974784        9.9039151491
  H         6.9084784285       12.0721560305        8.9018922306
  H         7.8990832149       12.1210530224       10.0627397355
  O         9.7148783309       12.0636733623        9.5611318535
  H        10.2470904933       12.8606852644        9.8279601241
  H        10.2497388804       11.2911182089        9.8511256898
  O        11.2265484796        9.4805695278        9.9114949811
  H        11.1099469008        9.6004512714        8.9147353267
  H        12.2375625708        9.5201511964        9.9729878200
  O        10.0589481904        7.2729454593        9.9225492823
  H         9.8372012233        7.2754340191        8.9136075480
  H        10.6438184247        8.1805899947       10.0350838973
  H        10.6282913431        6.3727184356       10.0380718994
  O         6.8510032467        7.2237579007        9.9201650376
  H         7.0947689985        7.2307729753        8.9457616646
  H         7.7175882861        7.2266545080       10.3774625911
  O         9.7121802986        2.3960273999        9.5594771291
  H        10.2395662582        3.1717796131        9.8471592131
  H        10.2442218159        1.5982820900        9.8341964989
  O        11.2224116281        5.0312685600        9.9161368162
  H        11.0869075119        4.9138609914        8.9246956023
  H        12.2293777469        4.9802765843        9.9708260179
  O        13.8905721740        4.8427356625        9.5612423307
  H        14.4444060138        5.6238152633        9.8273832231
  H        14.3954774244        4.0398020528        9.8567838492
  O        15.2933797938        2.3868974581        9.9032475427
  H        15.2625895651        2.4673411200        8.9038609271
  H        16.2766759789        2.3768571538       10.0405051770
  O        13.9219733653        0.0003812089        9.3960120493
  H        14.4574895127        0.7945913421        9.6756554310
  H        14.4535022379       -0.7939726767        9.6832846396
  O        11.0919687675       -0.0016847099        9.9086147083
  H        11.0489507233        0.0149650925        8.9062326618
  H        12.0736008285       -0.0022848276       10.0382669833
  O        13.8984206473        9.6526734594        9.5625796414
  H        14.4102957534       10.4578801669        9.8466833774
  H        14.4569523999        8.8690529656        9.8235525768
  O        15.2963178476       12.0602678602        9.9100325860
  H        15.2564379284       12.0388443891        8.9090047131
  H        16.2793884387       12.0570702473       10.0424056419
  O        18.1230281946       12.0582569902        9.4750979716
  H        18.6432982899       12.8571199361        9.7590475186
  H        18.6609532998       11.2699391176        9.7637291411
  O        19.5032594042        9.6722116160        9.9071607016
  H        19.4568141302        9.6676599648        8.9056820296
  H        20.4912066612        9.6786236352       10.0269426021
  O        18.1226135815        7.2832039320        9.4772987520
  H        18.6609546493        8.0701341405        9.7683530069
  H        18.6392354022        6.4835908577        9.7665736224
  O        15.3024229178        7.2810622847        9.9079287828
  H        15.2505138090        7.2635533314        8.9063411849
  H        16.2882444702        7.2878639546       10.0274584772
     217
 i =       39, E =    -17723.0231383265
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0109736989        1.6126867724        4.5295959531
 Pt         2.7844956392        1.6198331841        4.5280366545
 Pt         5.5781145496        1.5998178181        4.5262749674
 Pt         8.3830007586        1.6095709969        4.5210788331
 Pt        11.1602412012        1.6153044835        4.5223438700
 Pt        13.9550177548        1.5974427930        4.5310518190
 Pt         1.3933935776        4.0185123941        4.5302385787
 Pt         4.1968638779        4.0309193558        4.5262793825
 Pt         6.9694531662        4.0354391836        4.5280678833
 Pt         9.7637923330        4.0194301806        4.5203205523
 Pt        12.5704768079        4.0249350382        4.5203159954
 Pt        15.3519980951        4.0341665743        4.5194289554
 Pt         2.7825163595        6.4561212822        4.5282084392
 Pt         5.5766254979        6.4366336767        4.5305411289
 Pt         8.3740376784        6.4433406700        4.5080535423
 Pt        11.1669204092        6.4477177386        4.5065549235
 Pt        13.9578041875        6.4385548005        4.5182222546
 Pt        16.7640383771        6.4490000510        4.5268414942
 Pt         4.1961095958        8.8648935547        4.5243812251
 Pt         6.9707974304        8.8708657985        4.5239420160
 Pt         9.7664819820        8.8645167304        4.5072741745
 Pt        12.5703987422        8.8668170477        4.5178099914
 Pt        15.3507307613        8.8735546040        4.5209920583
 Pt        18.1433770940        8.8563245030        4.5283086514
 Pt         5.5769397419       11.2730625415        4.5261415368
 Pt         8.3800674975       11.2843808933        4.5204361774
 Pt        11.1616327123       11.2910498668        4.5210979399
 Pt        13.9568525328       11.2752272469        4.5215864737
 Pt        16.7655411121       11.2853699234        4.5285121504
 Pt        19.5365962247       11.2916789230        4.5285500452
 Pt         6.9685983992       13.7108915630        4.5302296526
 Pt         9.7654522233       13.6926858631        4.5214011455
 Pt        12.5741719073       13.7014768710        4.5240455547
 Pt        15.3508009886       13.7069546490        4.5265331555
 Pt        18.1449533952       13.6875355739        4.5298249759
 Pt        20.9504333045       13.7016591864        4.5316450451
 Pt        -0.0010205717       -0.0050230295        6.7845014914
 Pt         2.7886292786       -0.0069836638        6.7518825036
 Pt         5.5775918154       -0.0038500045        6.8628696577
 Pt         8.3720943718       -0.0023715612        6.7835660179
 Pt        11.1636655764        0.0000428282        6.7586108330
 Pt        13.9578844769       -0.0018941086        6.8869373391
 Pt         1.3937069014        2.4144784282        6.8767869135
 Pt         4.1847162759        2.4140667453        6.7842935647
 Pt         6.9777531194        2.4144171597        6.7548301772
 Pt         9.7673752076        2.4181252126        6.8386753877
 Pt        12.5574419831        2.4202666170        6.7832241753
 Pt        15.3524385235        2.4198109806        6.7548113671
 Pt         2.7892311191        4.8336431150        6.7588376841
 Pt         5.5792902218        4.8309214172        6.8671363986
 Pt         8.3756832190        4.8388633226        6.7847182114
 Pt        11.1591221298        4.8384857060        6.7571784261
 Pt        13.9537122078        4.8340054788        6.8309390833
 Pt        16.7454722113        4.8355045462        6.7835468823
 Pt         4.1889840110        7.2491613205        6.7860542374
 Pt         6.9905362463        7.2473866446        6.7631094936
 Pt         9.7655608299        7.2504059647        6.7892682716
 Pt        12.5519213189        7.2494382622        6.7716531203
 Pt        15.3489790732        7.2508817057        6.7519191027
 Pt        18.1467904313        7.2498715986        6.8728191673
 Pt         5.5840860470        9.6647707279        6.8534722749
 Pt         8.3794325932        9.6627364911        6.7808094053
 Pt        11.1569383586        9.6641021207        6.7591845291
 Pt        13.9508392072        9.6664565118        6.8355572697
 Pt        16.7440275351        9.6669322721        6.7841789704
 Pt        19.5426139374        9.6668485837        6.7554996801
 Pt         6.9804074843       12.0828262098        6.7544703630
 Pt         9.7686275037       12.0825443777        6.8387450990
 Pt        12.5564046918       12.0818503715        6.7813472954
 Pt        15.3499733993       12.0839172788        6.7547919131
 Pt        18.1462423330       12.0839992544        6.8792810291
 Pt        20.9385361559       12.0844595091        6.7877442004
  O         1.3597669107        2.4004147666        9.4730122377
  H         1.8747483252        3.2028879866        9.7609852891
  H         1.9007226587        1.6135907041        9.7566336813
  O         2.7127045414        4.8354094972        9.9094776177
  H         2.6722309336        4.8427552223        8.9085197953
  H         3.6980445411        4.8159835407       10.0371780405
  O         5.4919897064        4.8027631860        9.4734110040
  H         5.9948907579        5.6173255976        9.7373360170
  H         6.0513783308        4.0310865782        9.7647818121
  O         6.9195683454        2.4456354491        9.9083722678
  H         6.8956660266        2.4359292914        8.9065722170
  H         7.9027332198        2.4267802471       10.0549767961
  O         5.5174759460       -0.0009325359        9.4780101665
  H         6.0453724437        0.7925188667        9.7630122264
  H         6.0524962609       -0.7920100436        9.7567057773
  O         2.7441944344       -0.0030194969        9.9059679389
  H         2.6937375853       -0.0313656290        8.9058395046
  H         3.7309626577        0.0022707480       10.0249188868
  O         5.5079236257        9.6745406265        9.4785784634
  H         6.0498290550       10.4524340760        9.7758763387
  H         6.0110792241        8.8620768559        9.7459049050
  O         6.9177496229       12.1192990386        9.9018208320
  H         6.9098127543       12.0670728025        8.8999151817
  H         7.8983954576       12.1214385004       10.0620616936
  O         9.7139544997       12.0611513573        9.5609648768
  H        10.2455673833       12.8578912784        9.8276191966
  H        10.2481340259       11.2879215421        9.8509678876
  O        11.2271451245        9.4830102249        9.9119856413
  H        11.1116013548        9.6023882886        8.9144721411
  H        12.2378081620        9.5191903161        9.9745490490
  O        10.0679247653        7.2732867621        9.9214796469
  H         9.8385497111        7.2753242639        8.9146518635
  H        10.6474270448        8.1832226344       10.0332475386
  H        10.6350871976        6.3732914689       10.0363839127
  O         6.8490574469        7.2232340744        9.9196984816
  H         7.1015483281        7.2279804246        8.9471796996
  H         7.7099998516        7.2265049382       10.3858238836
  O         9.7118527225        2.3952547813        9.5589777680
  H        10.2399122407        3.1728291807        9.8466396459
  H        10.2436389649        1.5991564140        9.8341714925
  O        11.2304441752        5.0293102226        9.9172363937
  H        11.0916584198        4.9137144661        8.9257687994
  H        12.2375139034        4.9805364571        9.9702209779
  O        13.8919900717        4.8428364055        9.5600861328
  H        14.4450446358        5.6243877173        9.8277651168
  H        14.3957765638        4.0398915450        9.8570688239
  O        15.2938187080        2.3869226073        9.9005789603
  H        15.2638185307        2.4710294998        8.9013418141
  H        16.2771464350        2.3735620960       10.0382666105
  O        13.9240193581        0.0002815675        9.3948790678
  H        14.4614665246        0.7949887323        9.6711296892
  H        14.4574423343       -0.7938874362        9.6792705953
  O        11.0914540517       -0.0017057373        9.9077796376
  H        11.0457400242        0.0128441995        8.9054850364
  H        12.0738785900       -0.0013936948       10.0349451378
  O        13.8977121691        9.6524191122        9.5627420338
  H        14.4119252674       10.4565098421        9.8463951686
  H        14.4561135697        8.8687826696        9.8230894998
  O        15.2965433040       12.0600380770        9.9090376133
  H        15.2558228304       12.0391569105        8.9080937063
  H        16.2802731108       12.0560056257       10.0405262854
  O        18.1230201990       12.0584346510        9.4745061055
  H        18.6445009464       12.8560945052        9.7588178126
  H        18.6604917688       11.2694436801        9.7616916733
  O        19.5031580023        9.6722212614        9.9063204003
  H        19.4561695421        9.6671008355        8.9046506431
  H        20.4911745940        9.6781545155       10.0251859649
  O        18.1231985197        7.2841958465        9.4769709696
  H        18.6614448219        8.0713724456        9.7669356935
  H        18.6408625084        6.4853936492        9.7666944585
  O        15.3024482956        7.2813003079        9.9068816579
  H        15.2497186873        7.2639594504        8.9054964587
  H        16.2891103792        7.2894771002       10.0253479586
     217
 i =       40, E =    -17723.0231928284
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0110045708        1.6124575936        4.5297631949
 Pt         2.7844332076        1.6197862957        4.5281417543
 Pt         5.5778890346        1.5996305970        4.5263770608
 Pt         8.3831171863        1.6097027399        4.5210905790
 Pt        11.1603385585        1.6154601223        4.5225753698
 Pt        13.9545443668        1.5971374850        4.5312107502
 Pt         1.3932272211        4.0184372097        4.5303427818
 Pt         4.1968931445        4.0308299666        4.5264118915
 Pt         6.9693317850        4.0357024239        4.5283064609
 Pt         9.7637754587        4.0193043798        4.5205517509
 Pt        12.5706849111        4.0249687437        4.5205622037
 Pt        15.3519932993        4.0341898985        4.5195493453
 Pt         2.7824859307        6.4562271422        4.5284176165
 Pt         5.5766551526        6.4362690750        4.5309574484
 Pt         8.3740874178        6.4432933078        4.5083411371
 Pt        11.1668271319        6.4476897003        4.5071018215
 Pt        13.9577896783        6.4384385099        4.5182573724
 Pt        16.7641898028        6.4489674139        4.5271418270
 Pt         4.1961686189        8.8644807686        4.5244630856
 Pt         6.9707303458        8.8708753770        4.5240103155
 Pt         9.7665258788        8.8642932730        4.5077391657
 Pt        12.5706173533        8.8667122388        4.5180883983
 Pt        15.3506387115        8.8735929287        4.5214766761
 Pt        18.1431348913        8.8560445570        4.5283514331
 Pt         5.5767413591       11.2729319303        4.5262076672
 Pt         8.3802198978       11.2841890804        4.5203550075
 Pt        11.1615250809       11.2911928642        4.5213780580
 Pt        13.9565913479       11.2750928704        4.5217605053
 Pt        16.7654872649       11.2851272896        4.5288713783
 Pt        19.5364978545       11.2916206372        4.5286289975
 Pt         6.9682550357       13.7111315915        4.5303200170
 Pt         9.7652015576       13.6924905407        4.5215314284
 Pt        12.5742196997       13.7012239818        4.5242510000
 Pt        15.3506832051       13.7070912995        4.5265793271
 Pt        18.1446323964       13.6875386346        4.5300041332
 Pt        20.9505368470       13.7015405940        4.5319234558
 Pt        -0.0014180629       -0.0051456200        6.7847765927
 Pt         2.7885132977       -0.0070336259        6.7516478986
 Pt         5.5775359240       -0.0041137271        6.8625602962
 Pt         8.3721159158       -0.0023776312        6.7841069762
 Pt        11.1633080346       -0.0001613961        6.7584974417
 Pt        13.9578219012       -0.0021304497        6.8870520706
 Pt         1.3934336176        2.4141064882        6.8767792649
 Pt         4.1844917475        2.4138111677        6.7845201988
 Pt         6.9777602686        2.4143140105        6.7544387065
 Pt         9.7672561381        2.4181426996        6.8389188351
 Pt        12.5573861616        2.4200961968        6.7836364402
 Pt        15.3521109262        2.4195609885        6.7541602118
 Pt         2.7890606558        4.8335300351        6.7585075557
 Pt         5.5791558435        4.8305256782        6.8668044197
 Pt         8.3753055106        4.8384394146        6.7849006086
 Pt        11.1591179975        4.8383830647        6.7575124410
 Pt        13.9537730776        4.8338367358        6.8306762592
 Pt        16.7454336728        4.8352974062        6.7842222838
 Pt         4.1887309965        7.2489886383        6.7863498563
 Pt         6.9902857157        7.2469894455        6.7635361834
 Pt         9.7651057805        7.2501627515        6.7894539550
 Pt        12.5518680147        7.2491738183        6.7719242521
 Pt        15.3490702904        7.2506824758        6.7519928686
 Pt        18.1463861006        7.2498775093        6.8726519733
 Pt         5.5841366369        9.6646449977        6.8535219846
 Pt         8.3793045563        9.6628805957        6.7809620870
 Pt        11.1568111900        9.6639354507        6.7595645688
 Pt        13.9506910830        9.6661992961        6.8356191517
 Pt        16.7439833936        9.6669580124        6.7847987567
 Pt        19.5426296129        9.6668704183        6.7551835777
 Pt         6.9804316344       12.0828876613        6.7538423695
 Pt         9.7683881987       12.0822988655        6.8384452583
 Pt        12.5565086709       12.0818556024        6.7818686448
 Pt        15.3499805106       12.0835793428        6.7546901730
 Pt        18.1459017111       12.0839306957        6.8787451899
 Pt        20.9381509856       12.0843118193        6.7880388485
  O         1.3614507434        2.3985254819        9.4722445072
  H         1.8752772947        3.2012647582        9.7607694582
  H         1.9025759013        1.6119250780        9.7562977962
  O         2.7122932628        4.8353937928        9.9089284776
  H         2.6707078776        4.8430868985        8.9075902981
  H         3.6981589738        4.8155219758       10.0356281567
  O         5.4897139164        4.8023278282        9.4732036996
  H         5.9919611998        5.6161494021        9.7359001775
  H         6.0495053230        4.0300634696        9.7643091201
  O         6.9194966793        2.4452035757        9.9077714534
  H         6.8956648810        2.4359638792        8.9056445349
  H         7.9026854692        2.4269971172       10.0547319148
  O         5.5175561006       -0.0009986484        9.4774337805
  H         6.0450701383        0.7924128883        9.7629483791
  H         6.0523599661       -0.7920561988        9.7567966676
  O         2.7443351415       -0.0030998312        9.9054318566
  H         2.6926044609       -0.0319054776        8.9050792282
  H         3.7314297366        0.0021195327       10.0244324514
  O         5.5085493896        9.6745739458        9.4777625821
  H         6.0499830746       10.4524730980        9.7763563785
  H         6.0111089813        8.8614778311        9.7448141265
  O         6.9181108584       12.1185294676        9.9008484716
  H         6.9104804696       12.0648609264        8.8992553071
  H         7.8987321347       12.1213869936       10.0618950147
  O         9.7153114804       12.0613340560        9.5597192537
  H        10.2458003008       12.8582489052        9.8277261182
  H        10.2464184077       11.2867880067        9.8512238230
  O        11.2288689808        9.4845678885        9.9124186290
  H        11.1120370937        9.6023557958        8.9139681091
  H        12.2383185178        9.5200510146        9.9752506076
  O        10.0715804928        7.2735376996        9.9224480686
  H         9.8398811114        7.2738278468        8.9166343865
  H        10.6499170953        8.1829766272       10.0326959712
  H        10.6400380294        6.3735033283       10.0356801805
  O         6.8482567101        7.2238704545        9.9201141925
  H         7.1040482128        7.2268592340        8.9484911893
  H         7.7077991141        7.2261509411       10.3886315199
  O         9.7130295860        2.3954764272        9.5579467515
  H        10.2400268230        3.1729958754        9.8465459330
  H        10.2436108850        1.5991907630        9.8342282214
  O        11.2338691695        5.0288134298        9.9176192978
  H        11.0950387277        4.9135562809        8.9250932891
  H        12.2418266510        4.9804304589        9.9691212297
  O        13.8920577253        4.8431822731        9.5612485092
  H        14.4460192675        5.6251608929        9.8277228508
  H        14.3959128430        4.0397324305        9.8569111400
  O        15.2947342190        2.3876293198        9.8994878396
  H        15.2641134497        2.4726048702        8.9007058737
  H        16.2780395235        2.3721988212       10.0381463691
  O        13.9254804571        0.0002417721        9.3942973125
  H        14.4629128078        0.7954993181        9.6720165366
  H        14.4589111946       -0.7943582090        9.6800720197
  O        11.0920119789       -0.0017982764        9.9075974034
  H        11.0449340118        0.0120244779        8.9051569028
  H        12.0748211491       -0.0011031825       10.0337711087
  O        13.8973386745        9.6520065150        9.5625388549
  H        14.4119091526       10.4560778597        9.8459874190
  H        14.4561634348        8.8687434417        9.8226300168
  O        15.2968318475       12.0599817451        9.9085760753
  H        15.2553789096       12.0393194275        8.9075658286
  H        16.2808777523       12.0560278903       10.0403911780
  O        18.1232504059       12.0596890396        9.4736335433
  H        18.6447344567       12.8564874192        9.7590740301
  H        18.6596359938       11.2701685559        9.7607311975
  O        19.5029694212        9.6722410204        9.9053308921
  H        19.4563406662        9.6669850360        8.9032772864
  H        20.4909303265        9.6780201917       10.0248015232
  O        18.1234839960        7.2832468268        9.4761241173
  H        18.6607432249        8.0710183021        9.7659672414
  H        18.6413080641        6.4852098211        9.7669724007
  O        15.3024359757        7.2812801282        9.9065361964
  H        15.2490398611        7.2641246480        8.9052331748
  H        16.2895711416        7.2899306829       10.0255050141
     217
 i =       41, E =    -17723.0232554074
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0110858123        1.6119823936        4.5298079955
 Pt         2.7842004192        1.6196384334        4.5281926343
 Pt         5.5774230196        1.5993715929        4.5265591426
 Pt         8.3834003642        1.6098918113        4.5209196531
 Pt        11.1606431145        1.6158455148        4.5228962136
 Pt        13.9534785151        1.5967978477        4.5314127114
 Pt         1.3928084377        4.0181936257        4.5303409198
 Pt         4.1970644367        4.0305516190        4.5262662671
 Pt         6.9691903166        4.0360257655        4.5284025699
 Pt         9.7638202062        4.0192349954        4.5209050113
 Pt        12.5709924285        4.0249598164        4.5208509820
 Pt        15.3520302986        4.0344606087        4.5195206179
 Pt         2.7826403391        6.4563904306        4.5287132594
 Pt         5.5766672856        6.4359856091        4.5316182971
 Pt         8.3741202164        6.4432697225        4.5088888363
 Pt        11.1664832382        6.4476666856        4.5079330147
 Pt        13.9578465362        6.4384245776        4.5182571542
 Pt        16.7644407477        6.4487450816        4.5276917180
 Pt         4.1964984901        8.8635042374        4.5244311891
 Pt         6.9706773913        8.8706646926        4.5242568283
 Pt         9.7667514806        8.8638923177        4.5086035893
 Pt        12.5707414650        8.8665835501        4.5185663614
 Pt        15.3505080986        8.8737204684        4.5221588071
 Pt        18.1424835713        8.8554674610        4.5285070042
 Pt         5.5762509875       11.2726010099        4.5261326459
 Pt         8.3804028410       11.2837213968        4.5199075181
 Pt        11.1617102499       11.2912605135        4.5219796344
 Pt        13.9559906246       11.2749870515        4.5219590188
 Pt        16.7654217504       11.2845655685        4.5292628291
 Pt        19.5362449323       11.2915456833        4.5283597558
 Pt         6.9677801610       13.7115031831        4.5304009684
 Pt         9.7644602628       13.6921242024        4.5215058931
 Pt        12.5743557872       13.7005806984        4.5246729977
 Pt        15.3504644851       13.7074797754        4.5268957560
 Pt        18.1439920715       13.6875305538        4.5299797500
 Pt        20.9507022096       13.7013727175        4.5326810200
 Pt        -0.0020138064       -0.0053839912        6.7851174856
 Pt         2.7881114190       -0.0071512809        6.7510446550
 Pt         5.5776706286       -0.0046313725        6.8627079738
 Pt         8.3721343954       -0.0021971594        6.7852099045
 Pt        11.1626296947       -0.0005433051        6.7577456775
 Pt        13.9579318942       -0.0026984820        6.8882164024
 Pt         1.3928576948        2.4134141272        6.8770200779
 Pt         4.1841181960        2.4134546239        6.7848219822
 Pt         6.9778793039        2.4139775491        6.7532789777
 Pt         9.7672028158        2.4184373447        6.8396396456
 Pt        12.5572169510        2.4197841439        6.7848494330
 Pt        15.3514322613        2.4191288980        6.7525185837
 Pt         2.7888365403        4.8332470818        6.7572051373
 Pt         5.5786540963        4.8296830701        6.8661216228
 Pt         8.3745678998        4.8377682150        6.7856435325
 Pt        11.1591211975        4.8380809727        6.7577097108
 Pt        13.9540709347        4.8334393815        6.8303789908
 Pt        16.7453287924        4.8347863939        6.7854369775
 Pt         4.1881538749        7.2488982950        6.7873219082
 Pt         6.9897483935        7.2462201272        6.7643088673
 Pt         9.7639914908        7.2495539735        6.7907481679
 Pt        12.5518116757        7.2485275316        6.7727361969
 Pt        15.3491987192        7.2502548367        6.7519573445
 Pt        18.1455678616        7.2500645028        6.8732498660
 Pt         5.5844782186        9.6643698941        6.8538008016
 Pt         8.3789295136        9.6631147319        6.7817936212
 Pt        11.1566296515        9.6636472691        6.7597780155
 Pt        13.9502721238        9.6655619370        6.8359157103
 Pt        16.7440442676        9.6670905322        6.7860699716
 Pt        19.5426309179        9.6669439995        6.7539285355
 Pt         6.9804388946       12.0830011689        6.7522958004
 Pt         9.7681920460       12.0822996751        6.8381397845
 Pt        12.5569274360       12.0818708033        6.7833775339
 Pt        15.3500799405       12.0829748598        6.7542682645
 Pt        18.1452027069       12.0838520689        6.8781081591
 Pt        20.9373512202       12.0841488815        6.7884332002
