       4
 i =       0, E =      -17.5529837137
  O         0.0000280000       -0.0000870000       -0.0702900000
  H        -0.0649650000        0.9411200000        0.1873100000
  H         0.8478420000       -0.4140580000        0.1875320000
  H        -0.7831010000       -0.5263640000        0.1874770000
       4
 i =       1, E =      -17.5529772934
  O        -0.0014496233       -0.0030946301       -0.0722994552
  H        -0.0775282272        0.9428176263        0.2032200803
  H         0.8504497477       -0.4046678043        0.1819291646
  H        -0.7966770215       -0.5315045308        0.1864242389
       4
 i =       2, E =      -17.5526813794
  O        -0.0027502317       -0.0072841211       -0.0745454422
  H        -0.0900292932        0.9441393210        0.2187372214
  H         0.8520614936       -0.3948835412        0.1770028014
  H        -0.8057705902       -0.5396163612        0.1852165875
       4
 i =       3, E =      -17.5522025946
  O        -0.0030065732       -0.0116972581       -0.0763539920
  H        -0.1040901875        0.9403750425        0.2327043009
  H         0.8560691133       -0.3871772185        0.1714318124
  H        -0.8153110798       -0.5523736701        0.1854338573
       4
 i =       4, E =      -17.5517578213
  O        -0.0035433861       -0.0163688008       -0.0778747406
  H        -0.1132275282        0.9358320276        0.2412142908
  H         0.8650428606       -0.3792384498        0.1666808451
  H        -0.8220981383       -0.5637532892        0.1827833161
       4
 i =       5, E =      -17.5512226798
  O        -0.0046962583       -0.0205200142       -0.0789729800
  H        -0.1230200163        0.9272914877        0.2503194078
  H         0.8723460793       -0.3725103634        0.1627117340
  H        -0.8300042939       -0.5731809728        0.1807346948
       4
 i =       6, E =      -17.5510276963
  O        -0.0053249505       -0.0252276171       -0.0799870663
  H        -0.1294272156        0.9162655757        0.2565618486
  H         0.8817839706       -0.3657240842        0.1572462253
  H        -0.8322053559       -0.5781307732        0.1754642266
       4
 i =       7, E =      -17.5509695493
  O        -0.0049001305       -0.0290408174       -0.0817044880
  H        -0.1363133353        0.9058213809        0.2655384621
  H         0.8958256884       -0.3614493104        0.1549362235
  H        -0.8295745802       -0.5796489880        0.1694831330
       4
 i =       8, E =      -17.5505801937
  O        -0.0042252664       -0.0331647577       -0.0827227252
  H        -0.1430851108        0.8956194842        0.2712745170
  H         0.9151815647       -0.3575023615        0.1523568127
  H        -0.8262170587       -0.5798682862        0.1690835334
       4
 i =       9, E =      -17.5501009391
  O        -0.0048397028       -0.0375640585       -0.0838182579
  H        -0.1504554491        0.8837367895        0.2792221152
  H         0.9330494338       -0.3540599546        0.1492316047
  H        -0.8183242651       -0.5784232285        0.1670529463
       4
 i =      10, E =      -17.5494017016
  O        -0.0049151787       -0.0415772800       -0.0846021495
  H        -0.1573751834        0.8760832404        0.2891636346
  H         0.9477563853       -0.3525253941        0.1447084451
  H        -0.8081226018       -0.5762885951        0.1669639205
       4
 i =      11, E =      -17.5486420753
  O        -0.0048605500       -0.0456812980       -0.0862758978
  H        -0.1672381006        0.8684162014        0.2962348954
  H         0.9579117203       -0.3528268430        0.1398652705
  H        -0.7986638343       -0.5768316627        0.1687445334
       4
 i =      12, E =      -17.5478281962
  O        -0.0055062743       -0.0496753994       -0.0878814742
  H        -0.1740812127        0.8635441149        0.3002003544
  H         0.9654683565       -0.3513344744        0.1342952565
  H        -0.7868150301       -0.5763537795        0.1712001481