  O         1.3652541197        2.3943976606        9.4706793220
  H         1.8769457618        3.1985449852        9.7607173857
  H         1.9066701786        1.6087148729        9.7558174746
  O         2.7122549762        4.8352573944        9.9071254730
  H         2.6682926265        4.8434367002        8.9059608758
  H         3.6980415832        4.8147710760       10.0327874098
  O         5.4861847740        4.8004128979        9.4727885614
  H         5.9879046299        5.6160069824        9.7348332167
  H         6.0459823436        4.0286752452        9.7635521314
  O         6.9199780956        2.4444442329        9.9063022530
  H         6.8961120221        2.4357837647        8.9039128711
  H         7.9025519445        2.4274076552       10.0543712356
  O         5.5182767554       -0.0017490437        9.4764085811
  H         6.0453067748        0.7926714995        9.7628734094
  H         6.0524028950       -0.7917736879        9.7571890685
  O         2.7453562170       -0.0029607423        9.9047212243
  H         2.6907272371       -0.0333507601        8.9043171042
  H         3.7324070259        0.0018712701       10.0240389852
  O         5.5099184136        9.6753240564        9.4768296928
  H         6.0507972451       10.4521134367        9.7771872657
  H         6.0117992863        8.8606956179        9.7435618307
  O         6.9193790856       12.1168846709        9.9000265785
  H         6.9116997336       12.0611526940        8.8978813255
  H         7.9000679483       12.1209985916       10.0616224837
  O         9.7179156220       12.0634442262        9.5563756780
  H        10.2477608373       12.8603276694        9.8283223781
  H        10.2431425169       11.2851661634        9.8522266304
  O        11.2309439112        9.4868811410        9.9119384804
  H        11.1131010549        9.6015127911        8.9139188550
  H        12.2416559066        9.5235172867        9.9762908004
  O        10.0775931383        7.2732288166        9.9256299118
  H         9.8432924156        7.2700029237        8.9213674059
  H        10.6562521276        8.1818257557       10.0322474563
  H        10.6513034887        6.3735014598       10.0349407065
  O         6.8476410589        7.2254397848        9.9213529387
  H         7.1078336798        7.2250681330        8.9515144233
  H         7.7053128390        7.2252023411       10.3928482246
  O         9.7147551364        2.3938434092        9.5553154117
  H        10.2416956178        3.1747528069        9.8471683416
  H        10.2437354696        1.5994311009        9.8341385776
  O        11.2399476903        5.0296000746        9.9162652717
  H        11.1026782948        4.9130792231        8.9241941139
  H        12.2486349837        4.9798057103        9.9662558196
  O        13.8921646844        4.8445295725        9.5649981442
  H        14.4482111029        5.6263328599        9.8272898276
  H        14.3962492177        4.0395676328        9.8564372758
  O        15.2968119464        2.3890629873        9.8989023707
  H        15.2646084437        2.4752676492        8.8995345502
  H        16.2801183657        2.3701203672       10.0385282608
  O        13.9290197710        0.0000981511        9.3938706944
  H        14.4643611293        0.7960719266        9.6761352689
  H        14.4603800915       -0.7949736281        9.6836369128
  O        11.0936451046       -0.0019683461        9.9072561946
  H        11.0442767417        0.0108146839        8.9050125367
  H        12.0773278908       -0.0007124855       10.0320061494
  O        13.8971554123        9.6512263734        9.5619189624
  H        14.4108031941       10.4557105926        9.8448565006
  H        14.4567495732        8.8682333203        9.8215967594
  O        15.2975822758       12.0599416516        9.9079937762
  H        15.2546038372       12.0396208263        8.9068598625
  H        16.2816501831       12.0567184093       10.0406115676
  O        18.1231827206       12.0620025182        9.4717352986
  H        18.6451984988       12.8587525987        9.7600835154
  H        18.6577042759       11.2721639359        9.7591058520
  O        19.5025432625        9.6722397030        9.9026659140
  H        19.4571643156        9.6669750195        8.9005073175
  H        20.4902032001        9.6778784734       10.0245274199
  O        18.1234516987        7.2812263268        9.4743078087
  H        18.6585141780        8.0694340826        9.7638882093
  H        18.6420670509        6.4830798373        9.7678130071
  O        15.3029004287        7.2810642859        9.9064698529
  H        15.2477229188        7.2643986259        8.9049614615
  H        16.2896826662        7.2902672333       10.0266322327
     217
 i =       42, E =    -17723.0232993579
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0110478471        1.6118784499        4.5295639560
 Pt         2.7840519447        1.6194992886        4.5280542382
 Pt         5.5773059692        1.5993972600        4.5265155889
 Pt         8.3834815875        1.6098420388        4.5207897437
 Pt        11.1606853315        1.6159294693        4.5228850688
 Pt        13.9531780512        1.5969515105        4.5313199503
 Pt         1.3926369305        4.0180363052        4.5302399376
 Pt         4.1970592727        4.0303503040        4.5258661001
 Pt         6.9692602039        4.0358562936        4.5280701197
 Pt         9.7638786850        4.0193749461        4.5209414259
 Pt        12.5708917252        4.0248850489        4.5207784302
 Pt        15.3520969649        4.0346180023        4.5192778294
 Pt         2.7827908135        6.4563037896        4.5286356840
 Pt         5.5766145687        6.4362601360        4.5315904513
 Pt         8.3740263946        6.4432810748        4.5090076577
 Pt        11.1663310571        6.4476366486        4.5079083168
 Pt        13.9579045173        6.4386073292        4.5182170371
 Pt        16.7643959004        6.4485280471        4.5277479771
 Pt         4.1966865748        8.8631989710        4.5243097772
 Pt         6.9707504966        8.8703559438        4.5244477365
 Pt         9.7668848159        8.8638173590        4.5087113408
 Pt        12.5704650747        8.8665510018        4.5186352551
 Pt        15.3504941425        8.8737275422        4.5220890421
 Pt        18.1422354594        8.8553582672        4.5285959049
 Pt         5.5760375486       11.2724163664        4.5259627846
 Pt         8.3802879395       11.2835088517        4.5195975957
 Pt        11.1620134770       11.2910041338        4.5221417655
 Pt        13.9558395554       11.2750379306        4.5219238644
 Pt        16.7653640211       11.2843820941        4.5290217731
 Pt        19.5361358235       11.2914997368        4.5279555766
 Pt         6.9678020922       13.7114348681        4.5302571039
 Pt         9.7641527769       13.6920555108        4.5212802514
 Pt        12.5743369258       13.7003165789        4.5247030637
 Pt        15.3504684988       13.7075463099        4.5271076138
 Pt        18.1438595503       13.6875308425        4.5296494333
 Pt        20.9505769037       13.7013417372        4.5329514967
 Pt        -0.0020496222       -0.0055295450        6.7850381832
 Pt         2.7878548231       -0.0073229703        6.7508192401
 Pt         5.5778157741       -0.0047994603        6.8632301306
 Pt         8.3720127725       -0.0020644305        6.7854164922
 Pt        11.1624611376       -0.0006326090        6.7572962686
 Pt        13.9579997339       -0.0029748677        6.8891755295
 Pt         1.3926799480        2.4131792346        6.8773429082
 Pt         4.1840163206        2.4133657029        6.7847509256
 Pt         6.9778824830        2.4137058000        6.7528123942
 Pt         9.7673005454        2.4185881523        6.8400704959
 Pt        12.5570669032        2.4196836952        6.7854348509
 Pt        15.3512273167        2.4189924225        6.7520339471
 Pt         2.7887455012        4.8330486126        6.7565244133
 Pt         5.5781979879        4.8293412031        6.8659176278
 Pt         8.3744074261        4.8377035801        6.7861729332
 Pt        11.1590739098        4.8378741341        6.7574155077
 Pt        13.9541947799        4.8332613610        6.8304177466
 Pt        16.7452336248        4.8345157525        6.7856254952
 Pt         4.1879395790        7.2489601551        6.7878284371
 Pt         6.9895594461        7.2460124059        6.7644825259
 Pt         9.7635672608        7.2492420299        6.7917812723
 Pt        12.5517918684        7.2482384396        6.7731708934
 Pt        15.3490962148        7.2500632133        6.7519506718
 Pt        18.1453651276        7.2501273761        6.8740754683
 Pt         5.5846396088        9.6642396621        6.8540223363
 Pt         8.3787120010        9.6629818839        6.7823239787
 Pt        11.1566038783        9.6635104561        6.7594100381
 Pt        13.9500485842        9.6652740124        6.8361836122
 Pt        16.7440841141        9.6670789337        6.7864158194
 Pt        19.5425687369        9.6668813275        6.7531652945
 Pt         6.9803219986       12.0829398114        6.7517950642
 Pt         9.7683551795       12.0825650623        6.8383701952
 Pt        12.5570708447       12.0817609758        6.7840473946
 Pt        15.3500589909       12.0828618621        6.7540675709
 Pt        18.1449750831       12.0838489683        6.8783152602
 Pt        20.9371311839       12.0841365114        6.7883890739
  O         1.3670178057        2.3933249370        9.4705121078
  H         1.8777748730        3.1971337965        9.7605956108
  H         1.9089001853        1.6070063025        9.7557503288
  O         2.7118910539        4.8351779870        9.9065283754
  H         2.6674915009        4.8434049633        8.9053602102
  H         3.6982279307        4.8144882388       10.0315378673
  O         5.4857186407        4.8014141447        9.4728598456
  H         5.9861978512        5.6156294141        9.7348834100
  H         6.0450166691        4.0277782728        9.7635937880
  O         6.9199358074        2.4444230275        9.9057097460
  H         6.8965858613        2.4355707775        8.9034226904
  H         7.9027471976        2.4275001356       10.0541815255
  O         5.5186312238       -0.0010808896        9.4764849270
  H         6.0454630729        0.7924550817        9.7625901130
  H         6.0529416353       -0.7920669896        9.7575612754
  O         2.7455881583       -0.0028367107        9.9048021915
  H         2.6904409251       -0.0341598820        8.9045426678
  H         3.7329300183        0.0017401871       10.0236872179
  O         5.5099309786        9.6748458007        9.4771880564
  H         6.0517137079       10.4520041358        9.7775763377
  H         6.0121353176        8.8611690008        9.7432332260
  O         6.9199633703       12.1165092478        9.8997494098
  H         6.9122017353       12.0599743757        8.8979130813
  H         7.9008760934       12.1207381204       10.0613659670
  O         9.7187728441       12.0643093160        9.5560385854
  H        10.2491810182       12.8608464183        9.8285740910
  H        10.2416170342       11.2860021768        9.8524400240
  O        11.2326140271        9.4868225630        9.9122524742
  H        11.1139253736        9.6011833530        8.9137392072
  H        12.2427629889        9.5259160928        9.9760942583
  O        10.0802228266        7.2720971194        9.9272236960
  H         9.8451311527        7.2684218170        8.9233057233
  H        10.6597693325        8.1817431078       10.0323981860
  H        10.6565276021        6.3732314243       10.0351505813
  O         6.8480444926        7.2255305937        9.9223274662
  H         7.1091122036        7.2245081240        8.9523616836
  H         7.7049367211        7.2247026825       10.3944624457
  O         9.7158978478        2.3963950993        9.5555600223
  H        10.2412601631        3.1732607787        9.8466035969
  H        10.2446567903        1.5986189145        9.8342357991
  O        11.2417580657        5.0310618784        9.9156989284
  H        11.1061256315        4.9126752812        8.9233768382
  H        12.2505918820        4.9793093756        9.9649781551
  O        13.8922475794        4.8447671673        9.5664747350
  H        14.4495004594        5.6267248283        9.8272415906
  H        14.3965388427        4.0399381760        9.8563653235
  O        15.2972935401        2.3892823452        9.8989051280
  H        15.2651270109        2.4760581042        8.8998217022
  H        16.2809015149        2.3696073715       10.0385518585
  O        13.9301019847        0.0001772540        9.3943914788
  H        14.4642353370        0.7958492449        9.6782841559
  H        14.4603278580       -0.7949521339        9.6854484483
  O        11.0946986875       -0.0021049236        9.9073975366
  H        11.0444307356        0.0105371165        8.9051142132
  H        12.0781750992       -0.0006587688       10.0312957998
  O        13.8972845624        9.6505932483        9.5616562136
  H        14.4101020109       10.4561620430        9.8443338373
  H        14.4571130508        8.8677105800        9.8211569218
  O        15.2974812242       12.0599456485        9.9080227638
  H        15.2545723768       12.0397553582        8.9070264475
  H        16.2817408318       12.0572890519       10.0405714228
  O        18.1231258057       12.0638740811        9.4716336164
  H        18.6448246147       12.8594073260        9.7602769830
  H        18.6572584253       11.2725841570        9.7586651939
  O        19.5024549052        9.6722112498        9.9016689135
  H        19.4577524715        9.6670827480        8.8993975024
  H        20.4896851204        9.6778853537       10.0244581820
  O        18.1232299998        7.2791235696        9.4742216811
  H        18.6577671658        8.0691213668        9.7631331573
  H        18.6417407737        6.4823384403        9.7678240267
  O        15.3024324873        7.2809947621        9.9065589818
  H        15.2475341320        7.2644928911        8.9053151429
  H        16.2897399781        7.2900952757       10.0271122654
     217
 i =       43, E =    -17723.0233239111
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0109877282        1.6119818202        4.5293092092
 Pt         2.7840037857        1.6194345846        4.5279134795
 Pt         5.5773731515        1.5994846971        4.5264434297
 Pt         8.3835010808        1.6097329045        4.5206885046
 Pt        11.1606693154        1.6159138030        4.5227215441
 Pt        13.9533193645        1.5972269415        4.5312179469
 Pt         1.3926500008        4.0179817538        4.5300787904
 Pt         4.1970961785        4.0303179248        4.5255043323
 Pt         6.9694023216        4.0356377096        4.5277331852
 Pt         9.7638831114        4.0195343995        4.5207929134
 Pt        12.5707297491        4.0248474152        4.5205645814
 Pt        15.3521038737        4.0347286395        4.5190425628
 Pt         2.7828885826        6.4562328387        4.5284925964
 Pt         5.5765749698        6.4366519530        4.5313140006
 Pt         8.3739539511        6.4433254534        4.5089243437
 Pt        11.1662678105        6.4476871135        4.5075717798
 Pt        13.9579074110        6.4388064542        4.5181702528
 Pt        16.7643306117        6.4484527704        4.5276212992
 Pt         4.1967695476        8.8632941804        4.5241732022
 Pt         6.9708768892        8.8702087818        4.5245215666
 Pt         9.7668869252        8.8638979454        4.5085232833
 Pt        12.5702028983        8.8665831416        4.5184760488
 Pt        15.3505247292        8.8737308988        4.5217333780
 Pt        18.1422404171        8.8554032000        4.5286300281
 Pt         5.5760523928       11.2723877096        4.5258075545
 Pt         8.3801726409       11.2834709169        4.5195192122
 Pt        11.1622704657       11.2908282579        4.5220586688
 Pt        13.9559386204       11.2751697893        4.5217997184
 Pt        16.7653742775       11.2844532111        4.5286612858
 Pt        19.5361264021       11.2915286565        4.5276515359
 Pt         6.9679960367       13.7112705145        4.5301490254
 Pt         9.7641627491       13.6920913343        4.5210319837
 Pt        12.5743227033       13.7003509984        4.5246634461
 Pt        15.3505257459       13.7075409372        4.5272274050
 Pt        18.1439840790       13.6875157343        4.5293405611
 Pt        20.9505282873       13.7014457662        4.5329447606
 Pt        -0.0017799750       -0.0054953624        6.7847645376
 Pt         2.7878213046       -0.0073471410        6.7508220288
 Pt         5.5779501230       -0.0047037536        6.8638891286
 Pt         8.3719921989       -0.0019437766        6.7851724080
 Pt        11.1626017199       -0.0005188102        6.7570476371
 Pt        13.9581646112       -0.0029490139        6.8897291222
 Pt         1.3927761382        2.4133241960        6.8775211296
 Pt         4.1841225628        2.4134992191        6.7845032968
 Pt         6.9779330440        2.4136662522        6.7527125694
 Pt         9.7674575042        2.4187224491        6.8401290691
 Pt        12.5570517733        2.4197457603        6.7855310955
 Pt        15.3513316716        2.4190836041        6.7521551224
 Pt         2.7888302198        4.8330332750        6.7562204037
 Pt         5.5780448738        4.8294496442        6.8659763757
 Pt         8.3745377401        4.8379800087        6.7863555035
 Pt        11.1590921406        4.8378460832        6.7568955664
 Pt        13.9542468622        4.8332687572        6.8306143386
 Pt        16.7452238086        4.8345131610        6.7852407833
 Pt         4.1879795855        7.2491593654        6.7879525155
 Pt         6.9896010511        7.2461443792        6.7643163613
 Pt         9.7636386512        7.2492390099        6.7923779838
 Pt        12.5517981920        7.2482170463        6.7732269419
 Pt        15.3489982328        7.2501115722        6.7518408060
 Pt        18.1455175887        7.2501646333        6.8748032102
 Pt         5.5847304753        9.6642691322        6.8541191910
 Pt         8.3787119933        9.6628542164        6.7825909735
 Pt        11.1566487884        9.6635588646        6.7588764400
 Pt        13.9500419656        9.6652750887        6.8362453512
 Pt        16.7441377491        9.6670935600        6.7861773390
 Pt        19.5425576524        9.6668794877        6.7528208011
 Pt         6.9802756735       12.0828725265        6.7518878033
 Pt         9.7686399875       12.0829490171        6.8386910437
 Pt        12.5571533178       12.0817313279        6.7841532661
 Pt        15.3500875205       12.0830160122        6.7539841998
 Pt        18.1450811361       12.0839334952        6.8787952252
 Pt        20.9372632353       12.0842406965        6.7881027939
  O         1.3668635477        2.3939252278        9.4709857110
  H         1.8780517147        3.1976610186        9.7608114484
  H         1.9088177340        1.6074836131        9.7559697505
  O         2.7121302994        4.8351198192        9.9067072761
  H         2.6683549597        4.8430470399        8.9054183518
  H         3.6982558224        4.8147333004       10.0320529760
  O         5.4874542311        4.8018992028        9.4731234970
  H         5.9879065491        5.6167591630        9.7364746742
  H         6.0458640844        4.0284520249        9.7639714747
  O         6.9199915823        2.4446749813        9.9058933287
  H         6.8969947778        2.4353627416        8.9036589387
  H         7.9030116471        2.4274100241       10.0543229151
  O         5.5189497087       -0.0009605875        9.4768991373
  H         6.0460514236        0.7925875222        9.7625251985
  H         6.0534050752       -0.7920142715        9.7577591226
  O         2.7457524013       -0.0026878626        9.9054622682
  H         2.6911845764       -0.0343290618        8.9052440732
  H         3.7330543528        0.0018194018       10.0241012651
  O         5.5096449298        9.6748459596        9.4779483730
  H         6.0522453746       10.4518986037        9.7774272099
  H         6.0125140034        8.8618175399        9.7441756908
  O         6.9202954296       12.1167404000        9.9003700479
  H         6.9119555782       12.0611750213        8.8986407105
  H         7.9011704150       12.1205658855       10.0613601784
  O         9.7185415546       12.0653742659        9.5566571247
  H        10.2500530256       12.8612126395        9.8286760032
  H        10.2419991148       11.2873592634        9.8525231312
  O        11.2329692133        9.4856500878        9.9121908687
  H        11.1139769043        9.6007510294        8.9139083444
  H        12.2429583201        9.5269976605        9.9753331925
  O        10.0787913099        7.2717307651        9.9276791123
  H         9.8454182573        7.2682670980        8.9233957595
  H        10.6599079592        8.1812811420       10.0330281900
  H        10.6560518523        6.3727937540       10.0358603282
  O         6.8487195069        7.2252962840        9.9223649793
  H         7.1076267890        7.2251490974        8.9521627002
  H         7.7072334603        7.2245950520       10.3929729745
  O         9.7156963490        2.3961609251        9.5562559410
  H        10.2415413757        3.1730709172        9.8467377619
  H        10.2449159164        1.5986617223        9.8340372269
  O        11.2397340971        5.0321012990        9.9152446575
  H        11.1056183614        4.9125550820        8.9228864743
  H        12.2485640735        4.9790786650        9.9650238330
  O        13.8920657383        4.8448787193        9.5667419842
  H        14.4496414658        5.6264283794        9.8272143247
  H        14.3967321744        4.0400820042        9.8564803294
  O        15.2971784455        2.3890208839        9.8997705212
  H        15.2651170115        2.4751504031        8.9008299849
  H        16.2806692571        2.3704911904       10.0389171889
  O        13.9292024039        0.0002266567        9.3950901814
  H        14.4629989388        0.7956016024        9.6797699462
  H        14.4591076129       -0.7948858464        9.6867003242
  O        11.0949203004       -0.0020558448        9.9077106875
  H        11.0454106315        0.0111030840        8.9054150290
  H        12.0782321520       -0.0009021228       10.0319543573
  O        13.8976477138        9.6506121967        9.5616178461
  H        14.4094518680       10.4567014494        9.8442531749
  H        14.4574431828        8.8674847439        9.8212403100
  O        15.2972725030       12.0600365670        9.9085169771
  H        15.2548689889       12.0397065108        8.9074608089
  H        16.2812865326       12.0577783391       10.0408703926
  O        18.1229944776       12.0636600914        9.4721742631
  H        18.6444488678       12.8599113820        9.7603646508
  H        18.6573452064       11.2728182675        9.7591073434
  O        19.5023146594        9.6721957156        9.9017739038
  H        19.4581211975        9.6672910059        8.8995456133
  H        20.4896510931        9.6780221927       10.0248699075
  O        18.1228234613        7.2788959879        9.4746667709
  H        18.6574809806        8.0686610588        9.7633176811
  H        18.6412427208        6.4815117414        9.7677564331
  O        15.3023371923        7.2809568185        9.9070733931
  H        15.2479050296        7.2643971797        8.9056931444
  H        16.2892370477        7.2894985431       10.0275696366
     217
 i =       44, E =    -17723.0233590668
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0107110301        1.6120982635        4.5289539342
 Pt         2.7838413559        1.6191148530        4.5276912163
 Pt         5.5773968674        1.5994518934        4.5261841547
 Pt         8.3835160521        1.6095085220        4.5207023689
 Pt        11.1603668758        1.6157962456        4.5226170300
 Pt        13.9534638403        1.5975414241        4.5310762125
 Pt         1.3925804630        4.0177346518        4.5300181820
 Pt         4.1968596283        4.0300972256        4.5248567005
 Pt         6.9696127746        4.0352038362        4.5272445584
 Pt         9.7637474307        4.0197262823        4.5207117108
 Pt        12.5703538804        4.0247501971        4.5203445645
 Pt        15.3520663434        4.0346967324        4.5186762693
 Pt         2.7828357084        6.4559640979        4.5282644643
 Pt         5.5764450669        6.4370399611        4.5308968256
 Pt         8.3737435143        6.4432355177        4.5089682879
 Pt        11.1662032216        6.4476684117        4.5072232665
 Pt        13.9577941612        6.4390732455        4.5181564014
 Pt        16.7641478716        6.4482578497        4.5274887569
 Pt         4.1967622029        8.8633907133        4.5240685966
 Pt         6.9710850089        8.8698069471        4.5247592403
 Pt         9.7667459127        8.8638159857        4.5083008306
 Pt        12.5697828264        8.8663911157        4.5183518041
 Pt        15.3504354080        8.8735713117        4.5213570046
 Pt        18.1422123115        8.8553568502        4.5286926943
 Pt         5.5759511309       11.2721418992        4.5256128789
 Pt         8.3799074715       11.2832150732        4.5195143998
 Pt        11.1624550555       11.2903963988        4.5219670130
 Pt        13.9561119332       11.2751470285        4.5217683305
 Pt        16.7652080983       11.2845035954        4.5281051177
 Pt        19.5360067072       11.2914177149        4.5272282001
 Pt         6.9680113660       13.7109203574        4.5298745102
 Pt         9.7642274951       13.6919664192        4.5206778784
 Pt        12.5741470807       13.7002873495        4.5245260949
 Pt        15.3506048074       13.7072972734        4.5273137042
 Pt        18.1441068713       13.6874665695        4.5288995029
 Pt        20.9502412643       13.7014917109        4.5328736289
 Pt        -0.0016524415       -0.0057853358        6.7843374033
 Pt         2.7876650455       -0.0077901418        6.7508109554
 Pt         5.5778290585       -0.0048158845        6.8645277894
 Pt         8.3716933615       -0.0019559967        6.7847438376
 Pt        11.1625514211       -0.0004852135        6.7569981194
 Pt        13.9580351997       -0.0031687044        6.8905315807
 Pt         1.3927662604        2.4130627928        6.8780255433
 Pt         4.1839831668        2.4132270977        6.7840156905
 Pt         6.9777203610        2.4133627690        6.7526706341
 Pt         9.7675007996        2.4186233645        6.8404366635
 Pt        12.5568390370        2.4196071515        6.7857358571
 Pt        15.3513059963        2.4188677622        6.7523647237
 Pt         2.7885356826        4.8326988436        6.7559758988
 Pt         5.5772910981        4.8292257207        6.8657212316
 Pt         8.3745185849        4.8381165032        6.7868024317
 Pt        11.1589571815        4.8376048614        6.7563978942
 Pt        13.9541068484        4.8330574547        6.8306206733
 Pt        16.7450192356        4.8342191617        6.7847986113
 Pt         4.1878681391        7.2490700177        6.7881066440
 Pt         6.9894530040        7.2459983299        6.7643363756
 Pt         9.7635961056        7.2489278195        6.7932807805
 Pt        12.5516159098        7.2479217479        6.7734152723
 Pt        15.3486411374        7.2499185170        6.7519592729
 Pt        18.1455770606        7.2498005101        6.8758019895
 Pt         5.5845466118        9.6641064227        6.8543103009
 Pt         8.3785902615        9.6623022933        6.7828691771
 Pt        11.1564703364        9.6632504762        6.7584584278
 Pt        13.9499146629        9.6650361228        6.8365987655
 Pt        16.7439196144        9.6668331501        6.7859567551
 Pt        19.5423999263        9.6666081707        6.7522567037
 Pt         6.9799897642       12.0824906404        6.7519138793
 Pt         9.7689108289       12.0830891304        6.8391313156
 Pt        12.5569905992       12.0813512068        6.7843074313
 Pt        15.3498431632       12.0830271132        6.7539689558
 Pt        18.1449719579       12.0839652499        6.8793340590
 Pt        20.9372762290       12.0841080211        6.7877028397
  O         1.3687386839        2.3913653568        9.4717725220
  H         1.8797578036        3.1959964296        9.7605490028
  H         1.9116443578        1.6055154263        9.7556229930
  O         2.7119147340        4.8349481052        9.9065978390
  H         2.6667602806        4.8429238938        8.9053494666
  H         3.6979672286        4.8143611491       10.0298549336
  O         5.4861984129        4.8010245323        9.4729907096
  H         5.9867844483        5.6176241423        9.7373756497
  H         6.0438749933        4.0288218013        9.7638210659
  O         6.9197887424        2.4452534276        9.9057016239
  H         6.8975776755        2.4350469285        8.9034489085
  H         7.9029375029        2.4276474782       10.0538561651
  O         5.5187605561       -0.0010443714        9.4778158944
  H         6.0464825548        0.7927657651        9.7622160753
  H         6.0537234574       -0.7920242281        9.7579085698
  O         2.7459065290       -0.0028608162        9.9059756942
  H         2.6913025785       -0.0355009831        8.9058391840
  H         3.7331626768        0.0016158408       10.0225453273
  O         5.5088840486        9.6747308368        9.4791435208
  H         6.0529604560       10.4510376728        9.7776171614
  H         6.0129832681        8.8620752895        9.7435967229
  O         6.9208326372       12.1171341348        9.9005347444
  H         6.9125738083       12.0597220957        8.8988131275
  H         7.9015821924       12.1204161654       10.0605967149
  O         9.7166911173       12.0661587932        9.5582497224
  H        10.2518440931       12.8601571723        9.8288715299
  H        10.2414708411       11.2883567826        9.8527751025
  O        11.2346779999        9.4846384100        9.9118151546
  H        11.1160805229        9.6011646990        8.9146475566
  H        12.2449018169        9.5298700841        9.9744475389
  O        10.0852033832        7.2718630023        9.9282936064
  H         9.8482772715        7.2672914332        8.9253416781
  H        10.6644936475        8.1819985925       10.0332506412
  H        10.6623128335        6.3717673038       10.0364071847
  O         6.8495491760        7.2241256087        9.9226809086
  H         7.1101658655        7.2242529978        8.9530496677
  H         7.7063677574        7.2239378145       10.3966365570
  O         9.7148307963        2.3962460428        9.5578233206
  H        10.2424100452        3.1727629607        9.8463858181
  H        10.2457653767        1.5989443792        9.8336054410
  O        11.2425004964        5.0325360007        9.9144409695
  H        11.1092545512        4.9121225791        8.9223527293
  H        12.2509380188        4.9786465134        9.9646974597
  O        13.8931528552        4.8453536978        9.5666131185
  H        14.4509239964        5.6261450808        9.8275634923
  H        14.3977643917        4.0406510365        9.8572431802
  O        15.2973344708        2.3882537451        9.9001954981
  H        15.2663532025        2.4760707536        8.9013554960
  H        16.2806275327        2.3698776646       10.0379598190
  O        13.9283179391        0.0003351836        9.3965185064
  H        14.4629542649        0.7951916038        9.6804044043
  H        14.4591189662       -0.7946683556        9.6870443207
  O        11.0953746986       -0.0019391979        9.9078531576
  H        11.0453600398        0.0107592793        8.9056430245
  H        12.0787421548       -0.0008077539       10.0305760883
  O        13.8981638388        9.6503833162        9.5615964027
  H        14.4089657369       10.4568375841        9.8435898908
  H        14.4577033528        8.8667051184        9.8210121322
  O        15.2969947665       12.0601559201        9.9090714867
  H        15.2551099040       12.0398986666        8.9079184090
  H        16.2806276404       12.0584080825       10.0400259292
  O        18.1223020016       12.0635933822        9.4731589298
  H        18.6444059497       12.8605635254        9.7604958158
  H        18.6572731076       11.2730051035        9.7585305379
  O        19.5018961459        9.6721600131        9.9010634349
  H        19.4587946572        9.6674357205        8.8988065616
  H        20.4892520398        9.6779881151       10.0244139695
  O        18.1219087385        7.2785637643        9.4755756467
  H        18.6570823775        8.0684460155        9.7624569142
  H        18.6411491760        6.4806870099        9.7676578531
  O        15.3022413295        7.2810849739        9.9077383765
  H        15.2482300804        7.2644987392        8.9060263646
  H        16.2883425966        7.2891338361       10.0270581152
     217
 i =       45, E =    -17723.0233673509
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0105108931        1.6121942496        4.5287424132
 Pt         2.7837009604        1.6188669334        4.5275463872
 Pt         5.5774636917        1.5993317827        4.5260405994
 Pt         8.3835464114        1.6093424107        4.5206823728
 Pt        11.1602030966        1.6157621414        4.5225105231
 Pt        13.9536236144        1.5977390225        4.5310906225
 Pt         1.3925631366        4.0175220129        4.5299110394
 Pt         4.1967981848        4.0300114038        4.5243656520
 Pt         6.9697667966        4.0349664149        4.5269772397
 Pt         9.7635493506        4.0198308335        4.5205934553
 Pt        12.5701168657        4.0247090744        4.5201351632
 Pt        15.3519220797        4.0347191492        4.5184335189
 Pt         2.7827560680        6.4558622289        4.5281892968
 Pt         5.5763530118        6.4372947526        4.5305782653
 Pt         8.3736330845        6.4431756861        4.5090312154
 Pt        11.1660554504        6.4477506405        4.5069665732
 Pt        13.9576392359        6.4392342735        4.5181381909
 Pt        16.7640771346        6.4482058111        4.5274374805
 Pt         4.1967642487        8.8635210158        4.5239581899
 Pt         6.9712400916        8.8696159567        4.5249046758
 Pt         9.7665493528        8.8637064637        4.5081709106
 Pt        12.5695486417        8.8662810548        4.5182123649
 Pt        15.3503487764        8.8734698320        4.5210547823
 Pt        18.1421891894        8.8552228697        4.5287445746
 Pt         5.5759680874       11.2719901393        4.5254571031
 Pt         8.3798073007       11.2830196567        4.5196704767
 Pt        11.1625891484       11.2901758027        4.5218602082
 Pt        13.9562543965       11.2751360535        4.5217436551
 Pt        16.7651476184       11.2845917522        4.5277692009
 Pt        19.5358920841       11.2913988758        4.5269543139
 Pt         6.9679969750       13.7106805187        4.5297927876
 Pt         9.7643338222       13.6917983781        4.5203933228
 Pt        12.5741197859       13.7002998135        4.5245441646
 Pt        15.3505922198       13.7071814602        4.5273804238
 Pt        18.1442588486       13.6873776192        4.5286414097
 Pt        20.9502046819       13.7016388406        4.5327947852
 Pt        -0.0014594574       -0.0059418436        6.7838494948
 Pt         2.7876572584       -0.0080465554        6.7508752411
 Pt         5.5777126562       -0.0048459310        6.8652431741
 Pt         8.3715813514       -0.0019469103        6.7842998680
 Pt        11.1625953579       -0.0003943822        6.7569349450
 Pt        13.9580694426       -0.0032203477        6.8910696111
 Pt         1.3928491340        2.4129434054        6.8783309564
 Pt         4.1839409731        2.4130752747        6.7834680333
 Pt         6.9776223152        2.4132897291        6.7525876367
 Pt         9.7675291637        2.4186170140        6.8405018439
 Pt        12.5567706705        2.4195253154        6.7857480742
 Pt        15.3513722242        2.4187569936        6.7526419385
 Pt         2.7883817766        4.8324948214        6.7557443667
 Pt         5.5768328095        4.8292058502        6.8654589989
 Pt         8.3744962084        4.8383138210        6.7870190343
 Pt        11.1589051908        4.8374895586        6.7558362854
 Pt        13.9540105264        4.8329135282        6.8306094823
 Pt        16.7448737753        4.8340673962        6.7842433525
 Pt         4.1878263374        7.2490642330        6.7880994660
 Pt         6.9893531609        7.2459244826        6.7642908092
 Pt         9.7636888583        7.2487599998        6.7939574075
 Pt        12.5514420863        7.2477254659        6.7734158651
 Pt        15.3484062843        7.2498482620        6.7519684727
 Pt        18.1456765864        7.2494809493        6.8767186019
 Pt         5.5844129609        9.6640223407        6.8543883431
 Pt         8.3786153049        9.6619417083        6.7831255183
 Pt        11.1563144687        9.6630727250        6.7579643225
 Pt        13.9498856611        9.6649044456        6.8367079899
 Pt        16.7437575772        9.6666852069        6.7855327786
 Pt        19.5423037849        9.6664835643        6.7518183728
 Pt         6.9798593439       12.0821900665        6.7520540828
 Pt         9.7691295913       12.0832489279        6.8394143859
 Pt        12.5569418765       12.0811060201        6.7843264061
 Pt        15.3497374463       12.0830760451        6.7539836156
 Pt        18.1449703807       12.0840413384        6.8797616677
 Pt        20.9373599279       12.0840603205        6.7872145504
  O         1.3695506384        2.3909673505        9.4724574696
  H         1.8810455881        3.1949223730        9.7604869216
  H         1.9136562395        1.6043198192        9.7556977416
  O         2.7116241129        4.8348285119        9.9063417029
  H         2.6661863167        4.8425337289        8.9055328344
  H         3.6982024417        4.8143096625       10.0288657598
  O         5.4866035507        4.8037028426        9.4731413016
  H         5.9865306635        5.6174336702        9.7387298003
  H         6.0440807439        4.0286108149        9.7644441248
  O         6.9201291720        2.4455212970        9.9056567756
  H         6.8981538110        2.4347527875        8.9035677303
  H         7.9028099075        2.4277984253       10.0537670941
  O         5.5189784051       -0.0011903528        9.4784259589
  H         6.0471877734        0.7930203246        9.7620246732
  H         6.0541522168       -0.7918297807        9.7581374162
  O         2.7460989705       -0.0030494581        9.9064540383
  H         2.6917562754       -0.0364426978        8.9066962411
  H         3.7337274515        0.0015896441       10.0220704467
  O         5.5086926322        9.6750661779        9.4799972419
  H         6.0535233444       10.4503998357        9.7775804136
  H         6.0135323405        8.8622806919        9.7439947237
  O         6.9209085178       12.1174569812        9.9009426088
  H         6.9126804199       12.0597448057        8.8995110798
  H         7.9024424134       12.1203345396       10.0602624176
  O         9.7160966988       12.0672529770        9.5596943601
  H        10.2532457281       12.8598528863        9.8290262065
  H        10.2412551674       11.2897024308        9.8529317002
  O        11.2367824075        9.4841377078        9.9120211806
  H        11.1173607396        9.6011457843        8.9147243427
  H        12.2466318656        9.5321796961        9.9733811370
  O        10.0874343159        7.2713551953        9.9289684414
  H         9.8506413683        7.2667281225        8.9267475236
  H        10.6678525839        8.1822517919       10.0337656819
  H        10.6658073827        6.3709292170       10.0371156033
  O         6.8505480309        7.2234090394        9.9231656923
  H         7.1110838085        7.2240840592        8.9534588051
  H         7.7071258448        7.2233493024       10.3977173349
  O         9.7141801301        2.3947162851        9.5588615274
  H        10.2435956922        3.1732288514        9.8465206072
  H        10.2460927355        1.5996474843        9.8330321471
  O        11.2421699276        5.0327285820        9.9139066598
  H        11.1109614464        4.9118976906        8.9214947478
  H        12.2514431068        4.9783336283        9.9649101253
  O        13.8939660330        4.8451084872        9.5664623120
  H        14.4519344750        5.6261173849        9.8279163568
  H        14.3984620200        4.0412249336        9.8578448104
  O        15.2971453666        2.3877902271        9.9009855266
  H        15.2669175998        2.4759201596        8.9023018523
  H        16.2808560153        2.3700062340       10.0379612181
  O        13.9272365679        0.0000546214        9.3980154776
  H        14.4619826758        0.7949013575        9.6817852942
  H        14.4579993625       -0.7943431158        9.6879866321
  O        11.0952913384       -0.0017854374        9.9078889367
  H        11.0459568766        0.0109608643        8.9059928897
  H        12.0794501413       -0.0009452891       10.0303009601
  O        13.8984790294        9.6499573936        9.5613708537
  H        14.4086715611       10.4573621482        9.8432893398
  H        14.4580692496        8.8664573887        9.8210343170
  O        15.2961275865       12.0603495637        9.9092291206
  H        15.2553002998       12.0400022161        8.9086249552
  H        16.2805584207       12.0591466240       10.0400336083
  O        18.1219589514       12.0640729934        9.4739606388
  H        18.6437992019       12.8607227839        9.7605171204
  H        18.6575383802       11.2730249168        9.7586751466
  O        19.5017430885        9.6721278259        9.9006010945
  H        19.4594351781        9.6676902030        8.8985089500
  H        20.4888715247        9.6780482338       10.0244990300
  O        18.1212813501        7.2780237948        9.4761811815
  H        18.6567433071        8.0679708276        9.7621586470
  H        18.6405297304        6.4799878790        9.7674828573
  O        15.3011112888        7.2811315246        9.9078020845
  H        15.2486281248        7.2644758836        8.9067873977
  H        16.2884624636        7.2884780701       10.0273674104
     217
 i =       46, E =    -17723.0233805445
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0105366712        1.6121283521        4.5288745240
 Pt         2.7837002019        1.6188734022        4.5276153995
 Pt         5.5774299254        1.5992390310        4.5260943522
 Pt         8.3835571297        1.6093933199        4.5207059361
 Pt        11.1602404823        1.6158037490        4.5225844376
 Pt        13.9535335948        1.5975877725        4.5311899351
 Pt         1.3925470525        4.0175182681        4.5299568750
 Pt         4.1968271095        4.0300372451        4.5245059133
 Pt         6.9696946504        4.0351053030        4.5271624640
 Pt         9.7635066696        4.0197404369        4.5206535013
 Pt        12.5702087831        4.0247358865        4.5202209150
 Pt        15.3518728934        4.0346942007        4.5185417558
 Pt         2.7826980141        6.4559316614        4.5283015880
 Pt         5.5763701137        6.4371001134        4.5307155376
 Pt         8.3736764661        6.4431538603        4.5091071136
 Pt        11.1660256049        6.4477609351        4.5071505689
 Pt        13.9576072630        6.4391329213        4.5181549535
 Pt        16.7641382470        6.4482593718        4.5275363222
 Pt         4.1967424043        8.8634557770        4.5240026354
 Pt         6.9711828131        8.8697044618        4.5248755295
 Pt         9.7665160363        8.8636281009        4.5083043657
 Pt        12.5696956798        8.8662665976        4.5182835572
 Pt        15.3503158647        8.8734745160        4.5212298610
 Pt        18.1421544482        8.8551325958        4.5287387726
 Pt         5.5759722024       11.2719963575        4.5255135613
 Pt         8.3799004959       11.2830040389        4.5197472096
 Pt        11.1624816087       11.2902878799        4.5219052780
 Pt        13.9561911238       11.2750708186        4.5218069045
 Pt        16.7651583551       11.2845537618        4.5279714554
 Pt        19.5358723424       11.2914028974        4.5270873664
 Pt         6.9678762107       13.7107705085        4.5298873293
 Pt         9.7643197815       13.6917297692        4.5204885348
 Pt        12.5741679367       13.7002730623        4.5246263810
 Pt        15.3505295933       13.7072176874        4.5273439746
 Pt        18.1441980629       13.6873644363        4.5287982159
 Pt        20.9502984619       13.7016289376        4.5328211957
 Pt        -0.0015697740       -0.0059578780        6.7839125420
 Pt         2.7876909015       -0.0080291978        6.7508679737
 Pt         5.5776415561       -0.0049009703        6.8650511711
 Pt         8.3716240587       -0.0019901474        6.7844004466
 Pt        11.1625317353       -0.0004408687        6.7569894079
 Pt        13.9580472294       -0.0032242527        6.8908569065
 Pt         1.3928121796        2.4128643665        6.8782471832
 Pt         4.1838945843        2.4130078424        6.7835089546
 Pt         6.9776185082        2.4133442673        6.7525574774
 Pt         9.7674492200        2.4185879763        6.8404502899
 Pt        12.5567985396        2.4194851232        6.7857078779
 Pt        15.3513257012        2.4187061966        6.7525662814
 Pt         2.7883501718        4.8324923102        6.7557800757
 Pt         5.5768979736        4.8291763242        6.8653571893
 Pt         8.3743948032        4.8381933923        6.7869350613
 Pt        11.1589112846        4.8375033932        6.7559892859
 Pt        13.9539983783        4.8328873538        6.8304964326
 Pt        16.7448672533        4.8340599339        6.7843740911
 Pt         4.1877897882        7.2489878201        6.7880380249
 Pt         6.9893081996        7.2458360089        6.7643789983
 Pt         9.7636522187        7.2487502924        6.7937488306
 Pt        12.5514158870        7.2477048071        6.7733749898
 Pt        15.3484597441        7.2498259942        6.7519678001
 Pt        18.1455870832        7.2494396102        6.8764944023
 Pt         5.5843812773        9.6640032188        6.8543386847
 Pt         8.3786376275        9.6620123988        6.7830710388
 Pt        11.1562693088        9.6630458558        6.7581536392
 Pt        13.9498900412        9.6648819698        6.8366368260
 Pt        16.7437303579        9.6666931175        6.7855917963
 Pt        19.5423082695        9.6665081124        6.7518925268
 Pt         6.9799070194       12.0822067227        6.7519861193
 Pt         9.7690002420       12.0830915125        6.8392374101
 Pt        12.5569459912       12.0811224244        6.7843120101
 Pt        15.3497525790       12.0829919676        6.7539980327
 Pt        18.1449152686       12.0840195642        6.8795287185
 Pt        20.9372891590       12.0840213088        6.7872751272
  O         1.3697616855        2.3904228824        9.4722823392
  H         1.8811776493        3.1947537689        9.7604913698
  H         1.9137156361        1.6042989555        9.7555733678
  O         2.7116883826        4.8348344952        9.9063543213
  H         2.6658325515        4.8425876558        8.9053282847
  H         3.6981730653        4.8142687690       10.0286386950
  O         5.4860247542        4.8029064543        9.4731077932
  H         5.9863188265        5.6175553266        9.7385621429
  H         6.0435617116        4.0288743242        9.7642287032
  O         6.9200068704        2.4453812713        9.9055940334
  H         6.8980707993        2.4347987316        8.9033884673
  H         7.9028891171        2.4278558987       10.0538132300
  O         5.5189912841       -0.0011348832        9.4781797244
  H         6.0470457128        0.7929444041        9.7620319744
  H         6.0540804799       -0.7918451222        9.7581467563
  O         2.7462361316       -0.0031047717        9.9063192420
  H         2.6914607132       -0.0365204685        8.9063904092
  H         3.7338213183        0.0015852443       10.0220690136
  O         5.5089601663        9.6749174903        9.4795775523
  H         6.0534762081       10.4505866222        9.7776922678
  H         6.0134134739        8.8620692199        9.7437768142
  O         6.9210494015       12.1172822381        9.9008153120
  H         6.9127082011       12.0594130580        8.8993279446
  H         7.9023191881       12.1204096405       10.0602828510
  O         9.7164420080       12.0671097749        9.5593419157
  H        10.2530718586       12.8600219475        9.8290553905
  H        10.2410476177       11.2891631652        9.8529815416
  O        11.2371628727        9.4847920994        9.9120587746
  H        11.1173696965        9.6011870245        8.9145920829
  H        12.2469091116        9.5320017973        9.9735858127
  O        10.0878895585        7.2715929533        9.9291464120
  H         9.8508718576        7.2666247893        8.9269279170
  H        10.6681112257        8.1821812800       10.0335841904
  H        10.6662442245        6.3710408269       10.0368576789
  O         6.8502791406        7.2236931798        9.9231594892
  H         7.1116547540        7.2238596504        8.9537285086
  H         7.7066028034        7.2232927642       10.3981430079
  O         9.7145491902        2.3953333956        9.5585250208
  H        10.2433152126        3.1729891739        9.8463755338
  H        10.2461516945        1.5994055433        9.8331416049
  O        11.2429552651        5.0321733920        9.9141767022
  H        11.1112501308        4.9119581981        8.9213829872
  H        12.2520532550        4.9783900985        9.9649334864
  O        13.8940132013        4.8452683062        9.5664934286
  H        14.4519474860        5.6262549530        9.8279100157
  H        14.3985310497        4.0410125949        9.8578881994
  O        15.2974199266        2.3880000707        9.9007415088
  H        15.2668263215        2.4761535050        8.9020718690
  H        16.2809699382        2.3697119764       10.0380564365
  O        13.9273550299        0.0001420910        9.3977311499
  H        14.4622719872        0.7950708315        9.6816946067
  H        14.4583537752       -0.7945927708        9.6879578080
  O        11.0954643690       -0.0018048150        9.9078629296
  H        11.0457021395        0.0108198917        8.9058238964
  H        12.0794097309       -0.0009013730       10.0301352283
  O        13.8983724451        9.6500596738        9.5613372542
  H        14.4088240315       10.4571032513        9.8432610119
  H        14.4580513678        8.8665742464        9.8210342671
  O        15.2964279524       12.0603419295        9.9091730950
  H        15.2551120941       12.0400287937        8.9083406610
  H        16.2805869617       12.0590877973       10.0400877279
  O        18.1220329379       12.0639208274        9.4736533062
  H        18.6439309365       12.8607543756        9.7605938320
  H        18.6573832867       11.2731978971        9.7585312056
  O        19.5017179090        9.6721424274        9.9005140219
  H        19.4593826434        9.6676568931        8.8982933383
  H        20.4889106594        9.6780164831       10.0244647129
  O        18.1213880630        7.2780852621        9.4758608298
  H        18.6567140649        8.0679280088        9.7620749996
  H        18.6406387438        6.4800986180        9.7675521388
  O        15.3014909005        7.2811192028        9.9078173961
  H        15.2484293294        7.2644932253        8.9065199116
  H        16.2883893120        7.2885912233       10.0273988267
     217
 i =       47, E =    -17723.0233926761
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0105052813        1.6120720154        4.5290323021
 Pt         2.7836552248        1.6187940117        4.5276725092
 Pt         5.5774406167        1.5990353434        4.5261339158
 Pt         8.3835639867        1.6094022537        4.5207330338
 Pt        11.1602466181        1.6158484604        4.5226387161
 Pt        13.9535168715        1.5974185627        4.5313719029
 Pt         1.3925413301        4.0174428565        4.5299739372
 Pt         4.1968641140        4.0300775326        4.5245721792
 Pt         6.9696248871        4.0352497462        4.5273860217
 Pt         9.7633397746        4.0196181973        4.5206716838
 Pt        12.5702562589        4.0247703293        4.5202524305
 Pt        15.3517104525        4.0346446673        4.5186458230
 Pt         2.7825517296        6.4560202014        4.5284680334
 Pt         5.5763661538        6.4368836970        4.5307771649
 Pt         8.3737088894        6.4431013625        4.5092272111
 Pt        11.1659087353        6.4478252172        4.5073061467
 Pt        13.9574768427        6.4390062839        4.5181661882
 Pt        16.7642043756        6.4483567153        4.5276578610
 Pt         4.1966871390        8.8634621458        4.5240250070
 Pt         6.9711344549        8.8698160473        4.5248579132
 Pt         9.7663572087        8.8634687359        4.5084310406
 Pt        12.5698591738        8.8662256256        4.5183105132
 Pt        15.3502339675        8.8734346159        4.5213601229
 Pt        18.1421230310        8.8549505924        4.5287384704
 Pt         5.5760424100       11.2719862731        4.5255513532
 Pt         8.3800325125       11.2829344063        4.5199882662
 Pt        11.1623427105       11.2904030789        4.5218906894
 Pt        13.9561699099       11.2749659744        4.5218840219
 Pt        16.7651707705       11.2845623627        4.5281851571
 Pt        19.5358102543       11.2914214784        4.5272336341