       4
 i =      13, E =      -17.5476291339
  O        -0.0060036184       -0.0520940568       -0.0887786194
  H        -0.1786677064        0.8577251260        0.3014337991
  H         0.9645296088       -0.3478309321        0.1254562068
  H        -0.7757806941       -0.5768483395        0.1738566834
       4
 i =      14, E =      -17.5478736938
  O        -0.0055792579       -0.0532377571       -0.0889235475
  H        -0.1800748498        0.8519082064        0.3027521538
  H         0.9618446687       -0.3452283064        0.1168350287
  H        -0.7668170442       -0.5822202578        0.1753270015
       4
 i =      15, E =      -17.5483011643
  O        -0.0052767187       -0.0545058915       -0.0895675441
  H        -0.1805518200        0.8441226482        0.3039263173
  H         0.9560323945       -0.3434355928        0.1076305776
  H        -0.7565535363       -0.5902524341        0.1749337602
       4
 i =      16, E =      -17.5490364500
  O        -0.0045716445       -0.0544316664       -0.0902591492
  H        -0.1825640451        0.8313746931        0.3022256552
  H         0.9478021160       -0.3437427115        0.0992724915
  H        -0.7524673935       -0.6015177025        0.1748402526
       4
 i =      17, E =      -17.5497721894
  O        -0.0037276484       -0.0538294848       -0.0901920492
  H        -0.1836997187        0.8234125508        0.2995278816
  H         0.9393238286       -0.3458640091        0.0942373085
  H        -0.7519522689       -0.6154338857        0.1757507701
       4
 i =      18, E =      -17.5500906733
  O        -0.0028287466       -0.0536894349       -0.0907796524
  H        -0.1854110607        0.8144927160        0.2991386444
  H         0.9303137508       -0.3490840642        0.0883898143
  H        -0.7561796369       -0.6299872354        0.1785468265
       4
 i =      19, E =      -17.5499267276
  O        -0.0019512707       -0.0529765470       -0.0902794464
  H        -0.1871967083        0.8060661018        0.2986129884
  H         0.9221389371       -0.3571851476        0.0821755827
  H        -0.7610348712       -0.6452967537        0.1813385252
       4
 i =      20, E =      -17.5498276729
  O        -0.0010412870       -0.0521643324       -0.0892775301
  H        -0.1906670374        0.8005839955        0.3032930960
  H         0.9150283100       -0.3657137578        0.0767999253
  H        -0.7608001915       -0.6619175227        0.1806795835
       4
 i =      21, E =      -17.5497912590
  O         0.0003728045       -0.0511354727       -0.0880310761
  H        -0.1931702961        0.7976234531        0.3086358718
  H         0.9066954154       -0.3778050090        0.0744389683
  H        -0.7583994449       -0.6774307716        0.1785764718
       4
 i =      22, E =      -17.5495785851
  O         0.0014667118       -0.0498928988       -0.0869258887
  H        -0.1962035176        0.7961865156        0.3157703433
  H         0.8956421300       -0.3917519476        0.0731610747
  H        -0.7559180408       -0.6918432298        0.1781182357
       4
 i =      23, E =      -17.5495480274
  O         0.0023812307       -0.0483425095       -0.0863249310
  H        -0.2006528629        0.7981288788        0.3228754873
  H         0.8893221551       -0.4068547077        0.0710449729
  H        -0.7502073165       -0.7058024005        0.1758864388
       4
 i =      24, E =      -17.5497571195
  O         0.0032379317       -0.0461897715       -0.0874332479
  H        -0.2044094413        0.8008671778        0.3275279943
  H         0.8898728303       -0.4193012028        0.0726768015
  H        -0.7390381517       -0.7175947958        0.1734355718
       4
 i =      25, E =      -17.5500187857
  O         0.0039844257       -0.0439093335       -0.0887971743
  H        -0.2049056337        0.8058962728        0.3334173333
  H         0.8907998590       -0.4342293509        0.0703191228