 Pt         6.9677043948       13.7108065551        4.5300407650
 Pt         9.7643881178       13.6915637718        4.5205459286
 Pt        12.5742585747       13.7002759816        4.5247736385
 Pt        15.3504187207       13.7072208170        4.5272914827
 Pt        18.1442077058       13.6873046414        4.5289859880
 Pt        20.9504673717       13.7016997489        4.5327821662
 Pt        -0.0016229563       -0.0060238691        6.7837813394
 Pt         2.7877893556       -0.0080801696        6.7509454862
 Pt         5.5774694922       -0.0049688642        6.8650402065
 Pt         8.3716730000       -0.0020705885        6.7843130435
 Pt        11.1625087348       -0.0004509382        6.7570979893
 Pt        13.9580470844       -0.0031945909        6.8905938689
 Pt         1.3928361014        2.4127358680        6.8781778065
 Pt         4.1838398066        2.4128725474        6.7833079471
 Pt         6.9775751934        2.4134664801        6.7525349547
 Pt         9.7673189735        2.4185356193        6.8402910666
 Pt        12.5568506413        2.4194083455        6.7855278734
 Pt        15.3513375312        2.4186175324        6.7526803818
 Pt         2.7882689815        4.8324280929        6.7558260243
 Pt         5.5768944658        4.8292116820        6.8651054370
 Pt         8.3742555312        4.8381201095        6.7867967250
 Pt        11.1589054813        4.8375096557        6.7560110130
 Pt        13.9539273375        4.8328116467        6.8303160890
 Pt        16.7448026024        4.8340276288        6.7842640123
 Pt         4.1877501092        7.2488707342        6.7878305862
 Pt         6.9892287903        7.2457197054        6.7644515317
 Pt         9.7637154957        7.2487203872        6.7935573648
 Pt        12.5513044045        7.2476452026        6.7732163359
 Pt        15.3484585550        7.2497971121        6.7519483594
 Pt        18.1455266339        7.2492220605        6.8764509330
 Pt         5.5842602758        9.6639554779        6.8542490383
 Pt         8.3787262553        9.6619875591        6.7830478229
 Pt        11.1561440804        9.6629619781        6.7582649901
 Pt        13.9499202006        9.6648383461        6.8364904336
 Pt        16.7436285916        9.6666481878        6.7853912778
 Pt        19.5422731431        9.6665119238        6.7519369989
 Pt         6.9799600588       12.0821101449        6.7520586289
 Pt         9.7688726151       12.0828832562        6.8390405830
 Pt        12.5569234826       12.0810590904        6.7841745243
 Pt        15.3497507097       12.0829161650        6.7540649447
 Pt        18.1448818007       12.0840220973        6.8793233625
 Pt        20.9372678884       12.0839655916        6.7871219181
  O         1.3701198539        2.3899384912        9.4723910056
  H         1.8818227536        3.1942405938        9.7605127778
  H         1.9142724833        1.6041167198        9.7554699903
  O         2.7117644751        4.8347963663        9.9063521869
  H         2.6652703032        4.8424137700        8.9052026193
  H         3.6982646431        4.8143112416       10.0281741612
  O         5.4857188346        4.8029565731        9.4732391620
  H         5.9864675429        5.6178531400        9.7391798576
  H         6.0431717380        4.0295452813        9.7642232278
  O         6.9199911826        2.4452602089        9.9055852973
  H         6.8981651524        2.4347622842        8.9032979367
  H         7.9029953375        2.4279893622       10.0539722741
  O         5.5191512315       -0.0010413889        9.4780096321
  H         6.0471650051        0.7929304364        9.7619842894
  H         6.0541851734       -0.7917799259        9.7582710204
  O         2.7466246765       -0.0032746310        9.9063534429
  H         2.6913368526       -0.0369821507        8.9063384331
  H         3.7342106246        0.0016168337       10.0220843028
  O         5.5093708989        9.6747714837        9.4792174331
  H         6.0535927538       10.4507176138        9.7777849553
  H         6.0134077218        8.8618620230        9.7438463487
  O         6.9212539200       12.1172083882        9.9009692554
  H         6.9126063418       12.0593853460        8.8994705031
  H         7.9024269834       12.1205616806       10.0602653156
  O         9.7167306695       12.0672251393        9.5594316888
  H        10.2532949657       12.8603262919        9.8292000335
  H        10.2409161981       11.2889298207        9.8531041300
  O        11.2385916987        9.4856342032        9.9120323109
  H        11.1178362302        9.6012048987        8.9145294424
  H        12.2483026604        9.5324371429        9.9733394054
  O        10.0887498279        7.2717782350        9.9296773611
  H         9.8520853859        7.2665110825        8.9274416425
  H        10.6694162444        8.1820391346       10.0336043381
  H        10.6672660903        6.3709074427       10.0368120344
  O         6.8503838238        7.2238911304        9.9233270464
  H         7.1125498635        7.2236351090        8.9541441697
  H         7.7064869689        7.2229849382       10.3986021726
  O         9.7148028401        2.3956838056        9.5583937863
  H        10.2432912363        3.1727785132        9.8462166139
  H        10.2463717733        1.5992446871        9.8330892690
  O        11.2433596636        5.0312326027        9.9142787982
  H        11.1117075636        4.9120658552        8.9210091527
  H        12.2524145481        4.9783835598        9.9653886215
  O        13.8944840358        4.8453170114        9.5663242537
  H        14.4521684505        5.6263745270        9.8280487405
  H        14.3988901882        4.0409134604        9.8582421257
  O        15.2976929524        2.3881279941        9.9008784766
  H        15.2667454700        2.4760991057        8.9022197254
  H        16.2811428404        2.3695239560       10.0384179672
  O        13.9269413057        0.0001717245        9.3980007272
  H        14.4619468785        0.7951238949        9.6820480260
  H        14.4580797861       -0.7947973205        9.6882443341
  O        11.0956202051       -0.0017638673        9.9078416060
  H        11.0456952138        0.0108570596        8.9057137268
  H        12.0794554846       -0.0009653719       10.0300488920
  O        13.8984297870        9.6501603324        9.5612188147
  H        14.4090277204       10.4569120246        9.8431810849
  H        14.4581636459        8.8668139708        9.8211617265
  O        15.2965756432       12.0604277405        9.9091876820
  H        15.2548950000       12.0400904462        8.9081993051
  H        16.2805227367       12.0593099961       10.0403369476
  O        18.1220239130       12.0637655732        9.4735097141
  H        18.6437808675       12.8607152450        9.7606844475
  H        18.6574317115       11.2733427357        9.7586083798
  O        19.5016903526        9.6721548116        9.9003626833
  H        19.4595330243        9.6677428773        8.8980332069
  H        20.4888562554        9.6780166644       10.0245804120
  O        18.1212915845        7.2780327864        9.4755850250
  H        18.6566858737        8.0677148240        9.7620533523
  H        18.6404051704        6.4800854829        9.7675408589
  O        15.3017105143        7.2811092539        9.9078983664
  H        15.2483470256        7.2644690798        8.9064023289
  H        16.2882721338        7.2883968801       10.0276789426
     217
 i =       48, E =    -17723.0234123741
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0103893918        1.6119753057        4.5292641290
 Pt         2.7835197932        1.6185443926        4.5276974095
 Pt         5.5775255787        1.5986294053        4.5261635376
 Pt         8.3835390980        1.6093353218        4.5207405641
 Pt        11.1602321715        1.6159054720        4.5226606341
 Pt        13.9535878132        1.5971940034        4.5316939533
 Pt         1.3925246890        4.0172351915        4.5299292860
 Pt         4.1969036075        4.0301195212        4.5245331065
 Pt         6.9695087915        4.0354156381        4.5276816398
 Pt         9.7629616572        4.0194183955        4.5206210466
 Pt        12.5702092380        4.0248095458        4.5201871066
 Pt        15.3513497224        4.0345251637        4.5187628808
 Pt         2.7822469464        6.4561391956        4.5287502465
 Pt         5.5763249680        6.4366221718        4.5307100751
 Pt         8.3737022483        6.4429987365        4.5094302854
 Pt        11.1655960471        6.4479589460        4.5074259154
 Pt        13.9571743704        6.4387975114        4.5181450623
 Pt        16.7642565601        6.4485035528        4.5278321427
 Pt         4.1965761594        8.8635504344        4.5239956205
 Pt         6.9710544120        8.8699589893        4.5248610081
 Pt         9.7659986831        8.8631496010        4.5085666297
 Pt        12.5700393366        8.8661617141        4.5182769805
 Pt        15.3500663247        8.8732986940        4.5214274129
 Pt        18.1420646956        8.8546055932        4.5287459358
 Pt         5.5762343828       11.2719619297        4.5255561786
 Pt         8.3802447688       11.2827611985        4.5204866206
 Pt        11.1621547998       11.2904956114        4.5217781493
 Pt        13.9561778593       11.2747826449        4.5219728457
 Pt        16.7651830021       11.2846149777        4.5284584866
 Pt        19.5356749634       11.2914622813        4.5274046855
 Pt         6.9674623789       13.7107363421        4.5303120548
 Pt         9.7645610638       13.6912284977        4.5205636505
 Pt        12.5744457115       13.7002815313        4.5250504848
 Pt        15.3502160425       13.7071589852        4.5272214419
 Pt        18.1443278679       13.6871782261        4.5292484314
 Pt        20.9507615797       13.7018970142        4.5326417512
 Pt        -0.0015976764       -0.0062181989        6.7833324797
 Pt         2.7879773211       -0.0082854406        6.7511942301
 Pt         5.5771272371       -0.0051049235        6.8653343994
 Pt         8.3717162607       -0.0022317568        6.7839410458
 Pt        11.1625570155       -0.0004254362        6.7572879121
 Pt        13.9580867861       -0.0031368864        6.8901701220
 Pt         1.3929477984        2.4124566099        6.8781006108
 Pt         4.1837597389        2.4126011416        6.7826734773
 Pt         6.9774385935        2.4137058059        6.7524936098
 Pt         9.7670627858        2.4184460491        6.8399179109
 Pt        12.5569404166        2.4192452450        6.7850942339
 Pt        15.3514410501        2.4184422387        6.7531269470
 Pt         2.7880896126        4.8322067031        6.7558718820
 Pt         5.5767658390        4.8293494169        6.8645339353
 Pt         8.3740107588        4.8380809431        6.7865585417
 Pt        11.1588534953        4.8374705458        6.7558559308
 Pt        13.9537581532        4.8326178337        6.8299929050
 Pt        16.7446049995        4.8339026200        6.7837776966
 Pt         4.1876640168        7.2486502796        6.7873407379
 Pt         6.9890649648        7.2455372840        6.7645333816
 Pt         9.7639019976        7.2486198887        6.7933976368
 Pt        12.5510435391        7.2475051603        6.7728448630
 Pt        15.3483536333        7.2497151864        6.7518964826
 Pt        18.1454584237        7.2486694964        6.8766977036
 Pt         5.5839886475        9.6638154620        6.8540778999
 Pt         8.3788998897        9.6617796722        6.7831305375
 Pt        11.1558801406        9.6627577550        6.7582750487
 Pt        13.9499617209        9.6647194265        6.8361519591
 Pt        16.7434136198        9.6664922527        6.7847505448
 Pt        19.5421311146        9.6664646005        6.7519345985
 Pt         6.9800298458       12.0818062250        6.7523849143
 Pt         9.7687076434       12.0825141521        6.8387607096
 Pt        12.5568534134       12.0808268159        6.7838352960
 Pt        15.3497182841       12.0828298614        6.7542414023
 Pt        18.1448591378       12.0840419360        6.8790869752
 Pt        20.9373099622       12.0838880383        6.7865917630
  O         1.3710250183        2.3890819480        9.4729415150
  H         1.8836784382        3.1930512587        9.7606242648
  H         1.9157916952        1.6036635399        9.7552931654
  O         2.7119385716        4.8346635827        9.9063035836
  H         2.6640840445        4.8417608683        8.9051236648
  H         3.6985928251        4.8145565267       10.0270731631
  O         5.4857066049        4.8045065569        9.4737596632
  H         5.9872680940        5.6187170388        9.7413980789
  H         6.0427657168        4.0311823144        9.7645431345
  O         6.9201394770        2.4451134493        9.9056278264
  H         6.8986167230        2.4345874547        8.9033237831
  H         7.9032106716        2.4283008834       10.0544182880
  O         5.5196944484       -0.0008062331        9.4778619197
  H         6.0477804889        0.7930193550        9.7618131415
  H         6.0546473118       -0.7915688874        9.7586549608
  O         2.7475966484       -0.0036254763        9.9066707969
  H         2.6914631188       -0.0383378192        8.9066829399
  H         3.7353123203        0.0017174110       10.0221609560
  O         5.5101481562        9.6745447586        9.4788343002
  H         6.0540775774       10.4508058243        9.7778936831
  H         6.0136017710        8.8616272187        9.7444324074
  O         6.9216835509       12.1172160781        9.9016832512
  H         6.9122169324       12.0598816822        8.9002131409
  H         7.9029784181       12.1209310724       10.0602097502
  O         9.7172096013       12.0679377802        9.5600809896
  H        10.2542556724       12.8609917754        9.8296387024
  H        10.2408443423       11.2890842016        9.8534480189
  O        11.2426498117        9.4870100216        9.9119248106
  H        11.1194015263        9.6012018463        8.9145713665
  H        12.2524581667        9.5341686409        9.9721377421
  O        10.0909814902        7.2719329661        9.9311203276
  H         9.8555197777        7.2663172381        8.9287121583
  H        10.6730468016        8.1815774375       10.0340291715
  H        10.6696161125        6.3703833175       10.0371545500
  O         6.8510749860        7.2240883451        9.9238418276
  H         7.1143884784        7.2233033418        8.9550172295
  H         7.7071019701        7.2221036145       10.3993601049
  O         9.7151478182        2.3960716220        9.5584403575
  H        10.2435641251        3.1723704746        9.8458937075
  H        10.2470122371        1.5990028895        9.8327842648
  O        11.2435432451        5.0297295261        9.9141069470
  H        11.1127875289        4.9122827926        8.9201156061
  H        12.2523303760        4.9781559599        9.9666711400
  O        13.8957479933        4.8452749543        9.5659570157
  H        14.4528556824        5.6265207437        9.8284425457
  H        14.3999070589        4.0409610997        9.8592340936
  O        15.2981052008        2.3882303493        9.9017576037
  H        15.2666301264        2.4755121857        8.9030956775
  H        16.2815239311        2.3694133479       10.0394709574
  O        13.9256047466        0.0001268231        9.3991684153
  H        14.4603948371        0.7949966384        9.6834804603
  H        14.4565920210       -0.7950354440        9.6893568830
  O        11.0958811207       -0.0016444261        9.9078396962
  H        11.0461106317        0.0112134807        8.9056300190
  H        12.0796690340       -0.0012467895       10.0300875635
  O        13.8988815620        9.6503345634        9.5609207568
  H        14.4094337691       10.4568629092        9.8429823625
  H        14.4585862913        8.8672940034        9.8215578596
  O        15.2965317503       12.0606810519        9.9093242592
  H        15.2545436128       12.0402505987        8.9082352283
  H        16.2802919295       12.0601193205       10.0410476642
  O        18.1219135066       12.0634521283        9.4734986567
  H        18.6431278304       12.8606922634        9.7608814388
  H        18.6577574137       11.2735815706        9.7590695160
  O        19.5016332299        9.6721671681        9.9000087640
  H        19.4601164024        9.6680746481        8.8975509202
  H        20.4886424451        9.6780716684       10.0250309566
  O        18.1208629692        7.2777824833        9.4752256667
  H        18.6565773303        8.0670780746        9.7620909648
  H        18.6395053622        6.4797349223        9.7674119356
  O        15.3017487809        7.2810811323        9.9081168000
  H        15.2484180963        7.2643667421        8.9065016574
  H        16.2880550865        7.2875944706       10.0285624387
     217
 i =       49, E =    -17723.0234357891
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0102800049        1.6117750335        4.5295303686
 Pt         2.7833780387        1.6182104252        4.5276457720
 Pt         5.5776577723        1.5982400615        4.5261869128
 Pt         8.3833966703        1.6092065850        4.5206770063
 Pt        11.1602582493        1.6159086646        4.5226075062
 Pt        13.9537285738        1.5969931958        4.5319300119
 Pt         1.3924622738        4.0170206382        4.5298256766
 Pt         4.1968531682        4.0301029036        4.5245051547
 Pt         6.9692743273        4.0355221048        4.5278842986
 Pt         9.7625856451        4.0191884098        4.5204992319
 Pt        12.5700202611        4.0248157893        4.5200412645
 Pt        15.3509873318        4.0342560221        4.5188963480
 Pt         2.7819075809        6.4561875169        4.5290100552
 Pt         5.5762658064        6.4364536636        4.5304909842
 Pt         8.3735845735        6.4429129322        4.5095541704
 Pt        11.1651832325        6.4480048376        4.5074205531
 Pt        13.9568458794        6.4385035331        4.5180359097
 Pt        16.7641773150        6.4485531918        4.5279384211
 Pt         4.1964190611        8.8636671833        4.5239095644
 Pt         6.9708664591        8.8700686390        4.5248500501
 Pt         9.7656580217        8.8628454371        4.5086185086
 Pt        12.5700979527        8.8661634542        4.5181855646
 Pt        15.3499111982        8.8730678227        4.5213697205
 Pt        18.1419994739        8.8543380086        4.5287198505
 Pt         5.5765131687       11.2720177235        4.5255495699
 Pt         8.3804377553       11.2825909238        4.5209297670
 Pt        11.1619920756       11.2904441854        4.5215795235
 Pt        13.9561668290       11.2746050643        4.5219646936
 Pt        16.7651735046       11.2846394999        4.5287123610
 Pt        19.5355885395       11.2914883770        4.5275480566
 Pt         6.9673848247       13.7105253658        4.5305731540
 Pt         9.7647369584       13.6909434611        4.5206258171
 Pt        12.5746571393       13.7002199772        4.5253092378
 Pt        15.3500472646       13.7069913265        4.5271658305
 Pt        18.1445048428       13.6871069689        4.5295080910
 Pt        20.9509872454       13.7020670432        4.5324097299
 Pt        -0.0015225800       -0.0065386307        6.7829002005
 Pt         2.7881284859       -0.0086366358        6.7516003426
 Pt         5.5768116237       -0.0053231021        6.8656801876
 Pt         8.3716839380       -0.0024514532        6.7835245758
 Pt        11.1627100918       -0.0004212718        6.7575174546
 Pt        13.9581464566       -0.0031149122        6.8894118501
 Pt         1.3930910250        2.4120435166        6.8779077923
 Pt         4.1837043489        2.4123180202        6.7819250870
 Pt         6.9771993308        2.4139565212        6.7524986574
 Pt         9.7667032809        2.4183366685        6.8393525679
 Pt        12.5570242101        2.4190531696        6.7844800333
 Pt        15.3516150295        2.4182469830        6.7538455122
 Pt         2.7878877415        4.8318278505        6.7560056135
 Pt         5.5766446822        4.8295890306        6.8638586388
 Pt         8.3737480339        4.8380163848        6.7862330124
 Pt        11.1587080542        4.8373471590        6.7557800011
 Pt        13.9535539505        4.8323610865        6.8296791288
 Pt        16.7443085686        4.8336466499        6.7832247446
 Pt         4.1875067861        7.2483501313        6.7866414536
 Pt         6.9888962251        7.2454141997        6.7646106508
 Pt         9.7640698570        7.2484650585        6.7932619365
 Pt        12.5507837130        7.2473833929        6.7723322617
 Pt        15.3481612782        7.2495384857        6.7518437877
 Pt        18.1453125343        7.2479853423        6.8768838493
 Pt         5.5836865828        9.6635601445        6.8538587938
 Pt         8.3790023087        9.6614337932        6.7833143955
 Pt        11.1556331612        9.6625033890        6.7583018189
 Pt        13.9499539979        9.6645458240        6.8355559577
 Pt        16.7432372978        9.6662304856        6.7839526440
 Pt        19.5418619453        9.6663324378        6.7520556755
 Pt         6.9800968668       12.0814196292        6.7529948553
 Pt         9.7684888486       12.0819329894        6.8384336405
 Pt        12.5567207941       12.0804676641        6.7833542787
 Pt        15.3496546863       12.0827474964        6.7545325183
 Pt        18.1448576393       12.0839879345        6.8787545827
 Pt        20.9374124750       12.0838542867        6.7859495519
  O         1.3722289880        2.3885842874        9.4735293304
  H         1.8862633553        3.1914731962        9.7608167797
  H         1.9176697169        1.6029375098        9.7550551002
  O         2.7122298904        4.8344466093        9.9062800008
  H         2.6623682399        4.8406707664        8.9051258316
  H         3.6991658064        4.8151879499       10.0255383302
  O         5.4857612153        4.8071367854        9.4747541648
  H         5.9888057339        5.6205776914        9.7448388993
  H         6.0421642247        4.0339133338        9.7649558343
  O         6.9204169085        2.4449383686        9.9058742221
  H         6.8992828017        2.4344347450        8.9034633099
  H         7.9034698332        2.4287389460       10.0552169200
  O         5.5206036513       -0.0006479782        9.4775901089
  H         6.0487982702        0.7933364899        9.7616016047
  H         6.0552627941       -0.7911863639        9.7591687155
  O         2.7490954854       -0.0039489453        9.9071583553
  H         2.6918817332       -0.0404025274        8.9071946562
  H         3.7368713986        0.0018838059       10.0223598242
  O         5.5111298662        9.6744308838        9.4784288290
  H         6.0546620620       10.4507844812        9.7779174522
  H         6.0138840295        8.8613440125        9.7454351579
  O         6.9222057291       12.1172060310        9.9029067875
  H         6.9114064761       12.0610897346        8.9014058749
  H         7.9036620818       12.1216560605       10.0602759792
  O         9.7181075072       12.0687343197        9.5605953451
  H        10.2554369756       12.8619232103        9.8304410220
  H        10.2410308549       11.2893713351        9.8539839630
  O        11.2497068245        9.4884954019        9.9117442363
  H        11.1222434429        9.6013619486        8.9148937975
  H        12.2596169112        9.5365157538        9.9698745276
  O        10.0942966962        7.2723927148        9.9328054566
  H         9.8605889800        7.2664737726        8.9302403554
  H        10.6780309466        8.1805878765       10.0349709525
  H        10.6717981347        6.3697475502       10.0379690637
  O         6.8523663271        7.2244127789        9.9245991090
  H         7.1169017281        7.2229154680        8.9561655816
  H         7.7080166975        7.2208177166       10.4000980030
  O         9.7155561566        2.3953287805        9.5580784871
  H        10.2443914717        3.1725620298        9.8456323489
  H        10.2475666589        1.5990207164        9.8321985717
  O        11.2433080333        5.0286770699        9.9138729176
  H        11.1140579730        4.9126626591        8.9192300704
  H        12.2517290309        4.9775341137        9.9687361844
  O        13.8973545367        4.8451538377        9.5656892068
  H        14.4537022082        5.6266993525        9.8289373407
  H        14.4014155497        4.0411195901        9.8606273945
  O        15.2986470812        2.3884268096        9.9033064682
  H        15.2663418070        2.4742681351        8.9045722719
  H        16.2819155153        2.3693272070       10.0413227347
  O        13.9237046766       -0.0000287550        9.4003328391
  H        14.4578558030        0.7948276882        9.6857456410
  H        14.4541228622       -0.7953876028        9.6911573696
  O        11.0960228325       -0.0015230332        9.9077424300
  H        11.0467904211        0.0118522359        8.9055105628
  H        12.0798511759       -0.0017284778       10.0304278059
  O        13.9000214145        9.6508915393        9.5606044078
  H        14.4104036774       10.4571282205        9.8428384440
  H        14.4592979767        8.8679281909        9.8222888642
  O        15.2964573535       12.0609901855        9.9095674442
  H        15.2541149240       12.0405146649        8.9083044175
  H        16.2798995731       12.0612782974       10.0421609536
  O        18.1219206238       12.0629587058        9.4734083123
  H        18.6420824397       12.8606098822        9.7611182017
  H        18.6583141323       11.2737622541        9.7599252786
  O        19.5016295748        9.6721795694        9.8996667916
  H        19.4609822373        9.6685950292        8.8970432725
  H        20.4884373876        9.6781541052       10.0258238900
  O        18.1203523063        7.2775910381        9.4746920975
  H        18.6565397850        8.0662538908        9.7622899415
  H        18.6381257072        6.4791352184        9.7671989234
  O        15.3019028348        7.2810139829        9.9084892115
  H        15.2486380085        7.2641909651        8.9066349653
  H        16.2876990323        7.2863628592       10.0299415491
     217
 i =       50, E =    -17723.0234520937
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0100633204        1.6113623246        4.5298769619
 Pt         2.7831503354        1.6175123621        4.5274141532
 Pt         5.5779031741        1.5976736076        4.5261451733
 Pt         8.3830187992        1.6088704754        4.5204771530
 Pt        11.1602730121        1.6157812985        4.5223596828
 Pt        13.9541276040        1.5968174686        4.5320857113
 Pt         1.3922850285        4.0166288413        4.5295640795
 Pt         4.1965796988        4.0299494897        4.5242971793
 Pt         6.9688180135        4.0354802807        4.5278853657
 Pt         9.7619836889        4.0188560415        4.5201719249
 Pt        12.5694596834        4.0247572603        4.5196616329
 Pt        15.3504342343        4.0336000087        4.5190158129
 Pt         2.7813342791        6.4560704685        4.5292622503
 Pt         5.5761020080        6.4364577314        4.5298203152
 Pt         8.3731841974        6.4427963884        4.5096048115
 Pt        11.1644112394        6.4479345238        4.5071562809
 Pt        13.9562803828        6.4380071767        4.5177369094
 Pt        16.7638285412        6.4484083178        4.5279420386
 Pt         4.1960994468        8.8639477764        4.5236802280
 Pt         6.9705157317        8.8701128219        4.5248551581
 Pt         9.7651249933        8.8624159591        4.5085329772
 Pt        12.5698874776        8.8661754085        4.5178823137
 Pt        15.3496794284        8.8725421018        4.5209617051
 Pt        18.1419026337        8.8540349946        4.5286202011
 Pt         5.5770350368       11.2721615296        4.5254868941
 Pt         8.3806143156       11.2822665031        4.5215046800
 Pt        11.1618268806       11.2900740586        4.5211251312
 Pt        13.9562056489       11.2743671763        4.5217732464
 Pt        16.7650930249       11.2846630978        4.5288795691
 Pt        19.5355255359       11.2914720182        4.5275983444
 Pt         6.9675426723       13.7099087393        4.5308522305
 Pt         9.7650542765       13.6905471292        4.5206886932
 Pt        12.5749418965       13.7000365795        4.5256317586
 Pt        15.3498811672       13.7065308579        4.5271340746
 Pt        18.1448604710       13.6870635581        4.5297509109
 Pt        20.9511702786       13.7022775870        4.5318767501
 Pt        -0.0012934252       -0.0072789467        6.7822613940
 Pt         2.7882636054       -0.0094947876        6.7524270608
 Pt         5.5763867538       -0.0058000650        6.8664460944
 Pt         8.3714711669       -0.0028533861        6.7827519394
 Pt        11.1630814453       -0.0004329339        6.7578232520
 Pt        13.9582939837       -0.0031828587        6.8879425173
 Pt         1.3933606999        2.4111755682        6.8775645393
 Pt         4.1836486264        2.4118270936        6.7805754753
 Pt         6.9766511325        2.4142653833        6.7525863716
 Pt         9.7660345273        2.4181010412        6.8382692320
 Pt        12.5570975558        2.4187086628        6.7833457112
 Pt        15.3519630884        2.4178628134        6.7553889444
 Pt         2.7874925476        4.8309522485        6.7562498915
 Pt         5.5763333600        4.8300863917        6.8626479519
 Pt         8.3733311340        4.8379432141        6.7856996157
 Pt        11.1583281789        4.8369868620        6.7556553994
 Pt        13.9531560001        4.8318348683        6.8292688444
 Pt        16.7436869385        4.8329787586        6.7822229919
 Pt         4.1871233498        7.2477840929        6.7853357511
 Pt         6.9886194674        7.2452941882        6.7647051010
 Pt         9.7642833785        7.2480849249        6.7933629553
 Pt        12.5503582771        7.2471336328        6.7713765298
 Pt        15.3476486736        7.2490821250        6.7517920368
 Pt        18.1449790367        7.2467040904        6.8772817118
 Pt         5.5831545525        9.6629792604        6.8535052562
 Pt         8.3790027332        9.6605916737        6.7837989353
 Pt        11.1552316635        9.6619686647        6.7581919774
 Pt        13.9498803420        9.6641604416        6.8342813790
 Pt        16.7429754254        9.6656180057        6.7824914562
 Pt        19.5412663828        9.6659411036        6.7522651913
 Pt         6.9801238172       12.0806233724        6.7543665185
 Pt         9.7681720625       12.0807737697        6.8380213601
 Pt        12.5564072729       12.0796689239        6.7824734073
 Pt        15.3494648919       12.0825983265        6.7551229191
 Pt        18.1448903034       12.0837882836        6.8782878264
 Pt        20.9376779981       12.0838183415        6.7847544967
  O         1.3748265451        2.3870847562        9.4746669349
  H         1.8919090824        3.1887024517        9.7613624448
  H         1.9211598459        1.6015474008        9.7543438813
  O         2.7126880797        4.8340183848        9.9061411957
  H         2.6587331857        4.8382147570        8.9054377695
  H         3.7004766391        4.8168196186       10.0221402333
  O         5.4861431671        4.8156930630        9.4770994998
  H         5.9913247379        5.6239476181        9.7518117935
  H         6.0412951387        4.0389648651        9.7661066992
  O         6.9211151648        2.4447772691        9.9063383172
  H         6.9008104366        2.4342312719        8.9041530929
  H         7.9038066047        2.4295573316       10.0569195240
  O         5.5225816700        0.0001737549        9.4772875871
  H         6.0509418166        0.7939218036        9.7610237885
  H         6.0567605019       -0.7906223998        9.7602832325
  O         2.7517071024       -0.0043735851        9.9080999496
  H         2.6932376248       -0.0449192325        8.9086262864
  H         3.7402650279        0.0022254920       10.0226143840
  O         5.5125977711        9.6739479555        9.4781883906
  H         6.0560589439       10.4505887985        9.7778936196
  H         6.0144544907        8.8612526867        9.7475395499
  O         6.9228396556       12.1173623638        9.9055159227
  H         6.9095683623       12.0640503829        8.9041972954
  H         7.9052551063       12.1233093449       10.0604878085
  O         9.7199051096       12.0706134650        9.5616474022
  H        10.2577503313       12.8631587338        9.8322090366
  H        10.2418255475       11.2904111285        9.8551559561
  O        11.2660266448        9.4901109864        9.9114746305
  H        11.1294074830        9.6019851031        8.9160665716
  H        12.2763764063        9.5416578284        9.9642278336
  O        10.1011151482        7.2734279203        9.9358895240
  H         9.8714505442        7.2673144881        8.9330374684
  H        10.6890100898        8.1785499848       10.0374783344
  H        10.6760335045        6.3682645226       10.0403191856
  O         6.8546105955        7.2246970749        9.9257244171
  H         7.1220560286        7.2221814671        8.9583606177
  H         7.7107803973        7.2181109794       10.4021798990
  O         9.7167741977        2.3964452729        9.5577406281
  H        10.2451078275        3.1713615175        9.8443641293
  H        10.2493201592        1.5981333985        9.8312091553
  O        11.2423308638        5.0277557598        9.9133983293
  H        11.1168536207        4.9134759903        8.9177412281
  H        12.2502824477        4.9758597499        9.9730995324
  O        13.9004360282        4.8446047427        9.5656109918
  H        14.4555165751        5.6270484941        9.8299255763
  H        14.4046068077        4.0418870982        9.8634213474
  O        15.2991422985        2.3886091727        9.9068746718
  H        15.2659393929        2.4712922936        8.9081126899
  H        16.2827601924        2.3692506659       10.0453295596
  O        13.9202696509       -0.0004564923        9.4026082522
  H        14.4520795659        0.7941336323        9.6907289990
  H        14.4484466784       -0.7957531894        9.6951189608
  O        11.0961538892       -0.0014024342        9.9075882120
  H        11.0483728452        0.0132909570        8.9053438169
  H        12.0800796046       -0.0028273815       10.0312598734
  O        13.9033258356        9.6520324889        9.5600481168
  H        14.4130173511       10.4585429477        9.8427566295
  H        14.4609302042        8.8691364008        9.8238935443
  O        15.2956215610       12.0615559118        9.9099178523
  H        15.2535495526       12.0411437868        8.9089272948
  H        16.2793311403       12.0637205699       10.0443671361
  O        18.1219410044       12.0620188390        9.4734543579
  H        18.6398372311       12.8605616044        9.7615233910
  H        18.6595682112       11.2739111595        9.7618186967
  O        19.5017372094        9.6721841919        9.8990463891
  H        19.4629411416        9.6697395743        8.8962924115
  H        20.4879900506        9.6783333331       10.0275281506
  O        18.1193898976        7.2770494366        9.4739936380
  H        18.6565591311        8.0646923883        9.7627221628
  H        18.6351024273        6.4777591618        9.7666194689
  O        15.3011009693        7.2808683001        9.9088686102
  H        15.2494641570        7.2638259006        8.9074913362
  H        16.2876378602        7.2837058535       10.0328512437
     217
 i =       51, E =    -17723.0234961378
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0101545539        1.6113972934        4.5296854029
 Pt         2.7832871482        1.6176632141        4.5273775621
 Pt         5.5778082580        1.5980027638        4.5260954548
 Pt         8.3829889706        1.6088948529        4.5204584861
 Pt        11.1602606956        1.6156721978        4.5222852093
 Pt        13.9541451846        1.5970156434        4.5317333883
 Pt         1.3922649130        4.0167707908        4.5295940890
 Pt         4.1964691837        4.0298808500        4.5242984966
 Pt         6.9688766500        4.0352888031        4.5275497313
 Pt         9.7622777496        4.0190211097        4.5201701242
 Pt        12.5694493123        4.0247047769        4.5197081609
 Pt        15.3507296906        4.0335839772        4.5189089611
 Pt         2.7815512642        6.4558937400        4.5289535860
 Pt         5.5760962626        6.4367336754        4.5297818622
 Pt         8.3731183294        6.4428829156        4.5093868798
 Pt        11.1646344846        6.4477638239        4.5070373182
 Pt        13.9565034988        6.4381395007        4.5177212465
 Pt        16.7637204595        6.4481925600        4.5277477832
 Pt         4.1961445994        8.8639216066        4.5236997043
 Pt         6.9705783411        8.8699850126        4.5248414007
 Pt         9.7653969928        8.8626872822        4.5084066120
 Pt        12.5696564221        8.8661808011        4.5178350228
 Pt        15.3498195306        8.8725863458        4.5208109910
 Pt        18.1419593861        8.8543333091        4.5285678129
 Pt         5.5768992833       11.2721945850        4.5254970032
 Pt         8.3803903369       11.2823799358        4.5210695914
 Pt        11.1619711044       11.2899389630        4.5211783127
 Pt        13.9562353579       11.2745268144        4.5216343334
 Pt        16.7650655362       11.2846127177        4.5285836963
 Pt        19.5356706242       11.2914076748        4.5274231919
 Pt         6.9678265570       13.7098803937        4.5305733505
 Pt         9.7649463120       13.6908108876        4.5206864253
 Pt        12.5747510717       13.7000126882        4.5253768212
 Pt        15.3500797256       13.7065191740        4.5272027223
 Pt        18.1447448092       13.6871747342        4.5294875093
 Pt        20.9508912637       13.7020672101        4.5319112708
 Pt        -0.0013110012       -0.0072266696        6.7827526086
 Pt         2.7880774193       -0.0094541589        6.7522484777
 Pt         5.5766940688       -0.0057569844        6.8661784900
 Pt         8.3713926720       -0.0027528811        6.7830716722
 Pt        11.1630547780       -0.0004804123        6.7576128170
 Pt        13.9583020114       -0.0032793259        6.8880820322
 Pt         1.3932723330        2.4112920717        6.8776018791
 Pt         4.1837242339        2.4120134350        6.7811253327
 Pt         6.9766991831        2.4140266556        6.7526681469
 Pt         9.7661913418        2.4181241003        6.8384853038
 Pt        12.5570041290        2.4188221732        6.7836371054
 Pt        15.3518731342        2.4179371111        6.7551487097
 Pt         2.7875983873        4.8310344946        6.7562218001
 Pt         5.5764312675        4.8300394758        6.8630469891
 Pt         8.3735061128        4.8379598501        6.7858426121
 Pt        11.1583211598        4.8369636646        6.7558374953
 Pt        13.9532498614        4.8319375121        6.8295708922
 Pt        16.7438057063        4.8329598923        6.7826644907
 Pt         4.1871135911        7.2479131891        6.7856598875
 Pt         6.9887505207        7.2454447682        6.7646049339
 Pt         9.7641017604        7.2481164144        6.7935380276
 Pt        12.5505613500        7.2471953322        6.7716092770
 Pt        15.3476682354        7.2490634954        6.7518113622
 Pt        18.1449520928        7.2470925274        6.8769550156
 Pt         5.5833406479        9.6630259218        6.8536434750
 Pt         8.3787824714        9.6606778552        6.7837557747
 Pt        11.1554148349        9.6620622611        6.7581589404
 Pt        13.9498607983        9.6642154332        6.8343577839
 Pt        16.7431375589        9.6656641856        6.7829988550
 Pt        19.5413463602        9.6659050788        6.7522895427
 Pt         6.9800416114       12.0808062337        6.7542278106
 Pt         9.7682937604       12.0809265413        6.8382707718
 Pt        12.5564282901       12.0797863923        6.7827105085
 Pt        15.3494642088       12.0825992606        6.7549943041
 Pt        18.1449203100       12.0836989601        6.8784494868
 Pt        20.9376668770       12.0838446398        6.7851929204
  O         1.3743106358        2.3879396791        9.4742717891
  H         1.8908477110        3.1893810384        9.7612908207
  H         1.9200395189        1.6016965328        9.7543021424
  O         2.7126476959        4.8340775353        9.9062718411
  H         2.6592189478        4.8384244453        8.9055591435
  H         3.7002742031        4.8170327193       10.0225425279
  O         5.4858964211        4.8145154116        9.4768997484
  H         5.9911819806        5.6245423812        9.7508281269
  H         6.0409112177        4.0388900745        9.7657013537
  O         6.9209052604        2.4450281523        9.9064089880
  H         6.9006293688        2.4344689172        8.9042870229
  H         7.9036746442        2.4293719336       10.0567873197
  O         5.5223400200       -0.0000012634        9.4774718307
  H         6.0507008987        0.7939820052        9.7610972558
  H         6.0565031083       -0.7907053450        9.7600265356
  O         2.7512070622       -0.0040527462        9.9079767564
  H         2.6934502788       -0.0443669104        8.9084539798
  H         3.7394533064        0.0021959710       10.0224775959
  O         5.5118635029        9.6741852634        9.4786292958
  H         6.0557784198       10.4504225332        9.7777460485
  H         6.0143655628        8.8614629701        9.7472351043
  O         6.9225896640       12.1174522260        9.9052572158
  H         6.9095949618       12.0641525127        8.9038840441
  H         7.9046893103       12.1232819679       10.0605800397
  O         9.7196251586       12.0698784957        9.5611459892
  H        10.2571078193       12.8625771893        9.8321448657
  H        10.2421569018       11.2905246089        9.8549767003
  O        11.2642775736        9.4879089125        9.9115686489
  H        11.1296967264        9.6022275697        8.9165292685
  H        12.2760616720        9.5406278833        9.9641434114
  O        10.0997185318        7.2734602064        9.9350798823
  H         9.8698486503        7.2679702221        8.9318263095
  H        10.6875396177        8.1787623311       10.0375955032
  H        10.6743401069        6.3684655200       10.0405230539
  O         6.8547050858        7.2244857553        9.9256771888
  H         7.1211470348        7.2223755860        8.9576777416
  H         7.7101620183        7.2185900242       10.4017759053
  O         9.7163370288        2.3951430099        9.5575740708
  H        10.2453662149        3.1722043477        9.8446294455
  H        10.2486977279        1.5986231708        9.8312186767
  O        11.2423464884        5.0290147594        9.9136348231
  H        11.1162284237        4.9134843870        8.9185909645
  H        12.2499873005        4.9757921394        9.9725823942
  O        13.8995608960        4.8447428245        9.5661545886
  H        14.4549781587        5.6269042224        9.8296220136
  H        14.4042013240        4.0419132957        9.8628630006
  O        15.2988564944        2.3884256848        9.9066094562
  H        15.2660621646        2.4712874729        8.9078701438
  H        16.2822609503        2.3693148559       10.0449501105
  O        13.9213028767       -0.0003891539        9.4015419588
  H        14.4526992619        0.7940995929        9.6900946668
  H        14.4490628423       -0.7955975134        9.6946836110
  O        11.0958473669       -0.0014891995        9.9076390296
  H        11.0481902568        0.0131455576        8.9053293984
  H        12.0797608454       -0.0027403895       10.0313583239
  O        13.9039322232        9.6524851633        9.5602729223
  H        14.4134099188       10.4590026668        9.8430427581
  H        14.4609808077        8.8687604441        9.8238491611
  O        15.2957615295       12.0613840471        9.9100336959
  H        15.2539139548       12.0411300360        8.9088948434
  H        16.2792435560       12.0632338262       10.0438860757
  O        18.1220252348       12.0620785519        9.4735557253
  H        18.6402153421       12.8606397091        9.7613614785
  H        18.6594123846       11.2736857899        9.7616347480
  O        19.5017967849        9.6721744016        9.8994044793
  H        19.4627068960        9.6695941556        8.8967503987
  H        20.4882042334        9.6782927195       10.0273543053
  O        18.1196442359        7.2772972766        9.4743607296
  H        18.6567470828        8.0651340012        9.7627483328
  H        18.6355973603        6.4778622514        9.7666447064
  O        15.3014084997        7.2808585069        9.9089896650
  H        15.2496169098        7.2638791343        8.9073790573
  H        16.2874290605        7.2841183842       10.0323126894
     217
 i =       52, E =    -17723.0235398794
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0102686060        1.6113120024        4.5294498768
 Pt         2.7834760952        1.6177256679        4.5272558727
 Pt         5.5776840604        1.5984325669        4.5259926536
 Pt         8.3828107677        1.6088389741        4.5203681843
 Pt        11.1602397599        1.6154233330        4.5220640115
 Pt        13.9542971808        1.5973134510        4.5311119519
 Pt         1.3921584030        4.0168939733        4.5295808969
 Pt         4.1961722642        4.0296974558        4.5242385740
 Pt         6.9688355348        4.0349169587        4.5269227919
 Pt         9.7626365531        4.0192220109        4.5200711846
 Pt        12.5692712531        4.0245824080        4.5196982552
 Pt        15.3511066802        4.0333353213        4.5187574048
 Pt         2.7817712059        6.4555148579        4.5284373490
 Pt         5.5760192921        6.4372434851        4.5295077549
 Pt         8.3728663815        6.4430040752        4.5089930248
 Pt        11.1648017808        6.4474102878        4.5067648436
 Pt        13.9567440408        6.4382134906        4.5176004388
 Pt        16.7634089235        6.4477151529        4.5273894727
 Pt         4.1961267738        8.8639546664        4.5236715882
 Pt         6.9705875178        8.8697671636        4.5248110639
 Pt         9.7657278283        8.8630476745        4.5081648284
 Pt        12.5691559048        8.8661694033        4.5176423762
 Pt        15.3500123743        8.8724933023        4.5203999141
 Pt        18.1420261698        8.8547774531        4.5284257126
 Pt         5.5767956113       11.2722909562        4.5255090547
 Pt         8.3800202298       11.2824807481        4.5204367783
 Pt        11.1621785657       11.2895748336        4.5211475502
 Pt        13.9562984430       11.2747476445        4.5213026327
 Pt        16.7649948941       11.2845092742        4.5280815997
 Pt        19.5359205209       11.2912758911        4.5271143129
 Pt         6.9684101856       13.7096337789        4.5301321862
 Pt         9.7648344684       13.6911593505        4.5207126843
 Pt        12.5744761297       13.6999017120        4.5250001231
 Pt        15.3503930552       13.7063608529        4.5273243187
 Pt        18.1446099395       13.6873540864        4.5290661784
 Pt        20.9504374941       13.7017211315        4.5318056644
 Pt        -0.0012886315       -0.0073909019        6.7835293136
 Pt         2.7877623051       -0.0096746971        6.7521505849
 Pt         5.5771421569       -0.0058510482        6.8658798126
 Pt         8.3711800256       -0.0027037402        6.7834618491
 Pt        11.1631004306       -0.0005962473        6.7572744685
 Pt        13.9583804069       -0.0035040116        6.8878368934
 Pt         1.3931771324        2.4112000210        6.8775760425
 Pt         4.1838457619        2.4121908925        6.7817782164
 Pt         6.9766101870        2.4136576942        6.7528343139
 Pt         9.7662662704        2.4180722828        6.8385507656
 Pt        12.5568451997        2.4189111404        6.7838348254
 Pt        15.3517891176        2.4179231172        6.7551634547
 Pt         2.7876576638        4.8309007917        6.7562203499
 Pt         5.5765149067        4.8301065973        6.8633889129
 Pt         8.3736817854        4.8379472514        6.7859297495
 Pt        11.1581812659        4.8367921326        6.7561570114
 Pt        13.9532943332        4.8319416158        6.8300221555
 Pt        16.7438265056        4.8326775892        6.7832310391
 Pt         4.1869429447        7.2479646192        6.7858627279
 Pt         6.9888962303        7.2456672494        6.7644589626
 Pt         9.7638120603        7.2480393310        6.7939234714
 Pt        12.5508051387        7.2471989176        6.7717495461
 Pt        15.3475387249        7.2488567658        6.7518274726
 Pt        18.1447603064        7.2474084078        6.8764081933
 Pt         5.5835136305        9.6629148474        6.8537984725
 Pt         8.3783428006        9.6605756895        6.7838229175
 Pt        11.1556231598        9.6620488846        6.7580379057
 Pt        13.9498124708        9.6641799484        6.8340186746
 Pt        16.7433492306        9.6655450026        6.7835183760
 Pt        19.5413141368        9.6656998126        6.7523836978
 Pt         6.9798889250       12.0808871762        6.7543865740
 Pt         9.7684153206       12.0808045738        6.8386078524
 Pt        12.5563749577       12.0797444178        6.7828959892
 Pt        15.3494072764       12.0825097974        6.7549267677
 Pt        18.1449784760       12.0834415103        6.8785906817
 Pt        20.9377139534       12.0838543968        6.7856735770
  O         1.3741971300        2.3888275960        9.4738276961
  H         1.8907952770        3.1898160395        9.7613746752
  H         1.9190054477        1.6015068170        9.7538996552
  O         2.7126284285        4.8340678239        9.9064650288
  H         2.6588160868        4.8379674591        8.9058874163
  H         3.7004031127        4.8180841105       10.0220653579
  O         5.4854061148        4.8163543563        9.4772910028
  H         5.9913112386        5.6264649493        9.7510652088
  H         6.0399623124        4.0401602722        9.7654199776
  O         6.9208255417        2.4454527740        9.9068097277
  H         6.9008028696        2.4349226788        8.9047114407
  H         7.9034244159        2.4292783227       10.0571232313
  O         5.5225088862       -0.0000881491        9.4777075975
  H         6.0509942344        0.7943318869        9.7610453987
  H         6.0565240938       -0.7906616899        9.7599081639
  O         2.7510146927       -0.0035911115        9.9080378740
  H         2.6943373636       -0.0449028811        8.9085532825
  H         3.7391115373        0.0022756696       10.0223047098
  O         5.5109608493        9.6744018471        9.4794257229
  H         6.0557101290       10.4500414823        9.7774537088
  H         6.0143371070        8.8618952574        9.7472954407
  O         6.9221971886       12.1176762298        9.9056375815
  H         6.9090019620       12.0653839958        8.9042189559
  H         7.9041773294       12.1238192313       10.0608594874
  O         9.7196779867       12.0692223533        9.5604913210
  H        10.2565654838       12.8617692249        9.8326268512
  H        10.2431651772       11.2909381362        9.8550799373
  O        11.2684741193        9.4841437975        9.9119474876
  H        11.1329195521        9.6029253530        8.9177204793
  H        12.2806883533        9.5402308188        9.9618976359
  O        10.0993131379        7.2738851140        9.9343453304
  H         9.8706275788        7.2696232773        8.9306003039
  H        10.6886991417        8.1784801557       10.0386914161
  H        10.6725303510        6.3684505871       10.0417551642
  O         6.8551340889        7.2241611417        9.9254571909
  H         7.1212140223        7.2224715931        8.9573352993
  H         7.7103074602        7.2185830346       10.4021000624
  O         9.7161347787        2.3941888154        9.5572667450
  H        10.2456312473        3.1727321037        9.8444077045
  H        10.2483251934        1.5988763881        9.8310223967
  O        11.2418877302        5.0310161086        9.9141269520
  H        11.1160704345        4.9138234662        8.9196674939
  H        12.2493204196        4.9750636967        9.9731001626
  O        13.8987592918        4.8446793205        9.5672414123
  H        14.4546253238        5.6268862425        9.8293997494
  H        14.4045309682        4.0422597847        9.8627092663
  O        15.2984030147        2.3881437449        9.9073427355
  H        15.2661951894        2.4702293806        8.9086126753
  H        16.2816157934        2.3693689240       10.0456488574
  O        13.9218088335       -0.0005030142        9.4001318193
  H        14.4521372377        0.7940071534        9.6907067588
  H        14.4484707510       -0.7955483824        9.6953062196
  O        11.0953240397       -0.0016433387        9.9075903578
  H        11.0483525718        0.0133336114        8.9053130483
  H        12.0791883521       -0.0029600392       10.0318272345
  O        13.9063809314        9.6537577728        9.5605041292
  H        14.4153854282       10.4606096633        9.8436849169
  H        14.4617285322        8.8685322407        9.8243318591
  O        15.2955888271       12.0612431074        9.9102506251
  H        15.2544610082       12.0413545078        8.9091039727
  H        16.2790696467       12.0630993854       10.0437199445
  O        18.1222181371       12.0619141042        9.4737741936