  H        -0.7232971067       -0.7263794833        0.1716733077
       4
 i =      26, E =      -17.5502623703
  O         0.0040523094       -0.0414999110       -0.0908893041
  H        -0.2060513358        0.8130536466        0.3395599495
  H         0.8875219434       -0.4495882255        0.0710567817
  H        -0.7030660366       -0.7331002398        0.1679657475
       4
 i =      27, E =      -17.5500489693
  O         0.0039769980       -0.0394423880       -0.0935111745
  H        -0.2084401238        0.8232513461        0.3510079069
  H         0.8829735635       -0.4650560294        0.0705978208
  H        -0.6779168593       -0.7406821375        0.1605565350
       4
 i =      28, E =      -17.5492062169
  O         0.0040908721       -0.0372707446       -0.0964483388
  H        -0.2074341708        0.8313615998        0.3626558134
  H         0.8713036469       -0.4780809810        0.0675836079
  H        -0.6532066872       -0.7476810160        0.1504845973
       4
 i =      29, E =      -17.5479552187
  O         0.0029113295       -0.0356988693       -0.0987943421
  H        -0.2021997940        0.8381841090        0.3785964333
  H         0.8609049857       -0.4865763624        0.0588571759
  H        -0.6312893594       -0.7530002009        0.1370122359
       4
 i =      30, E =      -17.5464379955
  O         0.0008628607       -0.0337376553       -0.1008144625
  H        -0.1936504197        0.8419417806        0.3922296220
  H         0.8512793557       -0.4922971478        0.0513136728
  H        -0.6127391726       -0.7611277064        0.1219964780
       4
 i =      31, E =      -17.5452775017
  O        -0.0021722548       -0.0315359698       -0.1018735471
  H        -0.1823403417        0.8434031607        0.4050101324
  H         0.8440850190       -0.4929212586        0.0461031565
  H        -0.6009397986       -0.7687900891        0.1075319531
       4
 i =      32, E =      -17.5444197678
  O        -0.0048193873       -0.0303022788       -0.1029413727
  H        -0.1669664371        0.8457613494        0.4141538970
  H         0.8361529491       -0.4903533473        0.0415665007
  H        -0.5962706803       -0.7767840840        0.0928406895
       4
 i =      33, E =      -17.5436595353
  O        -0.0083891342       -0.0280530760       -0.1044501030
  H        -0.1534144440        0.8461304563        0.4201399870
  H         0.8316090834       -0.4867216974        0.0370468223
  H        -0.5909065904       -0.7859341738        0.0775090623
       4
 i =      34, E =      -17.5435502894
  O        -0.0112317630       -0.0264311542       -0.1062688236
  H        -0.1380428087        0.8429960630        0.4244305689
  H         0.8336782584       -0.4786865695        0.0341900455
  H        -0.5869158955       -0.7999176924        0.0635436357
       4
 i =      35, E =      -17.5434236358
  O        -0.0130427569       -0.0251650429       -0.1077220734
  H        -0.1236079754        0.8372741093        0.4251717590
  H         0.8339645009       -0.4711985351        0.0331511349
  H        -0.5867883342       -0.8146996681        0.0478569514
       4
 i =      36, E =      -17.5434830864
  O        -0.0141877837       -0.0243303955       -0.1090502632
  H        -0.1050101565        0.8279418785        0.4231947560
  H         0.8356826299       -0.4647900144        0.0353990864
  H        -0.5931659347       -0.8275844128        0.0366092023
       4
 i =      37, E =      -17.5433980860
  O        -0.0155813930       -0.0238927216       -0.1096671658
  H        -0.0896036129        0.8168800055        0.4193558265
  H         0.8385338107       -0.4599682757        0.0366348907
  H        -0.6027642451       -0.8380690367        0.0248192083
       4
 i =      38, E =      -17.5432675272
  O        -0.0173441977       -0.0237477188       -0.1111250323
  H        -0.0770277019        0.8110473959        0.4151872752
  H         0.8441188956       -0.4539420515        0.0408574032