  H        18.6401993541       12.8607757648        9.7611687535
  H        18.6594976158       11.2733339826        9.7618941035
  O        19.5019591754        9.6721591142        9.8999397841
  H        19.4629417436        9.6697047534        8.8973651687
  H        20.4884785623        9.6782678312       10.0276117727
  O        18.1198330461        7.2776111555        9.4748382228
  H        18.6571163858        8.0654268045        9.7629155588
  H        18.6355720482        6.4775792490        9.7665028673
  O        15.3013750019        7.2808102183        9.9091810072
  H        15.2502326135        7.2638650739        8.9075566454
  H        16.2873169128        7.2840397052       10.0323117077
     217
 i =       53, E =    -17723.0235754736
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0104440611        1.6111607160        4.5293070278
 Pt         2.7836975912        1.6178179479        4.5272683056
 Pt         5.5774481382        1.5987980908        4.5259197942
 Pt         8.3826451581        1.6088205636        4.5203385730
 Pt        11.1602010536        1.6151668430        4.5218381782
 Pt        13.9544399569        1.5974964846        4.5304905839
 Pt         1.3920213377        4.0169271066        4.5296425531
 Pt         4.1959082048        4.0295303510        4.5242317693
 Pt         6.9687788387        4.0345913828        4.5263756441
 Pt         9.7629603743        4.0193943110        4.5200024135
 Pt        12.5692318197        4.0244496388        4.5198125006
 Pt        15.3514440058        4.0330590114        4.5186839918
 Pt         2.7819508382        6.4551216999        4.5278614720
 Pt         5.5758844478        6.4376719353        4.5293011128
 Pt         8.3726430796        6.4431031115        4.5086116736
 Pt        11.1649486069        6.4470437117        4.5066867606
 Pt        13.9569720663        6.4381960491        4.5175201380
 Pt        16.7631479602        6.4471595661        4.5270719989
 Pt         4.1960995702        8.8639853325        4.5236954346
 Pt         6.9706265108        8.8696358760        4.5247329663
 Pt         9.7659647361        8.8633332709        4.5080433570
 Pt        12.5687209876        8.8660194440        4.5174012073
 Pt        15.3502218919        8.8723653845        4.5200104496
 Pt        18.1420737878        8.8550954863        4.5282202116
 Pt         5.5766419729       11.2723367990        4.5255979722
 Pt         8.3796511389       11.2825533069        4.5198813734
 Pt        11.1622994938       11.2893188522        4.5211725865
 Pt        13.9563601923       11.2749513371        4.5209373216
 Pt        16.7649772865       11.2843588259        4.5276135994
 Pt        19.5361521520       11.2911355526        4.5268722117
 Pt         6.9689601777       13.7094314174        4.5297015747
 Pt         9.7647133669       13.6913847459        4.5207940495
 Pt        12.5741782740       13.6998015300        4.5246419249
 Pt        15.3506512377       13.7062741133        4.5274378291
 Pt        18.1443379099       13.6874316291        4.5286620377
 Pt        20.9500901345       13.7013064277        4.5316776075
 Pt        -0.0013351578       -0.0076495509        6.7845631526
 Pt         2.7874593058       -0.0099647718        6.7519335435
 Pt         5.5775965334       -0.0060259185        6.8653748652
 Pt         8.3710271993       -0.0027168543        6.7839917463
 Pt        11.1630476435       -0.0008043709        6.7567285479
 Pt        13.9585518255       -0.0037934154        6.8873949728
 Pt         1.3930350907        2.4109905979        6.8776091527
 Pt         4.1839744775        2.4123092042        6.7826764525
 Pt         6.9765223666        2.4132509195        6.7529977749
 Pt         9.7663181484        2.4179304250        6.8385997007
 Pt        12.5566819561        2.4189399203        6.7840406131
 Pt        15.3516013660        2.4177689943        6.7550911028
 Pt         2.7876741448        4.8307724714        6.7561173885
 Pt         5.5766450726        4.8302290840        6.8636335252
 Pt         8.3737722485        4.8378664137        6.7859041348
 Pt        11.1580467423        4.8366005725        6.7565568575
 Pt        13.9533074888        4.8318593056        6.8305360475
 Pt        16.7438506756        4.8322814348        6.7840257707
 Pt         4.1866546674        7.2479839329        6.7860778448
 Pt         6.9889998191        7.2457974096        6.7642316580
 Pt         9.7635055891        7.2479419000        6.7942444916
 Pt        12.5510301801        7.2470589994        6.7718828249
 Pt        15.3474300345        7.2485590554        6.7517564583
 Pt        18.1444336146        7.2477076621        6.8755122259
 Pt         5.5836364203        9.6627719052        6.8539718395
 Pt         8.3778322091        9.6605294372        6.7838163608
 Pt        11.1557577787        9.6619611209        6.7579192653
 Pt        13.9498767765        9.6641025342        6.8333767373
 Pt        16.7435064373        9.6653948478        6.7841327529
 Pt        19.5413457096        9.6654616394        6.7524389418
 Pt         6.9797288846       12.0809352417        6.7544827782
 Pt         9.7685065505       12.0805231910        6.8389092594
 Pt        12.5563701771       12.0796995191        6.7831217791
 Pt        15.3494058963       12.0822238561        6.7547505486
 Pt        18.1450286518       12.0830736846        6.8786612758
 Pt        20.9377030952       12.0837205747        6.7863236589
  O         1.3740565279        2.3894095106        9.4732621293
  H         1.8910152828        3.1903345866        9.7615657442
  H         1.9174724610        1.6013784889        9.7530691610
  O         2.7126259122        4.8341014111        9.9067774956
  H         2.6578701065        4.8371665006        8.9062202535
  H         3.7006121843        4.8199178378       10.0210753543
  O         5.4841554717        4.8193823539        9.4776939686
  H         5.9913535020        5.6297812986        9.7515235826
  H         6.0378942447        4.0428865709        9.7649115418
  O         6.9204502047        2.4460292351        9.9073393937
  H         6.9010981696        2.4357477855        8.9052986878
  H         7.9032228500        2.4291751928       10.0578091675
  O         5.5227626014        0.0003395968        9.4779817462
  H         6.0513446476        0.7945481560        9.7608621315
  H         6.0567735683       -0.7906993386        9.7598645384
  O         2.7507785523       -0.0031769614        9.9080489945
  H         2.6955669195       -0.0459640684        8.9085601595
  H         3.7388279878        0.0025125276       10.0222591544
  O         5.5099676858        9.6743544044        9.4802690533
  H         6.0557175409       10.4497985005        9.7771133111
  H         6.0141717778        8.8624821955        9.7473255762
  O         6.9216185755       12.1180286746        9.9062657221
  H         6.9080312803       12.0673570880        8.9047447235
  H         7.9034091469       12.1246538503       10.0613217077
  O         9.7198608861       12.0680861387        9.5598759472
  H        10.2558048493       12.8608484713        9.8333818809
  H        10.2446349536       11.2913946764        9.8552423733
  O        11.2764844773        9.4793044376        9.9122857826
  H        11.1384078141        9.6036968140        8.9198091546
  H        12.2889392480        9.5391978554        9.9584656610
  O        10.0987164610        7.2750549518        9.9335201937
  H         9.8725380034        7.2721959263        8.9291426468
  H        10.6914849164        8.1777072714       10.0401725248
  H        10.6702000888        6.3686140586       10.0434158120
  O         6.8559439086        7.2238674677        9.9254910738
  H         7.1217828711        7.2225441080        8.9570037703
  H         7.7101881277        7.2184840795       10.4025767433
  O         9.7160343150        2.3945102589        9.5570620507
  H        10.2454187404        3.1725451163        9.8436249845
  H        10.2482178557        1.5986414714        9.8308920335
  O        11.2415665002        5.0323562072        9.9151996110
  H        11.1159592546        4.9145757891        8.9209122095
  H        12.2487405664        4.9741608351        9.9741871728
  O        13.8975741229        4.8446352007        9.5688655848
  H        14.4540457046        5.6270227122        9.8291238785
  H        14.4051928163        4.0426159482        9.8625985112
  O        15.2977224365        2.3877716453        9.9084629078
  H        15.2663898770        2.4684931428        8.9097366838
  H        16.2808140792        2.3693714800       10.0470345090
  O        13.9220429506       -0.0004874779        9.3987037706
  H        14.4512976483        0.7938919852        9.6918381350
  H        14.4476800079       -0.7956834159        9.6964754824
  O        11.0947702990       -0.0018306047        9.9075479311
  H        11.0485985975        0.0136072215        8.9052369693
  H        12.0782612158       -0.0033556520       10.0325326751
  O        13.9107238035        9.6560971445        9.5607084587
  H        14.4191136226       10.4630983020        9.8448314261
  H        14.4632193120        8.8688267998        9.8251172298
  O        15.2956064806       12.0611473774        9.9104912854
  H        15.2552134606       12.0417917474        8.9092924912
  H        16.2788784404       12.0629089943       10.0436497321
  O        18.1223903041       12.0616434645        9.4740637659
  H        18.6402189175       12.8609766491        9.7609006880
  H        18.6595577327       11.2730459532        9.7622705779
  O        19.5022274893        9.6721614113        9.9007803866
  H        19.4633739513        9.6699044869        8.8982231905
  H        20.4888655461        9.6782294418       10.0281325175
  O        18.1200544259        7.2778065287        9.4754199402
  H        18.6577089995        8.0656945708        9.7631683217
  H        18.6354995291        6.4773181865        9.7662782906
  O        15.3014404284        7.2807384721        9.9094479923
  H        15.2511331623        7.2638568427        8.9077373258
  H        16.2871726341        7.2839204796       10.0325274558
     217
 i =       54, E =    -17723.0235966100
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0106151999        1.6111658342        4.5293296218
 Pt         2.7838306104        1.6180882051        4.5275187137
 Pt         5.5772134126        1.5989578243        4.5259703808
 Pt         8.3827391209        1.6089626263        4.5204774785
 Pt        11.1601771542        1.6151627407        4.5218802123
 Pt        13.9543246217        1.5974191721        4.5303642394
 Pt         1.3920200961        4.0169332044        4.5298338921
 Pt         4.1959986913        4.0295640435        4.5243943144
 Pt         6.9688746368        4.0346197262        4.5264244397
 Pt         9.7631581274        4.0194682672        4.5201340273
 Pt        12.5695634981        4.0244292831        4.5200968654
 Pt        15.3516141258        4.0331751761        4.5187663057
 Pt         2.7821020342        6.4550860804        4.5276353423
 Pt         5.5758505658        6.4376152291        4.5295561945
 Pt         8.3727724432        6.4431183298        4.5085516930
 Pt        11.1651785573        6.4469893192        4.5069851325
 Pt        13.9571590839        6.4382060833        4.5176473735
 Pt        16.7632753894        6.4470177973        4.5270741953
 Pt         4.1961798640        8.8638937217        4.5238263762
 Pt         6.9707441133        8.8697150625        4.5246538017
 Pt         9.7660463348        8.8634055439        4.5081860103
 Pt        12.5688113137        8.8658408351        4.5174197716
 Pt        15.3503570064        8.8724485524        4.5201029907
 Pt        18.1420945365        8.8550831077        4.5281425936
 Pt         5.5764074142       11.2722464063        4.5257307740
 Pt         8.3795574514       11.2826402302        4.5197327554
 Pt        11.1622508264       11.2895102907        4.5213813566
 Pt        13.9563373204       11.2750245869        4.5208909873
 Pt        16.7650652260       11.2842568717        4.5275616568
 Pt        19.5361803467       11.2911095661        4.5269321726
 Pt         6.9689520034       13.7096418592        4.5295932674
 Pt         9.7645784130       13.6913969452        4.5208778010
 Pt        12.5740274227       13.6998564246        4.5245105216
 Pt        15.3506610028       13.7064875772        4.5274427130
 Pt        18.1440287760       13.6873274483        4.5285744908
 Pt        20.9501112275       13.7010856988        4.5317904801
 Pt        -0.0014913855       -0.0075916563        6.7852224750
 Pt         2.7874041204       -0.0098346535        6.7515326011
 Pt         5.5777917311       -0.0060071152        6.8647902773
 Pt         8.3711468486       -0.0027069751        6.7844686736
 Pt        11.1628188485       -0.0009649313        6.7563314947
 Pt        13.9586198818       -0.0039022463        6.8874982224
 Pt         1.3928754501        2.4110702253        6.8778071542
 Pt         4.1840202572        2.4124032952        6.7835234292
 Pt         6.9766735487        2.4130652774        6.7530034380
 Pt         9.7664918429        2.4178620485        6.8389070171
 Pt        12.5566312771        2.4189481780        6.7843956071
 Pt        15.3513516695        2.4176813113        6.7545432302
 Pt         2.7877377218        4.8310284970        6.7559519890
 Pt         5.5768139400        4.8301666598        6.8639113036
 Pt         8.3738124220        4.8377783672        6.7859015640
 Pt        11.1581425924        4.8366499833        6.7568076903
 Pt        13.9533900147        4.8318847727        6.8308200754
 Pt        16.7440359312        4.8322797180        6.7847269674
 Pt         4.1865822521        7.2481068368        6.7864899707
 Pt         6.9890396069        7.2457511029        6.7640987482
 Pt         9.7633937961        7.2480261860        6.7941108171
 Pt        12.5511742556        7.2469480286        6.7721833223
 Pt        15.3476007624        7.2485335811        6.7516777550
 Pt        18.1443210471        7.2481028002        6.8747873407
 Pt         5.5837393581        9.6628729371        6.8541092571
 Pt         8.3776790430        9.6608434384        6.7835649609
 Pt        11.1558234359        9.6620224314        6.7579123322
 Pt        13.9500540253        9.6641525705        6.8332579639
 Pt        16.7435523874        9.6655090747        6.7847481000
 Pt        19.5415922402        9.6654976863        6.7523899793
 Pt         6.9796873055       12.0811420670        6.7540462277
 Pt         9.7685658286       12.0806137660        6.8390177120
 Pt        12.5565278172       12.0799127689        6.7834353678
 Pt        15.3495444780       12.0819941911        6.7544291654
 Pt        18.1450194281       12.0829267596        6.8787082732
 Pt        20.9375513168       12.0835300062        6.7869962103
  O         1.3730560290        2.3903685286        9.4726726103
  H         1.8894684934        3.1910363346        9.7614688101
  H         1.9156922708        1.6015610714        9.7526989239
  O         2.7123336735        4.8342870014        9.9067899273
  H         2.6580893866        4.8373269238        8.9063755900
  H         3.7004842114        4.8207792692       10.0213123341
  O         5.4829479422        4.8211069676        9.4771138374
  H         5.9897321336        5.6300216595        9.7493383187
  H         6.0368924361        4.0429373793        9.7644950223
  O         6.9204466408        2.4462819644        9.9075319661
  H         6.9007881884        2.4364941520        8.9054312966
  H         7.9026120932        2.4289245671       10.0578240939
  O         5.5222816329       -0.0001995349        9.4781054010
  H         6.0511183800        0.7947234148        9.7610059984
  H         6.0563493559       -0.7905195757        9.7594608278
  O         2.7499086734       -0.0031285066        9.9075693752
  H         2.6957883015       -0.0454420667        8.9080478466
  H         3.7378095519        0.0026830076       10.0224126667
  O         5.5093828138        9.6747148179        9.4804504785
  H         6.0551735501       10.4497848427        9.7769031690
  H         6.0139094269        8.8625339953        9.7467349169
  O         6.9208616096       12.1182147557        9.9057837198
  H         6.9079158518       12.0678174864        8.9042776133
  H         7.9026034829       12.1246691930       10.0616254016
  O         9.7194829894       12.0672479457        9.5595362506
  H        10.2544478643       12.8599426062        9.8332178906
  H        10.2454908700       11.2908329622        9.8550909093
  O        11.2771896572        9.4775038811        9.9130876575
  H        11.1401336031        9.6037381623        8.9204914857
  H        12.2900410774        9.5364299006        9.9580795989
  O        10.0964068097        7.2755093616        9.9325124334
  H         9.8709970384        7.2737052735        8.9275804642
  H        10.6907424868        8.1776059800       10.0400506468
  H        10.6674974964        6.3695581607       10.0434729321
  O         6.8544945281        7.2237549233        9.9242640949
  H         7.1209009569        7.2227740070        8.9566753760
  H         7.7102478938        7.2191698910       10.4028863223
  O         9.7155951086        2.3941456359        9.5571329573
  H        10.2451374318        3.1728639383        9.8434706502
  H        10.2475529203        1.5989133214        9.8310449139
  O        11.2415381346        5.0321402046        9.9158835791
  H        11.1151039439        4.9150423105        8.9221026204
  H        12.2493333930        4.9743116674        9.9738777622
  O        13.8962235072        4.8444471257        9.5698787387
  H        14.4530455595        5.6271978469        9.8287492665
  H        14.4045552599        4.0426968963        9.8617052472
  O        15.2972435338        2.3875869692        9.9080361780
  H        15.2666000666        2.4681685932        8.9092928361
  H        16.2801615334        2.3693312723       10.0469941875
  O        13.9230855594       -0.0006696193        9.3980157764
  H        14.4525393241        0.7940747773        9.6910902837
  H        14.4487357342       -0.7954300975        9.6959472722
  O        11.0942228645       -0.0019005341        9.9074527572
  H        11.0482662999        0.0133233051        8.9052489608
  H        12.0778418519       -0.0033096554       10.0327751246
  O        13.9126804402        9.6574199602        9.5607505989
  H        14.4216010088       10.4644503853        9.8458603163
  H        14.4641194805        8.8693501312        9.8251914726
  O        15.2956384596       12.0610478252        9.9102204305
  H        15.2557888558       12.0419711810        8.9091928530
  H        16.2794796421       12.0620416417       10.0431878536
  O        18.1224050079       12.0620225487        9.4741511784
  H        18.6408710442       12.8609092351        9.7605751911
  H        18.6592545690       11.2729090661        9.7619781887
  O        19.5024152037        9.6721694131        9.9014596229
  H        19.4630803484        9.6697041487        8.8990231942
  H        20.4892026974        9.6781438125       10.0280814481
  O        18.1204666916        7.2781917895        9.4757886794
  H        18.6580375523        8.0660411688        9.7631768516
  H        18.6364445158        6.4776549770        9.7663581378
  O        15.3012234289        7.2807569736        9.9090974375
  H        15.2514244404        7.2639819659        8.9077199840
  H        16.2876703434        7.2846710393       10.0320527325
     217
 i =       55, E =    -17723.0236227216
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0106993059        1.6111502362        4.5295025947
 Pt         2.7838344201        1.6182347312        4.5277811303
 Pt         5.5770833465        1.5988742052        4.5260611503
 Pt         8.3828544480        1.6090714219        4.5206233924
 Pt        11.1601689357        1.6152518757        4.5219874827
 Pt        13.9541893632        1.5972008305        4.5305330186
 Pt         1.3920434002        4.0168336525        4.5299911035
 Pt         4.1961797046        4.0296416296        4.5245564704
 Pt         6.9689245360        4.0347932199        4.5267429230
 Pt         9.7631368470        4.0194092203        4.5202675866
 Pt        12.5698706088        4.0244483838        4.5203163818
 Pt        15.3515563699        4.0333151177        4.5189315630
 Pt         2.7820929449        6.4551943200        4.5276724131
 Pt         5.5758400523        6.4373545257        4.5298193713
 Pt         8.3729517364        6.4430629007        4.5086697817
 Pt        11.1652345706        6.4470727679        4.5073293804
 Pt        13.9571689639        6.4381217746        4.5177835925
 Pt        16.7634807285        6.4470580921        4.5272263637
 Pt         4.1962323456        8.8638127684        4.5239241788
 Pt         6.9707916771        8.8698701075        4.5245991318
 Pt         9.7659246413        8.8632644071        4.5083920276
 Pt        12.5690785666        8.8656913019        4.5174997083
 Pt        15.3503853554        8.8724920555        4.5203061164
 Pt        18.1420769839        8.8548519691        4.5281225967
 Pt         5.5762908674       11.2721383173        4.5258364734
 Pt         8.3796473832       11.2826458199        4.5199258286
 Pt        11.1621051502       11.2897765227        4.5215372479
 Pt        13.9562800008       11.2749706519        4.5209571941
 Pt        16.7651635462       11.2841947769        4.5277459991
 Pt        19.5360872085       11.2911361695        4.5271280117
 Pt         6.9687185218       13.7098620782        4.5297223986
 Pt         9.7645212738       13.6912255712        4.5209550781
 Pt        12.5740349652       13.6999282466        4.5245765848
 Pt        15.3505134166       13.7066976921        4.5273897188
 Pt        18.1438455351       13.6871486910        4.5286988946
 Pt        20.9503300840       13.7010435143        4.5318870479
 Pt        -0.0016125493       -0.0075643535        6.7854214436
 Pt         2.7875053117       -0.0097240268        6.7513050336
 Pt         5.5777348432       -0.0060116814        6.8644644228
 Pt         8.3713205360       -0.0027852382        6.7846479455
 Pt        11.1626374402       -0.0010845553        6.7561414833
 Pt        13.9586433095       -0.0039362251        6.8875514750
 Pt         1.3927935717        2.4110818863        6.8779985044
 Pt         4.1840038049        2.4123602304        6.7838837288
 Pt         6.9767830833        2.4130828092        6.7529630880
 Pt         9.7665481770        2.4177862826        6.8390590285
 Pt        12.5566538392        2.4188540966        6.7845165960
 Pt        15.3511976781        2.4175509221        6.7542207894
 Pt         2.7877209628        4.8312211892        6.7558287032
 Pt         5.5768746743        4.8301398193        6.8638706460
 Pt         8.3737327855        4.8376861149        6.7858127748
 Pt        11.1582446315        4.8367127849        6.7568888582
 Pt        13.9534047517        4.8318277380        6.8308490214
 Pt        16.7441161090        4.8323116637        6.7850219632
 Pt         4.1865371867        7.2481321655        6.7866350633
 Pt         6.9889729633        7.2456065132        6.7640082202
 Pt         9.7634418971        7.2480929435        6.7938473516
 Pt        12.5511630534        7.2468118622        6.7723159841
 Pt        15.3477573706        7.2485328892        6.7515888888
 Pt        18.1442612780        7.2481832846        6.8743905809
 Pt         5.5836944458        9.6629364349        6.8541353010
 Pt         8.3777240950        9.6610711467        6.7833663886
 Pt        11.1557633099        9.6620222293        6.7579552565
 Pt        13.9502311565        9.6641578975        6.8331475629
 Pt        16.7434860085        9.6655856418        6.7849156026
 Pt        19.5417514181        9.6655635016        6.7523401810
 Pt         6.9797081717       12.0812048006        6.7537357830
 Pt         9.7685370331       12.0806224580        6.8389307044
 Pt        12.5566684337       12.0800195328        6.7835386272
 Pt        15.3496862885       12.0818128715        6.7542153829
 Pt        18.1449863561       12.0828662639        6.8786441969
 Pt        20.9374166231       12.0833401046        6.7872816212
  O         1.3724264222        2.3903718178        9.4724341422
  H         1.8887864138        3.1913059772        9.7614638128
  H         1.9147542889        1.6017599486        9.7523502582
  O         2.7122221891        4.8344276444        9.9067654349
  H         2.6579596075        4.8373575862        8.9063605829
  H         3.7003604673        4.8214545662       10.0212665916
  O         5.4817695607        4.8217905429        9.4766230753
  H         5.9888004136        5.6307234730        9.7481881672
  H         6.0356806931        4.0437891350        9.7641381576
  O         6.9201659294        2.4463531803        9.9074994040
  H         6.9006126748        2.4370498811        8.9054982423
  H         7.9024518273        2.4288256103       10.0579771194
  O         5.5220035824        0.0000414237        9.4780992105
  H         6.0508407904        0.7945191547        9.7609842075
  H         6.0562783187       -0.7905397285        9.7593483418
  O         2.7494893894       -0.0033183119        9.9072045829
  H         2.6957900906       -0.0453050069        8.9076474694
  H         3.7373632244        0.0028709713       10.0226977796
  O         5.5093816722        9.6746581245        9.4801980284
  H         6.0549347801       10.4500620719        9.7768699050
  H         6.0136769541        8.8624596135        9.7463434757
  O         6.9204910932       12.1183184634        9.9055356870
  H         6.9078180291       12.0681377948        8.9039972951
  H         7.9021341529       12.1246457738       10.0618191005
  O         9.7193498178       12.0665001843        9.5597109292
  H        10.2537387074       12.8597227766        9.8331209091
  H        10.2458597266       11.2904585192        9.8549542204
  O        11.2785833737        9.4778241562        9.9135341091
  H        11.1414890161        9.6035116463        8.9208722891
  H        12.2913861870        9.5344560855        9.9579898580
  O        10.0953458134        7.2759696945        9.9322321205
  H         9.8705747210        7.2746229246        8.9269410427
  H        10.6910016495        8.1773623765       10.0397525414
  H        10.6660972700        6.3703616031       10.0432763666
  O         6.8542788017        7.2238663034        9.9243311955
  H         7.1207810828        7.2228630882        8.9564576463
  H         7.7094615983        7.2195224532       10.4027389688
  O         9.7154142548        2.3948220406        9.5572968642
  H        10.2446968183        3.1725734837        9.8431542404
  H        10.2474169130        1.5987566381        9.8312257727
  O        11.2417291772        5.0310615805        9.9163604606
  H        11.1147155228        4.9154548871        8.9225328766
  H        12.2498868361        4.9745481745        9.9739026520
  O        13.8956200045        4.8444542638        9.5703524981
  H        14.4523784911        5.6273674110        9.8286059741
  H        14.4042748769        4.0425795954        9.8613231249
  O        15.2970052374        2.3875473891        9.9077690281
  H        15.2667201737        2.4679032995        8.9089675400
  H        16.2799327996        2.3692557727       10.0471968270
  O        13.9233881544       -0.0005594515        9.3983033591
  H        14.4532096882        0.7940886606        9.6906885644
  H        14.4494102675       -0.7953787525        9.6957168388
  O        11.0941133981       -0.0018993516        9.9074291992
  H        11.0480637267        0.0131429671        8.9052050258
  H        12.0775785473       -0.0033138729       10.0329007902
  O        13.9141298881        9.6585535828        9.5606699971
  H        14.4236129002       10.4652123260        9.8465750350
  H        14.4650284716        8.8702145151        9.8252503170
  O        15.2959754413       12.0610665784        9.9100371397
  H        15.2560475636       12.0421595110        8.9089847587
  H        16.2798522099       12.0615528677       10.0430551893
  O        18.1223036082       12.0621550126        9.4741363622
  H        18.6413045870       12.8608821326        9.7604207464
  H        18.6590251574       11.2730303315        9.7617934737
  O        19.5025363968        9.6721908264        9.9018234459
  H        19.4629418216        9.6696040832        8.8994563224
  H        20.4893635513        9.6780993408       10.0281610376
  O        18.1206607259        7.2782214474        9.4758452278
  H        18.6582463959        8.0661115186        9.7631902624
  H        18.6369742840        6.4779969424        9.7664023776
  O        15.3013155102        7.2807872982        9.9089267482
  H        15.2515390626        7.2640738567        8.9075800583
  H        16.2878844388        7.2851080967       10.0319281003
     217
 i =       56, E =    -17723.0236476365
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0107989755        1.6111018491        4.5299247889
 Pt         2.7837361291        1.6184719848        4.5282703398
 Pt         5.5769440851        1.5986911792        4.5262642111
 Pt         8.3830655387        1.6092357447        4.5208980221
 Pt        11.1601836510        1.6154707953        4.5222415777
 Pt        13.9538884595        1.5967487813        4.5310047127
 Pt         1.3921118887        4.0166096563        4.5302762999
 Pt         4.1965623148        4.0297618992        4.5249036360
 Pt         6.9689895928        4.0351646720        4.5274880389
 Pt         9.7630724744        4.0192247410        4.5205421649
 Pt        12.5703755766        4.0244811594        4.5206601578
 Pt        15.3513880334        4.0336014197        4.5193088290
 Pt         2.7820554856        6.4554534252        4.5278812546
 Pt         5.5758747724        6.4367922683        4.5302765783
 Pt         8.3733175809        6.4429133148        4.5089653550
 Pt        11.1652915332        6.4472678087        4.5078975201
 Pt        13.9571309344        6.4379236537        4.5180415028
 Pt        16.7638822750        6.4471992174        4.5275614882
 Pt         4.1963405383        8.8636143677        4.5240547592
 Pt         6.9707767896        8.8701387039        4.5245249871
 Pt         9.7656583262        8.8629113284        4.5087153106
 Pt        12.5696491590        8.8655033136        4.5177612192
 Pt        15.3504275348        8.8725295875        4.5207166886
 Pt        18.1420517727        8.8543727319        4.5281376325
 Pt         5.5761285721       11.2719490560        4.5259929344
 Pt         8.3799040117       11.2826552998        4.5204035357
 Pt        11.1618231272       11.2902164658        4.5217977570
 Pt        13.9561051117       11.2748115786        4.5211127911
 Pt        16.7653271246       11.2840591860        4.5282085213
 Pt        19.5358496836       11.2911983956        4.5275710987
 Pt         6.9681888784       13.7102565693        4.5301158588
 Pt         9.7643977958       13.6909023743        4.5211088746
 Pt        12.5741219402       13.7000580650        4.5247549687
 Pt        15.3501619047       13.7070721392        4.5272490384
 Pt        18.1436112687       13.6868070096        4.5290382096
 Pt        20.9507611672       13.7010337931        4.5321024951
 Pt        -0.0017917558       -0.0075220721        6.7854968902
 Pt         2.7877820677       -0.0094999380        6.7510154096
 Pt         5.5775175113       -0.0060107830        6.8640080898
 Pt         8.3716528394       -0.0030248743        6.7847968902
 Pt        11.1623685890       -0.0013335790        6.7559780195
 Pt        13.9585481874       -0.0040078084        6.8877433855
 Pt         1.3926688997        2.4111140202        6.8784603633
 Pt         4.1839367073        2.4122485727        6.7843123085
 Pt         6.9769677066        2.4132139089        6.7528919676
 Pt         9.7666214480        2.4176436745        6.8393512799
 Pt        12.5567144245        2.4185638050        6.7846545571
 Pt        15.3509879474        2.4172950957        6.7537846476
 Pt         2.7876514266        4.8315676627        6.7556834614
 Pt         5.5768637447        4.8300801581        6.8636651528
 Pt         8.3735811382        4.8374990328        6.7856678940
 Pt        11.1584392970        4.8368045615        6.7569703577
 Pt        13.9534245801        4.8316545691        6.8307987102
 Pt        16.7441920952        4.8324053019        6.7853491487
 Pt         4.1864899253        7.2481416347        6.7867789586
 Pt         6.9887922098        7.2453421495        6.7638850037
 Pt         9.7636317196        7.2482325240        6.7933106568
 Pt        12.5511169865        7.2465894440        6.7725757359
 Pt        15.3480626321        7.2485371359        6.7514604033
 Pt        18.1442271420        7.2481881954        6.8738626637
 Pt         5.5835431425        9.6630184865        6.8541331298
 Pt         8.3779288609        9.6614351464        6.7830350209
 Pt        11.1556693810        9.6620226822        6.7581097128
 Pt        13.9505471186        9.6641348244        6.8330563197
 Pt        16.7433741375        9.6656973970        6.7849592216
 Pt        19.5419471564        9.6656856756        6.7523306300
 Pt         6.9797549772       12.0812724820        6.7532504021
 Pt         9.7684569144       12.0806652236        6.8386851672
 Pt        12.5569434166       12.0801320919        6.7835884242
 Pt        15.3499780371       12.0815939964        6.7538713277
 Pt        18.1449077533       12.0827796238        6.8785032157
 Pt        20.9371696451       12.0830078935        6.7876319141
  O         1.3712091580        2.3904100008        9.4721568430
  H         1.8875223826        3.1913944976        9.7614251093
  H         1.9133213183        1.6019717290        9.7517088818
  O         2.7119824331        4.8346902357        9.9067172475
  H         2.6574764483        4.8373963413        8.9061731144
  H         3.7000908751        4.8228509032       10.0210599999
  O         5.4791007783        4.8229622394        9.4756559101
  H         5.9869910867        5.6325660208        9.7460827404
  H         6.0328290222        4.0461110669        9.7634182997
  O         6.9196331019        2.4463776462        9.9074670151
  H         6.9002407629        2.4382423333        8.9054806197
  H         7.9020996788        2.4287319992       10.0583537702
  O         5.5214849967        0.0002166862        9.4779571588
  H         6.0503583921        0.7942484805        9.7609579111
  H         6.0560276089       -0.7903573766        9.7591397266
  O         2.7488989469       -0.0038158992        9.9065309507
  H         2.6956260366       -0.0451648234        8.9067493805
  H         3.7365582666        0.0032941474       10.0234471771
  O         5.5097525461        9.6745792673        9.4793473107
  H         6.0544604450       10.4507100267        9.7768449435
  H         6.0132716197        8.8620958889        9.7456142228
  O         6.9199402681       12.1184471655        9.9050991750
  H         6.9076566422       12.0687436574        8.9034231094
  H         7.9012896408       12.1244597046       10.0621822949
  O         9.7190110608       12.0652277304        9.5602734237
  H        10.2524568199       12.8595453475        9.8328639601
  H        10.2465815056       11.2894960915        9.8547236442
  O        11.2816465310        9.4794439126        9.9140113873
  H        11.1442557687        9.6028431200        8.9214639668
  H        12.2944201046        9.5305578371        9.9582843869
  O        10.0942738669        7.2772872120        9.9317726508
  H         9.8700683721        7.2763094994        8.9260875862
  H        10.6917933734        8.1767871239       10.0389285569
  H        10.6634566401        6.3721094977       10.0426319647
  O         6.8533984572        7.2242644548        9.9239786787
  H         7.1207718674        7.2230269102        8.9564768341
  H         7.7082341115        7.2201615698       10.4027136616
  O         9.7149210510        2.3952887140        9.5574519285
  H        10.2442664984        3.1725548330        9.8427247817
  H        10.2470250879        1.5987342230        9.8314973065
  O        11.2422456401        5.0290411450        9.9171526340
  H        11.1141166307        4.9162249985        8.9230454391
  H        12.2506803343        4.9750634865        9.9740439983
  O        13.8947874181        4.8444959333        9.5707944499
  H        14.4511317629        5.6278018315        9.8285487762
  H        14.4037816380        4.0421820956        9.8608356251
  O        15.2967786353        2.3876161475        9.9072078884
  H        15.2669548866        2.4673696538        8.9082293553
  H        16.2795674415        2.3690973250       10.0477242473
  O        13.9234058446       -0.0003507694        9.3994588145
  H        14.4545623874        0.7942112798        9.6899264672
  H        14.4507682813       -0.7953510674        9.6952640948
  O        11.0940040476       -0.0018651561        9.9073699289
  H        11.0476751329        0.0127893379        8.9050896916
  H        12.0772416062       -0.0033082241       10.0331276398
  O        13.9171347271        9.6610739594        9.5605560453
  H        14.4277816746       10.4664617496        9.8479162062
  H        14.4672367330        8.8725489438        9.8252468492
  O        15.2969642022       12.0611625391        9.9096944190
  H        15.2564509246       12.0426126010        8.9084269819
  H        16.2806004900       12.0606873580       10.0429251082
  O        18.1221105405       12.0624893712        9.4740155849
  H        18.6420556318       12.8607043265        9.7601291878
  H        18.6586027063       11.2733479037        9.7614713977
  O        19.5027434617        9.6722318540        9.9025100242
  H        19.4626622686        9.6694187103        8.9001633191
  H        20.4896270174        9.6780329365       10.0284313657
  O        18.1210036222        7.2782378048        9.4757129703
  H        18.6586129768        8.0661361850        9.7632342486
  H        18.6379663505        6.4787167842        9.7665022526
  O        15.3018931583        7.2809199382        9.9087094128
  H        15.2516512065        7.2642833237        8.9071243159
  H        16.2880576819        7.2859066925       10.0318096598
     217
 i =       57, E =    -17723.0236514772
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0107399727        1.6111017675        4.5300430777
 Pt         2.7836183741        1.6185153617        4.5283339373
 Pt         5.5770313140        1.5987857681        4.5263153612
 Pt         8.3830926673        1.6092069110        4.5209422155
 Pt        11.1602063982        1.6155063268        4.5223367589
 Pt        13.9537843439        1.5967182045        4.5311486922
 Pt         1.3921518640        4.0165798442        4.5303319418
 Pt         4.1966136033        4.0296988184        4.5249956371
 Pt         6.9690155277        4.0351889831        4.5276577513
 Pt         9.7631628586        4.0191533760        4.5206283774
 Pt        12.5703411963        4.0244455249        4.5206334461
 Pt        15.3514119643        4.0336506199        4.5194042442
 Pt         2.7821322662        6.4554652513        4.5279642967
 Pt         5.5759665503        6.4367253698        4.5302519924
 Pt         8.3733853178        6.4428477765        4.5090286625
 Pt        11.1653621658        6.4472720365        4.5078140260
 Pt        13.9571390778        6.4379112253        4.5180892766
 Pt        16.7639306348        6.4472027154        4.5275876327
 Pt         4.1963805880        8.8635027585        4.5240096622
 Pt         6.9706654069        8.8700740275        4.5245587877
 Pt         9.7656933849        8.8628529114        4.5086108141
 Pt        12.5697356822        8.8655939022        4.5179700090
 Pt        15.3504784478        8.8724713762        4.5207401556
 Pt        18.1421109132        8.8543586100        4.5281880044
 Pt         5.5761125557       11.2719464993        4.5259521470
 Pt         8.3799551608       11.2826868897        4.5204343834
 Pt        11.1618288564       11.2901171537        4.5218117245
 Pt        13.9560102538       11.2747720654        4.5211142758
 Pt        16.7652889451       11.2839867658        4.5282816178
 Pt        19.5357894617       11.2911708638        4.5276602167
 Pt         6.9680759180       13.7102689782        4.5302711395
 Pt         9.7643193341       13.6909770457        4.5211276139
 Pt        12.5741250779       13.7000704149        4.5247353122
 Pt        15.3500925149       13.7070840987        4.5271881521
 Pt        18.1436877633       13.6867998771        4.5291042309
 Pt        20.9507055880       13.7010245696        4.5322055285
 Pt        -0.0017613805       -0.0075121793        6.7852960844
 Pt         2.7878707442       -0.0094283343        6.7511067299
 Pt         5.5774647161       -0.0059794821        6.8640772940
 Pt         8.3716692228       -0.0031621020        6.7846684615
 Pt        11.1624092061       -0.0014574559        6.7561725640
 Pt        13.9582903541       -0.0041109549        6.8880722617
 Pt         1.3926407867        2.4111986740        6.8787807025
 Pt         4.1838882489        2.4122631386        6.7842728936
 Pt         6.9769944504        2.4132514634        6.7529567511
 Pt         9.7666647352        2.4175963876        6.8395728105
 Pt        12.5566973092        2.4183650353        6.7847200398
 Pt        15.3510217950        2.4172373953        6.7538853551
 Pt         2.7876073184        4.8316310658        6.7557963298
 Pt         5.5766709449        4.8300259671        6.8636063926
 Pt         8.3736448149        4.8374640749        6.7857952106
 Pt        11.1584797195        4.8367569893        6.7569861489
 Pt        13.9534536642        4.8315453249        6.8308059481
 Pt        16.7441436441        4.8324487958        6.7852724068
 Pt         4.1865320345        7.2481499918        6.7867736793
 Pt         6.9887448207        7.2453694436        6.7638368140
 Pt         9.7637274715        7.2482803907        6.7933008158
 Pt        12.5511832098        7.2466113694        6.7727846744
 Pt        15.3481321728        7.2485230889        6.7515461839
 Pt        18.1443444788        7.2481329915        6.8740256709
 Pt         5.5834972669        9.6629902750        6.8541376199
 Pt         8.3780508032        9.6614221964        6.7830233520
 Pt        11.1557727038        9.6620585289        6.7581992844
 Pt        13.9505959195        9.6641035656        6.8332976467
 Pt        16.7434555013        9.6656681075        6.7847904082
 Pt        19.5418552572        9.6656633702        6.7524937383
 Pt         6.9797173360       12.0812766084        6.7532679192
 Pt         9.7684795202       12.0808003404        6.8386515322
 Pt        12.5570270768       12.0800608201        6.7834876192
 Pt        15.3500525482       12.0817502813        6.7538307059
 Pt        18.1448819553       12.0827480498        6.8785657019
 Pt        20.9371251210       12.0829733227        6.7876234239
  O         1.3706414599        2.3903430071        9.4721257732
  H         1.8869201009        3.1912840848        9.7614421124
  H         1.9128882088        1.6019139368        9.7514670043
  O         2.7117365862        4.8348011718        9.9064995734
  H         2.6571087310        4.8374454003        8.9061632853
  H         3.6998928230        4.8235861207       10.0209041436
  O         5.4777261155        4.8246747562        9.4753666488
  H         5.9855875717        5.6334139263        9.7448108336
  H         6.0313165742        4.0471636870        9.7632538846
  O         6.9194465641        2.4463339539        9.9073599258
  H         6.9000049400        2.4389900397        8.9055135889
  H         7.9017556080        2.4287495389       10.0585290915
  O         5.5212254817        0.0003440289        9.4778062031
  H         6.0500420169        0.7942075353        9.7608906714
  H         6.0558563325       -0.7903009479        9.7590868297
  O         2.7485400224       -0.0039385703        9.9061188615
  H         2.6955140617       -0.0451210867        8.9064392772
  H         3.7361545864        0.0034925272       10.0238925025
  O         5.5100061880        9.6747932959        9.4789307419
  H         6.0541639804       10.4508690412        9.7767821694
  H         6.0132055791        8.8618319550        9.7452527973
  O         6.9196686057       12.1184344535        9.9047654930
  H         6.9076878635       12.0689836249        8.9031683743
  H         7.9010946596       12.1241269300       10.0623388682
  O         9.7189131465       12.0645953385        9.5606362847
  H        10.2518823228       12.8594504959        9.8326430746
  H        10.2468364111       11.2892642044        9.8545131640
  O        11.2815665112        9.4795839257        9.9141683973
  H        11.1458888409        9.6025206868        8.9211942961
  H        12.2964380971        9.5290032389        9.9589366274
  O        10.0944920434        7.2780823635        9.9314300081
  H         9.8697196231        7.2771428386        8.9256309376
  H        10.6922767993        8.1768895109       10.0384191703
  H        10.6623179287        6.3729146402       10.0422555508
  O         6.8537776257        7.2244238538        9.9247834781
  H         7.1209642866        7.2231733174        8.9560092656
  H         7.7066267808        7.2205185112       10.4023375620
  O         9.7148573284        2.3953278684        9.5574221437
  H        10.2441764206        3.1726810454        9.8425571386
  H        10.2467432612        1.5988623612        9.8316261484
  O        11.2419084148        5.0294876090        9.9168531073
  H        11.1140621878        4.9164280801        8.9233201529
  H        12.2507007236        4.9752215417        9.9740092019
  O        13.8949669409        4.8444124981        9.5705045258
  H        14.4505460936        5.6279094196        9.8287453397
  H        14.4033755272        4.0421449284        9.8607470661
  O        15.2967260725        2.3877202745        9.9068028513
  H        15.2671874802        2.4671413217        8.9078024615
  H        16.2794711859        2.3690752120       10.0479358574
  O        13.9236468995       -0.0003559784        9.4003656712
  H        14.4550988589        0.7941329721        9.6893923745
  H        14.4512582142       -0.7950473269        9.6948523585
  O        11.0939254851       -0.0018869250        9.9073346886
  H        11.0475129074        0.0126108883        8.9050739897
  H        12.0773381786       -0.0032449681       10.0331948695
  O        13.9183437958        9.6621130685        9.5604923218
  H        14.4301302688       10.4673900326        9.8485604221
  H        14.4689753177        8.8740808926        9.8250237943
  O        15.2972354778       12.0611659330        9.9094012661
  H        15.2567040520       12.0429446899        8.9082804547
  H        16.2813258621       12.0603657284       10.0428511073
  O        18.1220560222       12.0625280326        9.4738525138
  H        18.6424085113       12.8606946801        9.7600222377
  H        18.6584088525       11.2734852195        9.7613286690
  O        19.5027983046        9.6722334743        9.9027318368
  H        19.4624825463        9.6693138089        8.9005227027
  H        20.4896911777        9.6780316192       10.0286283177
  O        18.1212696584        7.2784665403        9.4755344038
  H        18.6586690673        8.0661145528        9.7632247496
  H        18.6384666064        6.4789414919        9.7665577062
  O        15.3016953383        7.2810723390        9.9083428605
  H        15.2516833738        7.2644479443        8.9070891231
  H        16.2885168418        7.2862396351       10.0318062393
     217
 i =       58, E =    -17723.0236593943
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0106907678        1.6111166437        4.5300265043
 Pt         2.7835840786        1.6184724940        4.5282768389
 Pt         5.5770920348        1.5987998566        4.5263020501
 Pt         8.3830760524        1.6091720129        4.5209149379
 Pt        11.1602095833        1.6154920275        4.5223380362
 Pt        13.9538017482        1.5967603305        4.5311623376
 Pt         1.3921583634        4.0165958582        4.5302988074
 Pt         4.1965794676        4.0296748493        4.5249614356
 Pt         6.9690132073        4.0351608291        4.5276295996
 Pt         9.7631612776        4.0191436936        4.5206118644
 Pt        12.5702541034        4.0244378088        4.5205661012
 Pt        15.3514081124        4.0336229948        4.5193780421
 Pt         2.7821349704        6.4554494668        4.5279972755
 Pt         5.5759897425        6.4367608913        4.5301766829
 Pt         8.3733608227        6.4428417390        4.5090293220
 Pt        11.1653532864        6.4472672209        4.5077172493
 Pt        13.9571218308        6.4379304045        4.5180676123
 Pt        16.7638988947        6.4472182780        4.5275674370
 Pt         4.1963674040        8.8635099623        4.5239783750
 Pt         6.9706362571        8.8700309195        4.5245832260
 Pt         9.7657161253        8.8628626318        4.5085476304
 Pt        12.5697029104        8.8656487799        4.5179974882
 Pt        15.3504648993        8.8724480939        4.5207064944
 Pt        18.1421296618        8.8543945943        4.5282088680
 Pt         5.5761506223       11.2719720866        4.5259131465
 Pt         8.3799547120       11.2826803086        4.5204203496
 Pt        11.1618583418       11.2900414134        4.5217662563
 Pt        13.9560143530       11.2747659772        4.5211140606
 Pt        16.7652541140       11.2840016353        4.5282618578
 Pt        19.5357931057       11.2911589605        4.5276354574
 Pt         6.9680852299       13.7102172913        4.5302856679
 Pt         9.7643361564       13.6910199722        4.5211035532
 Pt        12.5741335880       13.7000621184        4.5247346126
 Pt        15.3501064445       13.7070296746        4.5271831169
 Pt        18.1437657579       13.6868407997        4.5291009729
 Pt        20.9506540281       13.7010538655        4.5321989692
 Pt        -0.0017240473       -0.0075109365        6.7851581509
 Pt         2.7878765104       -0.0094382369        6.7511947648
 Pt         5.5774452301       -0.0059664971        6.8642083844
 Pt         8.3716309991       -0.0031665404        6.7845633303
 Pt        11.1624653780       -0.0014423204        6.7562947482
 Pt        13.9582270117       -0.0041133698        6.8881337363
 Pt         1.3926646590        2.4112170062        6.8787933742
 Pt         4.1838733856        2.4122657335        6.7841199333
 Pt         6.9769719122        2.4132732024        6.7529771182
 Pt         9.7666502972        2.4176036615        6.8395724294
 Pt        12.5566959297        2.4183456056        6.7846891288
 Pt        15.3510760290        2.4172579528        6.7540068655
 Pt         2.7875949216        4.8315884495        6.7558554464
 Pt         5.5766055471        4.8300264746        6.8635760788
 Pt         8.3736709410        4.8374878611        6.7858458732
 Pt        11.1584687308        4.8367370898        6.7569339378
 Pt        13.9534484325        4.8315353609        6.8307735819
 Pt        16.7441079507        4.8324609301        6.7851369472
 Pt         4.1865628426        7.2481400526        6.7867126549
 Pt         6.9887532068        7.2454007574        6.7638833682
 Pt         9.7637515407        7.2482710883        6.7933543060
 Pt        12.5511870410        7.2466506362        6.7727775184
 Pt        15.3481061916        7.2485286096        6.7515809365
 Pt        18.1443977360        7.2480741135        6.8742130833
 Pt         5.5834890292        9.6629723716        6.8541253682
 Pt         8.3780896299        9.6613546385        6.7830704206
 Pt        11.1557987569        9.6620639124        6.7582121751
 Pt        13.9505654488        9.6640996466        6.8333974567
 Pt        16.7434769755        9.6656408073        6.7846750238
 Pt        19.5417928612        9.6656456571        6.7525396062
 Pt         6.9797116682       12.0812471355        6.7533560301
 Pt         9.7684872639       12.0808260291        6.8386499884
 Pt        12.5570038574       12.0800171364        6.7834215236
 Pt        15.3500235327       12.0818374006        6.7538846892
 Pt        18.1448844869       12.0827701833        6.8785873804
 Pt        20.9371536462       12.0830152603        6.7875087756
  O         1.3707338835        2.3902361930        9.4722142491
  H         1.8870120760        3.1911634478        9.7614540318
  H         1.9131176373        1.6018528997        9.7515243105
  O         2.7117325370        4.8347863348        9.9065198243
  H         2.6570551443        4.8374602404        8.9060929743
  H         3.6998523246        4.8235285606       10.0208767208
  O         5.4777069771        4.8242994350        9.4754063429
  H         5.9857109247        5.6336468175        9.7449696987
  H         6.0312179779        4.0473276889        9.7632824437
  O         6.9194123874        2.4463079334        9.9073532242
  H         6.9000017255        2.4389889822        8.9054558802
  H         7.9017823341        2.4287935849       10.0585178333
  O         5.5212559497        0.0002935580        9.4777791329
  H         6.0500413295        0.7942524067        9.7608753693
  H         6.0558266985       -0.7902682111        9.7591121748
  O         2.7486200653       -0.0039193670        9.9062000030
  H         2.6954593624       -0.0451467110        8.9064474679
  H         3.7361841453        0.0034781250       10.0239059097
  O         5.5100643012        9.6746726495        9.4788817843