  H        -0.6159210645       -0.8454531910        0.0202152518
       4
 i =      39, E =      -17.5431573226
  O        -0.0181511670       -0.0237948342       -0.1122950049
  H        -0.0640055549        0.8027260942        0.4090682418
  H         0.8519596732       -0.4456162602        0.0419979228
  H        -0.6292116615       -0.8484626324        0.0147378568
       4
 i =      40, E =      -17.5431834661
  O        -0.0187174118       -0.0242101613       -0.1143269427
  H        -0.0544474720        0.7941387244        0.4069454029
  H         0.8649008372       -0.4354538981        0.0437693232
  H        -0.6394198770       -0.8487550042        0.0159846963
       4
 i =      41, E =      -17.5437412367
  O        -0.0196197933       -0.0259524214       -0.1163286164
  H        -0.0469096193        0.7870350133        0.4060619503
  H         0.8740990657       -0.4240417926        0.0419994717
  H        -0.6468784686       -0.8428829709        0.0180944240
       4
 i =      42, E =      -17.5444704741
  O        -0.0200798008       -0.0281803506       -0.1185167749
  H        -0.0379016288        0.7847977855        0.4052069345
  H         0.8807973380       -0.4128018437        0.0401309586
  H        -0.6551970353       -0.8330095947        0.0232257437
       4
 i =      43, E =      -17.5458876407
  O        -0.0204353260       -0.0308175867       -0.1202661428
  H        -0.0338690374        0.7867867573        0.4081124700
  H         0.8847983650       -0.3977586847        0.0357455519
  H        -0.6608298308       -0.8169658438        0.0282027242
       4
 i =      44, E =      -17.5470972178
  O        -0.0224878538       -0.0340848116       -0.1221193466
  H        -0.0319355985        0.7890002093        0.4146581140
  H         0.8884673219       -0.3858603119        0.0338010156
  H        -0.6660716759       -0.8001171298        0.0333587472
       4
 i =      45, E =      -17.5480658189
  O        -0.0242400407       -0.0368668608       -0.1235987299
  H        -0.0312148530        0.7890831646        0.4258327182
  H         0.8919175961       -0.3756307536        0.0321630220
  H        -0.6718315833       -0.7784492257        0.0386395385
       4
 i =      46, E =      -17.5487657337
  O        -0.0249754277       -0.0391384065       -0.1243374817
  H        -0.0323290300        0.7848727746        0.4349432431
  H         0.8946808860       -0.3670036577        0.0308233904
  H        -0.6817075366       -0.7563537330        0.0477599296
       4
 i =      47, E =      -17.5492038096
  O        -0.0248254481       -0.0409066996       -0.1251235847
  H        -0.0344407401        0.7754765264        0.4439738519
  H         0.8995047610       -0.3610464815        0.0305034244
  H        -0.6890172418       -0.7401111272        0.0578781275
       4
 i =      48, E =      -17.5496919292
  O        -0.0251796439       -0.0428534506       -0.1254485371
  H        -0.0405517792        0.7685232931        0.4501278004
  H         0.9050804238       -0.3592330985        0.0281681681
  H        -0.6995483897       -0.7236475640        0.0683602053
       4
 i =      49, E =      -17.5500621628
  O        -0.0254469608       -0.0444110489       -0.1253157278
  H        -0.0502930004        0.7608471130        0.4576526884
  H         0.9087632110       -0.3546931874        0.0219033914
  H        -0.7121849347       -0.7117171903        0.0768188676
       4
 i =      50, E =      -17.5503041674
  O        -0.0246178589       -0.0456988922       -0.1247846067
  H        -0.0628974476        0.7574221801        0.4662142850
  H         0.9127755180       -0.3526229139        0.0163855199
  H        -0.7244186411       -0.6976272154        0.0849587097
       4
 i =      51, E =      -17.5504220137
  O        -0.0240829447       -0.0457091363       -0.1248957994
  H        -0.0755250375        0.7559425401        0.4759074387