  H         6.0542411372       10.4509127622        9.7768192319
  H         6.0132356500        8.8618528831        9.7452686294
  O         6.9198138705       12.1183918608        9.9048023548
  H         6.9077532048       12.0688910683        8.9031548284
  H         7.9011611889       12.1240190687       10.0622898676
  O         9.7188712657       12.0647938296        9.5606505556
  H        10.2519987643       12.8595262313        9.8326061799
  H        10.2467944875       11.2892403897        9.8545288252
  O        11.2816341503        9.4797880928        9.9140531066
  H        11.1457535937        9.6024727045        8.9209697475
  H        12.2958240998        9.5292645312        9.9592002821
  O        10.0947591171        7.2780225173        9.9314238229
  H         9.8697738079        7.2770073316        8.9258188564
  H        10.6923491051        8.1770952673       10.0383382052
  H        10.6626112923        6.3728546291       10.0421699954
  O         6.8533272389        7.2244604733        9.9242713348
  H         7.1209910131        7.2231789684        8.9562644108
  H         7.7071052884        7.2204928018       10.4026520132
  O         9.7148970542        2.3952926439        9.5573746926
  H        10.2442515478        3.1727287223        9.8426026286
  H        10.2467817813        1.5988702316        9.8316289042
  O        11.2419604755        5.0297458904        9.9167821704
  H        11.1141619173        4.9163308136        8.9230599595
  H        12.2504467443        4.9752340778        9.9739728572
  O        13.8951296701        4.8444567502        9.5701897014
  H        14.4506588563        5.6278988581        9.8288623194
  H        14.4034193207        4.0420866685        9.8608889273
  O        15.2968151236        2.3877568275        9.9067980325
  H        15.2672148520        2.4672129059        8.9077587470
  H        16.2795365813        2.3690938279       10.0478921087
  O        13.9234372414       -0.0003095176        9.4004311251
  H        14.4550746395        0.7941644643        9.6894045967
  H        14.4512670479       -0.7951102483        9.6948639233
  O        11.0940475498       -0.0018922385        9.9073650174
  H        11.0475346453        0.0126197876        8.9050748466
  H        12.0774009748       -0.0032209471       10.0331393086
  O        13.9181494759        9.6621250688        9.5605673115
  H        14.4298970646       10.4672285507        9.8484036453
  H        14.4691170124        8.8741470045        9.8249231746
  O        15.2973674088       12.0611593393        9.9094874745
  H        15.2566653277       12.0429678263        8.9082369853
  H        16.2812465900       12.0604564478       10.0428520275
  O        18.1220722284       12.0625598064        9.4738293413
  H        18.6423321518       12.8606705620        9.7600406668
  H        18.6584469051       11.2734685746        9.7613503735
  O        19.5027693285        9.6722303310        9.9026822279
  H        19.4624794145        9.6693165578        8.9004208652
  H        20.4896360158        9.6780496514       10.0286407979
  O        18.1212435366        7.2783666033        9.4754665707
  H        18.6586451662        8.0661451516        9.7632327147
  H        18.6383833174        6.4789422640        9.7665397906
  O        15.3018976706        7.2811101890        9.9084710315
  H        15.2516220991        7.2644591091        8.9070118235
  H        16.2883293836        7.2861750133       10.0318107121
     217
 i =       59, E =    -17723.0236655035
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0105733939        1.6111566958        4.5300134424
 Pt         2.7834896860        1.6184085160        4.5281839177
 Pt         5.5772288754        1.5988771177        4.5262852917
 Pt         8.3830539385        1.6090963654        4.5208774265
 Pt        11.1602148519        1.6154537151        4.5223694179
 Pt        13.9538108545        1.5968493462        4.5312083515
 Pt         1.3921811634        4.0166276357        4.5302567901
 Pt         4.1965089870        4.0296023827        4.5249101340
 Pt         6.9690304340        4.0350942164        4.5275981145
 Pt         9.7632023279        4.0191115622        4.5206080255
 Pt        12.5700730797        4.0244026947        4.5204319583
 Pt        15.3514251370        4.0335703620        4.5193412542
 Pt         2.7821789952        6.4553976181        4.5280619017
 Pt         5.5760628993        6.4368308584        4.5300093837
 Pt         8.3733305295        6.4428122044        4.5090364403
 Pt        11.1653819993        6.4472451895        4.5074993164
 Pt        13.9571051686        6.4379761532        4.5180427942
 Pt        16.7638475514        6.4472323858        4.5275201397
 Pt         4.1963494285        8.8634952224        4.5239109012
 Pt         6.9705594550        8.8699174624        4.5246423000
 Pt         9.7657928277        8.8628837539        4.5083869705
 Pt        12.5696507710        8.8657747008        4.5181158273
 Pt        15.3504596079        8.8723821942        4.5206345854
 Pt        18.1421976649        8.8544766798        4.5282586763
 Pt         5.5762091152       11.2720218189        4.5258255912
 Pt         8.3799458713       11.2826784801        4.5203681811
 Pt        11.1619257634       11.2898532957        4.5216804499
 Pt        13.9560069259       11.2747512286        4.5211036323
 Pt        16.7651687535       11.2840099344        4.5282110582
 Pt        19.5357949156       11.2911127547        4.5275982984
 Pt         6.9680818129       13.7101143955        4.5303386851
 Pt         9.7643468474       13.6911452110        4.5210561262
 Pt        12.5741287524       13.7000535402        4.5247085704
 Pt        15.3501292114       13.7069219045        4.5271560419
 Pt        18.1439358520       13.6869269609        4.5290895329
 Pt        20.9505103934       13.7010908167        4.5322178109
 Pt        -0.0016477947       -0.0075032682        6.7848661256
 Pt         2.7879013042       -0.0094359636        6.7513837449
 Pt         5.5774135345       -0.0059266769        6.8644777485
 Pt         8.3715517494       -0.0032076415        6.7843338756
 Pt        11.1625803883       -0.0014606475        6.7565961560
 Pt        13.9580173726       -0.0041663118        6.8883821743
 Pt         1.3926939390        2.4112896345        6.8789345548
 Pt         4.1838286683        2.4122855666        6.7838460394
 Pt         6.9769402229        2.4133060815        6.7530506667
 Pt         9.7666462508        2.4175915427        6.8396714550
 Pt        12.5566790003        2.4182468021        6.7846795418
 Pt        15.3511817517        2.4172741469        6.7542704775
 Pt         2.7875559268        4.8315237449        6.7560107278
 Pt         5.5764143280        4.8300102212        6.8635159217
 Pt         8.3737562872        4.8375288762        6.7860075521
 Pt        11.1584634921        4.8366785613        6.7568483200
 Pt        13.9534501324        4.8314806914        6.8307425385
 Pt        16.7440299699        4.8324929831        6.7848793674
 Pt         4.1866370455        7.2481325524        6.7866110670
 Pt         6.9887724120        7.2454758497        6.7639436202
 Pt         9.7638187924        7.2482669225        6.7934733951
 Pt        12.5512347719        7.2467322817        6.7728504780
 Pt        15.3480770554        7.2485284869        6.7516843573
 Pt        18.1445423299        7.2479603270        6.8746311991
 Pt         5.5834695891        9.6629304361        6.8541174301
 Pt         8.3781932691        9.6612193114        6.7831501656
 Pt        11.1558952429        9.6620888103        6.7582736680
 Pt        13.9505349409        9.6640903267        6.8336926025
 Pt        16.7435557400        9.6655735739        6.7844296447
 Pt        19.5416484104        9.6655929121        6.7526937900
 Pt         6.9796799912       12.0811944822        6.7535300163
 Pt         9.7685224667       12.0809271770        6.8386517822
 Pt        12.5569856770       12.0799176599        6.7832711698
 Pt        15.3499822508       12.0820561214        6.7539670793
 Pt        18.1448847220       12.0827909599        6.8786657810
 Pt        20.9371936543       12.0830771125        6.7873141615
  O         1.3707024923        2.3900471372        9.4723378472
  H         1.8869088477        3.1909357959        9.7614911862
  H         1.9133284335        1.6016952028        9.7515341158
  O         2.7115848413        4.8348045752        9.9064803167
  H         2.6568074485        4.8375090752        8.9059757047
  H         3.6997000388        4.8237426131       10.0207562463
  O         5.4771197597        4.8246187776        9.4753839211
  H         5.9852616255        5.6343767673        9.7446771825
  H         6.0304761972        4.0479412668        9.7633208396
  O         6.9192977814        2.4462731958        9.9073325288
  H         6.8998961622        2.4393225507        8.9053701292
  H         7.9016383328        2.4288757072       10.0585505382
  O         5.5211978455        0.0002189726        9.4776908614
  H         6.0499180622        0.7943640267        9.7608157175
  H         6.0556856458       -0.7901856257        9.7591283383
  O         2.7485639841       -0.0038829386        9.9062025717
  H         2.6953601696       -0.0451672806        8.9063609171
  H         3.7360435031        0.0035225795       10.0240779018
  O         5.5101823311        9.6746227406        9.4787261447
  H         6.0542441862       10.4509802763        9.7768291768
  H         6.0132946102        8.8618058592        9.7451438750
  O         6.9199314220       12.1183110937        9.9047320197
  H         6.9078988456       12.0688267527        8.9030246440
  H         7.9012217835       12.1236647184       10.0622625829
  O         9.7187508864       12.0648624901        9.5607469055
  H        10.2519718991       12.8595797223        9.8324604831
  H        10.2468398272       11.2891670743        9.8544569764
  O        11.2817753573        9.4799051729        9.9138510081
  H        11.1462852318        9.6022849571        8.9205015639
  H        12.2953753746        9.5291731612        9.9599331479
  O        10.0951440636        7.2782540806        9.9312109390
  H         9.8696760149        7.2771508514        8.9258988927
  H        10.6926812457        8.1776281664       10.0380116338
  H        10.6627226061        6.3730138199       10.0418947623
  O         6.8528568906        7.2245425779        9.9238097480
  H         7.1211031470        7.2232691638        8.9564289678
  H         7.7071422301        7.2206096380       10.4030167704
  O         9.7149542909        2.3952457262        9.5572713081
  H        10.2443473009        3.1728697993        9.8426122200
  H        10.2467290516        1.5989413776        9.8316908989
  O        11.2418553312        5.0304526547        9.9165451277
  H        11.1143098417        4.9162282161        8.9227012644
  H        12.2499642997        4.9753156528        9.9738704734
  O        13.8954449704        4.8444707255        9.5694821251
  H        14.4506453368        5.6279069962        9.8291587614
  H        14.4033257428        4.0420123573        9.8610881458
  O        15.2969208643        2.3878373165        9.9066376188
  H        15.2673954581        2.4672502268        8.9075215338
  H        16.2795972527        2.3691326824       10.0478669021
  O        13.9232042269       -0.0002703731        9.4007316242
  H        14.4552700762        0.7942283853        9.6892228714
  H        14.4514828100       -0.7950933954        9.6947264975
  O        11.0942013932       -0.0019211663        9.9074025637
  H        11.0475174621        0.0125641696        8.9050942481
  H        12.0775607801       -0.0031443101       10.0330623974
  O        13.9184047084        9.6625436679        9.5607428980
  H        14.4303959907       10.4674035828        9.8483485423
  H        14.4700984167        8.8748689215        9.8245991605
  O        15.2976485548       12.0611327311        9.9095149483
  H        15.2567433524       12.0431627582        8.9081537140
  H        16.2814250663       12.0604951585       10.0427794087
  O        18.1221066603       12.0626238460        9.4737462346
  H        18.6423358057       12.8606403766        9.7600218946
  H        18.6584370718       11.2734652093        9.7613288096
  O        19.5027242928        9.6722236863        9.9027090996
  H        19.4624017292        9.6692750576        8.9003936565
  H        20.4895680631        9.6780833542       10.0287340071
  O        18.1213218279        7.2783316889        9.4753170008
  H        18.6586182996        8.0662188761        9.7632343810
  H        18.6384484016        6.4789915528        9.7665233175
  O        15.3020803955        7.2812500912        9.9085274026
  H        15.2515473483        7.2645514449        8.9069144205
  H        16.2882379526        7.2861867453       10.0317892501
     217
 i =       60, E =    -17723.0236852506
 Pt         0.0000000000        0.0000000000        0.0000000000
 Pt         2.7920000000        0.0000000000        0.0000000000
 Pt         5.5840000000        0.0000000000        0.0000000000
 Pt         8.3760000000        0.0000000000        0.0000000000
 Pt        11.1680000000        0.0000000000        0.0000000000
 Pt        13.9600000000        0.0000000000        0.0000000000
 Pt         1.3960000000        2.4179400000        0.0000000000
 Pt         4.1880000000        2.4179400000        0.0000000000
 Pt         6.9800000000        2.4179400000        0.0000000000
 Pt         9.7720000000        2.4179400000        0.0000000000
 Pt        12.5640000000        2.4179400000        0.0000000000
 Pt        15.3560000000        2.4179400000        0.0000000000
 Pt         2.7920000000        4.8358900000        0.0000000000
 Pt         5.5840000000        4.8358900000        0.0000000000
 Pt         8.3760000000        4.8358900000        0.0000000000
 Pt        11.1680000000        4.8358900000        0.0000000000
 Pt        13.9600000000        4.8358900000        0.0000000000
 Pt        16.7520000000        4.8358900000        0.0000000000
 Pt         4.1880000000        7.2538300000        0.0000000000
 Pt         6.9800000000        7.2538300000        0.0000000000
 Pt         9.7720000000        7.2538300000        0.0000000000
 Pt        12.5640000000        7.2538300000        0.0000000000
 Pt        15.3560000000        7.2538300000        0.0000000000
 Pt        18.1480000000        7.2538300000        0.0000000000
 Pt         5.5840000000        9.6717700000        0.0000000000
 Pt         8.3760000000        9.6717700000        0.0000000000
 Pt        11.1680000000        9.6717700000        0.0000000000
 Pt        13.9600000000        9.6717700000        0.0000000000
 Pt        16.7520000000        9.6717700000        0.0000000000
 Pt        19.5440000000        9.6717700000        0.0000000000
 Pt         6.9800000000       12.0897100000        0.0000000000
 Pt         9.7720000000       12.0897100000        0.0000000000
 Pt        12.5640000000       12.0897100000        0.0000000000
 Pt        15.3560000000       12.0897100000        0.0000000000
 Pt        18.1480000000       12.0897100000        0.0000000000
 Pt        20.9400000000       12.0897100000        0.0000000000
 Pt         1.3960000000        0.8059800000        2.2796600000
 Pt         4.1880000000        0.8059800000        2.2796600000
 Pt         6.9800000000        0.8059800000        2.2796600000
 Pt         9.7720000000        0.8059800000        2.2796600000
 Pt        12.5640000000        0.8059800000        2.2796600000
 Pt        15.3560000000        0.8059800000        2.2796600000
 Pt         2.7920000000        3.2239200000        2.2796600000
 Pt         5.5840000000        3.2239200000        2.2796600000
 Pt         8.3760000000        3.2239200000        2.2796600000
 Pt        11.1680000000        3.2239200000        2.2796600000
 Pt        13.9600000000        3.2239200000        2.2796600000
 Pt        16.7520000000        3.2239200000        2.2796600000
 Pt         4.1880000000        5.6418700000        2.2796600000
 Pt         6.9800000000        5.6418700000        2.2796600000
 Pt         9.7720000000        5.6418700000        2.2796600000
 Pt        12.5640000000        5.6418700000        2.2796600000
 Pt        15.3560000000        5.6418700000        2.2796600000
 Pt        18.1480000000        5.6418700000        2.2796600000
 Pt         5.5840000000        8.0598100000        2.2796600000
 Pt         8.3760000000        8.0598100000        2.2796600000
 Pt        11.1680000000        8.0598100000        2.2796600000
 Pt        13.9600000000        8.0598100000        2.2796600000
 Pt        16.7520000000        8.0598100000        2.2796600000
 Pt        19.5440000000        8.0598100000        2.2796600000
 Pt         6.9800000000       10.4777500000        2.2796600000
 Pt         9.7720000000       10.4777500000        2.2796600000
 Pt        12.5640000000       10.4777500000        2.2796600000
 Pt        15.3560000000       10.4777500000        2.2796600000
 Pt        18.1480000000       10.4777500000        2.2796600000
 Pt        20.9400000000       10.4777500000        2.2796600000
 Pt         8.3760000000       12.8957000000        2.2796600000
 Pt        11.1680000000       12.8957000000        2.2796600000
 Pt        13.9600000000       12.8957000000        2.2796600000
 Pt        16.7520000000       12.8957000000        2.2796600000
 Pt        19.5440000000       12.8957000000        2.2796600000
 Pt        22.3360000000       12.8957000000        2.2796600000
 Pt         0.0105733939        1.6111566958        4.5300134424
 Pt         2.7834896860        1.6184085160        4.5281839177
 Pt         5.5772288754        1.5988771177        4.5262852917
 Pt         8.3830539385        1.6090963654        4.5208774265
 Pt        11.1602148519        1.6154537151        4.5223694179
 Pt        13.9538108545        1.5968493462        4.5312083515
 Pt         1.3921811634        4.0166276357        4.5302567901
 Pt         4.1965089870        4.0296023827        4.5249101340
 Pt         6.9690304340        4.0350942164        4.5275981145
 Pt         9.7632023279        4.0191115622        4.5206080255
 Pt        12.5700730797        4.0244026947        4.5204319583
 Pt        15.3514251370        4.0335703620        4.5193412542
 Pt         2.7821789952        6.4553976181        4.5280619017
 Pt         5.5760628993        6.4368308584        4.5300093837
 Pt         8.3733305295        6.4428122044        4.5090364403
 Pt        11.1653819993        6.4472451895        4.5074993164
 Pt        13.9571051686        6.4379761532        4.5180427942
 Pt        16.7638475514        6.4472323858        4.5275201397
 Pt         4.1963494285        8.8634952224        4.5239109012
 Pt         6.9705594550        8.8699174624        4.5246423000
 Pt         9.7657928277        8.8628837539        4.5083869705
 Pt        12.5696507710        8.8657747008        4.5181158273
 Pt        15.3504596079        8.8723821942        4.5206345854
 Pt        18.1421976649        8.8544766798        4.5282586763
 Pt         5.5762091152       11.2720218189        4.5258255912
 Pt         8.3799458713       11.2826784801        4.5203681811
 Pt        11.1619257634       11.2898532957        4.5216804499
 Pt        13.9560069259       11.2747512286        4.5211036323
 Pt        16.7651687535       11.2840099344        4.5282110582
 Pt        19.5357949156       11.2911127547        4.5275982984
 Pt         6.9680818129       13.7101143955        4.5303386851
 Pt         9.7643468474       13.6911452110        4.5210561262
 Pt        12.5741287524       13.7000535402        4.5247085704
 Pt        15.3501292114       13.7069219045        4.5271560419
 Pt        18.1439358520       13.6869269609        4.5290895329
 Pt        20.9505103934       13.7010908167        4.5322178109
 Pt        -0.0016477947       -0.0075032682        6.7848661256
 Pt         2.7879013042       -0.0094359636        6.7513837449
 Pt         5.5774135345       -0.0059266769        6.8644777485
 Pt         8.3715517494       -0.0032076415        6.7843338756
 Pt        11.1625803883       -0.0014606475        6.7565961560
 Pt        13.9580173726       -0.0041663118        6.8883821743
 Pt         1.3926939390        2.4112896345        6.8789345548
 Pt         4.1838286683        2.4122855666        6.7838460394
 Pt         6.9769402229        2.4133060815        6.7530506667
 Pt         9.7666462508        2.4175915427        6.8396714550
 Pt        12.5566790003        2.4182468021        6.7846795418
 Pt        15.3511817517        2.4172741469        6.7542704775
 Pt         2.7875559268        4.8315237449        6.7560107278
 Pt         5.5764143280        4.8300102212        6.8635159217
 Pt         8.3737562872        4.8375288762        6.7860075521
 Pt        11.1584634921        4.8366785613        6.7568483200
 Pt        13.9534501324        4.8314806914        6.8307425385
 Pt        16.7440299699        4.8324929831        6.7848793674
 Pt         4.1866370455        7.2481325524        6.7866110670
 Pt         6.9887724120        7.2454758497        6.7639436202
 Pt         9.7638187924        7.2482669225        6.7934733951
 Pt        12.5512347719        7.2467322817        6.7728504780
 Pt        15.3480770554        7.2485284869        6.7516843573
 Pt        18.1445423299        7.2479603270        6.8746311991
 Pt         5.5834695891        9.6629304361        6.8541174301
 Pt         8.3781932691        9.6612193114        6.7831501656
 Pt        11.1558952429        9.6620888103        6.7582736680
 Pt        13.9505349409        9.6640903267        6.8336926025
 Pt        16.7435557400        9.6655735739        6.7844296447
 Pt        19.5416484104        9.6655929121        6.7526937900
 Pt         6.9796799912       12.0811944822        6.7535300163
 Pt         9.7685224667       12.0809271770        6.8386517822
 Pt        12.5569856770       12.0799176599        6.7832711698
 Pt        15.3499822508       12.0820561214        6.7539670793
 Pt        18.1448847220       12.0827909599        6.8786657810
 Pt        20.9371936543       12.0830771125        6.7873141615
  O         1.3707024923        2.3900471372        9.4723378472
  H         1.8869088477        3.1909357959        9.7614911862
  H         1.9133284335        1.6016952028        9.7515341158
  O         2.7115848413        4.8348045752        9.9064803167
  H         2.6568074485        4.8375090752        8.9059757047
  H         3.6997000388        4.8237426131       10.0207562463
  O         5.4771197597        4.8246187776        9.4753839211
  H         5.9852616255        5.6343767673        9.7446771825
  H         6.0304761972        4.0479412668        9.7633208396
  O         6.9192977814        2.4462731958        9.9073325288
  H         6.8998961622        2.4393225507        8.9053701292
  H         7.9016383328        2.4288757072       10.0585505382
  O         5.5211978455        0.0002189726        9.4776908614
  H         6.0499180622        0.7943640267        9.7608157175
  H         6.0556856458       -0.7901856257        9.7591283383
  O         2.7485639841       -0.0038829386        9.9062025717
  H         2.6953601696       -0.0451672806        8.9063609171
  H         3.7360435031        0.0035225795       10.0240779018
  O         5.5101823311        9.6746227406        9.4787261447
  H         6.0542441862       10.4509802763        9.7768291768
  H         6.0132946102        8.8618058592        9.7451438750
  O         6.9199314220       12.1183110937        9.9047320197
  H         6.9078988456       12.0688267527        8.9030246440
  H         7.9012217835       12.1236647184       10.0622625829
  O         9.7187508864       12.0648624901        9.5607469055
  H        10.2519718991       12.8595797223        9.8324604831
  H        10.2468398272       11.2891670743        9.8544569764
  O        11.2817753573        9.4799051729        9.9138510081
  H        11.1462852318        9.6022849571        8.9205015639
  H        12.2953753746        9.5291731612        9.9599331479
  O        10.0951440636        7.2782540806        9.9312109390
  H         9.8696760149        7.2771508514        8.9258988927
  H        10.6926812457        8.1776281664       10.0380116338
  H        10.6627226061        6.3730138199       10.0418947623
  O         6.8528568906        7.2245425779        9.9238097480
  H         7.1211031470        7.2232691638        8.9564289678
  H         7.7071422301        7.2206096380       10.4030167704
  O         9.7149542909        2.3952457262        9.5572713081
  H        10.2443473009        3.1728697993        9.8426122200
  H        10.2467290516        1.5989413776        9.8316908989
  O        11.2418553312        5.0304526547        9.9165451277
  H        11.1143098417        4.9162282161        8.9227012644
  H        12.2499642997        4.9753156528        9.9738704734
  O        13.8954449704        4.8444707255        9.5694821251
  H        14.4506453368        5.6279069962        9.8291587614
  H        14.4033257428        4.0420123573        9.8610881458
  O        15.2969208643        2.3878373165        9.9066376188
  H        15.2673954581        2.4672502268        8.9075215338
  H        16.2795972527        2.3691326824       10.0478669021
  O        13.9232042269       -0.0002703731        9.4007316242
  H        14.4552700762        0.7942283853        9.6892228714
  H        14.4514828100       -0.7950933954        9.6947264975
  O        11.0942013932       -0.0019211663        9.9074025637
  H        11.0475174621        0.0125641696        8.9050942481
  H        12.0775607801       -0.0031443101       10.0330623974
  O        13.9184047084        9.6625436679        9.5607428980
  H        14.4303959907       10.4674035828        9.8483485423
  H        14.4700984167        8.8748689215        9.8245991605
  O        15.2976485548       12.0611327311        9.9095149483
  H        15.2567433524       12.0431627582        8.9081537140
  H        16.2814250663       12.0604951585       10.0427794087
  O        18.1221066603       12.0626238460        9.4737462346
  H        18.6423358057       12.8606403766        9.7600218946
  H        18.6584370718       11.2734652093        9.7613288096
  O        19.5027242928        9.6722236863        9.9027090996
  H        19.4624017292        9.6692750576        8.9003936565
  H        20.4895680631        9.6780833542       10.0287340071
  O        18.1213218279        7.2783316889        9.4753170008
  H        18.6586182996        8.0662188761        9.7632343810
  H        18.6384484016        6.4789915528        9.7665233175
  O        15.3020803955        7.2812500912        9.9085274026
  H        15.2515473483        7.2645514449        8.9069144205
  H        16.2882379526        7.2861867453       10.0317892501