  H         0.9160231445       -0.3542688957        0.0082931703
  H        -0.7345136305       -0.6864864132        0.0920814986
       4
 i =      52, E =      -17.5505700666
  O        -0.0223792855       -0.0449388079       -0.1246931854
  H        -0.0902243015        0.7528174699        0.4781616378
  H         0.9169210577       -0.3587870361        0.0007030955
  H        -0.7470072544       -0.6765686379        0.1010174065
       4
 i =      53, E =      -17.5505324375
  O        -0.0207013003       -0.0444484834       -0.1250136533
  H        -0.1063992754        0.7509301813        0.4763767034
  H         0.9175395644       -0.3653467455       -0.0080724228
  H        -0.7538595553       -0.6666454566        0.1104531561
       4
 i =      54, E =      -17.5502363599
  O        -0.0194482127       -0.0432388522       -0.1255921692
  H        -0.1188822984        0.7468639528        0.4700255147
  H         0.9124196131       -0.3704313703       -0.0165343328
  H        -0.7605221102       -0.6530929387        0.1207093395
       4
 i =      55, E =      -17.5497212266
  O        -0.0177722975       -0.0410164664       -0.1257993747
  H        -0.1344512445        0.7414410731        0.4630654281
  H         0.9038080726       -0.3751227956       -0.0243553703
  H        -0.7629947699       -0.6401372352        0.1258384827
       4
 i =      56, E =      -17.5489344809
  O        -0.0164934703       -0.0389047626       -0.1250651019
  H        -0.1472350663        0.7391401769        0.4586091175
  H         0.8965503017       -0.3821646053       -0.0331703823
  H        -0.7661344471       -0.6279508895        0.1299967455
       4
 i =      57, E =      -17.5479598115
  O        -0.0155723327       -0.0373928631       -0.1246100917
  H        -0.1624948971        0.7417559989        0.4579928430
  H         0.8913078567       -0.3884079335       -0.0391958217
  H        -0.7693027990       -0.6172734486        0.1347119522
       4
 i =      58, E =      -17.5469020738
  O        -0.0140370197       -0.0354210200       -0.1248933946
  H        -0.1742711697        0.7454535035        0.4607174871
  H         0.8837195350       -0.3976716006       -0.0486021737
  H        -0.7714719753       -0.6081815169        0.1409473385
       4
 i =      59, E =      -17.5458182794
  O        -0.0126899417       -0.0350769215       -0.1256445495
  H        -0.1847300857        0.7549311435        0.4649622849
  H         0.8747748422       -0.4060709127       -0.0544341914
  H        -0.7724145187       -0.5975867669        0.1437073681
       4
 i =      60, E =      -17.5449472763
  O        -0.0116262833       -0.0341853580       -0.1274916752
  H        -0.1911737625        0.7656920308        0.4702678464
  H         0.8730626476       -0.4149755062       -0.0570161217
  H        -0.7674194822       -0.5889171753        0.1468220180
       4
 i =      61, E =      -17.5440925533
  O        -0.0097490580       -0.0335447751       -0.1303213020
  H        -0.1938985528        0.7770667419        0.4748383444
  H         0.8741753268       -0.4248160986       -0.0552749973
  H        -0.7648771517       -0.5777732350        0.1472907372
       4
 i =      62, E =      -17.5440053775
  O        -0.0076871158       -0.0318309086       -0.1319474256
  H        -0.1945897544        0.7814660316        0.4767774807
  H         0.8778008114       -0.4322653870       -0.0520002997
  H        -0.7631760856       -0.5724228348        0.1438427858
       4
 i =      63, E =      -17.5446189839
  O        -0.0065196669       -0.0298500361       -0.1333700358
  H        -0.1892752811        0.7850358645        0.4772211021
  H         0.8847719236       -0.4379679198       -0.0468124309
  H        -0.7592658990       -0.5746166014        0.1396963065
       4
 i =      64, E =      -17.5460248400
  O        -0.0072144858       -0.0287945417       -0.1345768288
  H        -0.1798565388        0.7840354903        0.4676671917
  H         0.8894631195       -0.4400276339       -0.0377496876
  H        -0.7605336128       -0.5807807290        0.1378019644
       4
 i =      65, E =      -17.5473614112
  O        -0.0090752216       -0.0276374849       -0.1350996731
  H        -0.1690612618        0.7816460635        0.4601812914
  H         0.8942992008       -0.4464706065       -0.0285769683
  H        -0.7604678862       -0.5924080228        0.1355130630
       4
 i =      66, E =      -17.5484892176
  O        -0.0112053108       -0.0255730446       -0.1354726036
  H        -0.1579096838        0.7791042049        0.4533414916
  H         0.8959182205       -0.4552057056       -0.0192720745
  H        -0.7639829412       -0.6034190003        0.1306197930
       4
 i =      67, E =      -17.5492412417
  O        -0.0131318851       -0.0231462762       -0.1355144600
  H        -0.1442124609        0.7746538154        0.4452378591
  H         0.8953586363       -0.4662628012       -0.0099201729
  H        -0.7658277156       -0.6143871173        0.1266735633
       4
 i =      68, E =      -17.5497277829
  O        -0.0153888617       -0.0201165623       -0.1354733173
  H        -0.1310244627        0.7723082958        0.4387777748
  H         0.8876791476       -0.4765845942       -0.0009068680
  H        -0.7692859109       -0.6292502346        0.1215227668
       4
 i =      69, E =      -17.5499146563
  O        -0.0175024629       -0.0178839888       -0.1352508009
  H        -0.1161883615        0.7735985104        0.4320471181
  H         0.8818193247       -0.4874065910        0.0055330987
  H        -0.7688789958       -0.6422175098        0.1123415845
       4
 i =      70, E =      -17.5503104675
  O        -0.0197384210       -0.0158906317       -0.1353221502
  H        -0.0998916669        0.7796927360        0.4282510551
  H         0.8728191398       -0.4942618207        0.0151257005
  H        -0.7627776664       -0.6540844306        0.0995887621
       4
 i =      71, E =      -17.5504167135
  O        -0.0213305374       -0.0131795638       -0.1357320438
  H        -0.0832383133        0.7835380320        0.4246213034
  H         0.8637203671       -0.4994479538        0.0245435793
  H        -0.7559151208       -0.6655019700        0.0812774166
       4
 i =      72, E =      -17.5504070442
  O        -0.0227310618       -0.0110559724       -0.1345716131
  H        -0.0674579477        0.7915233035        0.4234231711
  H         0.8541236882       -0.5036091733        0.0362308764
  H        -0.7503502800       -0.6741064511        0.0596379039
       4
 i =      73, E =      -17.5503137946
  O        -0.0234599259       -0.0091397793       -0.1342377507
  H        -0.0548631297        0.8043464749        0.4271992579
  H         0.8395328054       -0.5057187149        0.0443673021
  H        -0.7448723723       -0.6817420300        0.0375666909
       4
 i =      74, E =      -17.5497066704
  O        -0.0247034298       -0.0082568829       -0.1342625385
  H        -0.0416731584        0.8153009947        0.4266882909
  H         0.8234590628       -0.5039072495        0.0527577629
  H        -0.7407483820       -0.6901496516        0.0157777191
       4
 i =      75, E =      -17.5487755868
  O        -0.0246152937       -0.0066703066       -0.1343977367
  H        -0.0349900836        0.8258656554        0.4253225828
  H         0.8092096571       -0.4997405050        0.0581778989
  H        -0.7356286125       -0.6975959760       -0.0041148323
       4
 i =      76, E =      -17.5477037800
  O        -0.0257065863       -0.0050960821       -0.1338037510
  H        -0.0304253130        0.8359596923        0.4239265598
  H         0.7959877097       -0.4950202396        0.0615799930
  H        -0.7295083059       -0.7008660510       -0.0253765638
       4
 i =      77, E =      -17.5465799234
  O        -0.0267900035       -0.0035717486       -0.1330317116
  H        -0.0280046381        0.8447129892        0.4208228304
  H         0.7884741924       -0.4912507100        0.0628064430
  H        -0.7180111747       -0.7029002185       -0.0480578974
       4
 i =      78, E =      -17.5454468915
  O        -0.0281805380       -0.0019832038       -0.1320662507
  H        -0.0254562062        0.8483599064        0.4162065181
  H         0.7826145802       -0.4894460872        0.0658164205
  H        -0.7062493924       -0.7047796462       -0.0684502245
       4
 i =      79, E =      -17.5444284888
  O        -0.0289897859       -0.0007805536       -0.1314549575
  H        -0.0240299535        0.8482378252        0.4105660175
  H         0.7771479036       -0.4848354133        0.0678366301
  H        -0.6987364539       -0.7071732922       -0.0862352932
       4
 i =      80, E =      -17.5435446866
  O        -0.0300068995       -0.0004477556       -0.1302172234
  H        -0.0224436187        0.8458565399        0.4047830046
  H         0.7729718153       -0.4815119237        0.0699273885
  H        -0.6925135244       -0.7012740443       -0.1044793118
       4
 i =      81, E =      -17.5431362491
  O        -0.0315034190        0.0000315616       -0.1292538480
  H        -0.0243863206        0.8469537534        0.4000117797
  H         0.7730982453       -0.4755658845        0.0741747888
  H        -0.6930355096       -0.6938350144       -0.1177398658
       4
 i =      82, E =      -17.5438271330
  O        -0.0324099502        0.0003526288       -0.1287085894
  H        -0.0285169913        0.8441077814        0.3970701729
  H         0.7833205445       -0.4713628905        0.0756713359
  H        -0.6977541859       -0.6855804246       -0.1333206192
       4
 i =      83, E =      -17.5445636522
  O        -0.0325832880        0.0007428347       -0.1280237226
  H        -0.0359765657        0.8350797955        0.3928022290
  H         0.7918035272       -0.4649386019        0.0740622805
  H        -0.7059695100       -0.6730488406       -0.1482355698
       4
 i =      84, E =      -17.5453843152
  O        -0.0330438895        0.0006014827       -0.1277019374
  H        -0.0457314341        0.8258620626        0.3878335259
  H         0.8020211102       -0.4602454249        0.0710177420
  H        -0.7176121671       -0.6616290200       -0.1590577599
       4
 i =      85, E =      -17.5462745987
  O        -0.0323296840        0.0007192350       -0.1273985586
  H        -0.0582478308        0.8180160029        0.3826956570
  H         0.8120098297       -0.4513412001        0.0673429351
  H        -0.7362556083       -0.6525941614       -0.1699989293
       4
 i =      86, E =      -17.5470732487
  O        -0.0307371351        0.0007861890       -0.1281491326
  H        -0.0714530454        0.8120667813        0.3754457914
  H         0.8272182584       -0.4447085801        0.0626669225
  H        -0.7552564916       -0.6440866255       -0.1827133413
       4
 i =      87, E =      -17.5474205971
  O        -0.0294776988        0.0002491576       -0.1284455950
  H        -0.0860199204        0.8104101372        0.3673316091
  H         0.8450498485       -0.4417504020        0.0603871823
  H        -0.7733438966       -0.6364267046       -0.1945867141
       4
 i =      88, E =      -17.5474780487
  O        -0.0284062703       -0.0012727012       -0.1283906697
  H        -0.1018176147        0.8136894514        0.3570523662
  H         0.8579670995       -0.4412777943        0.0625913873
  H        -0.7908151586       -0.6312166049       -0.2067803870
       4
 i =      89, E =      -17.5477746051
  O        -0.0276526073       -0.0022535043       -0.1292844465
  H        -0.1216609144        0.8223858490        0.3499431754
  H         0.8679084963       -0.4393559445        0.0626392892
  H        -0.8082526767       -0.6239795059       -0.2144821251
       4
 i =      90, E =      -17.5480412382
  O        -0.0261908991       -0.0031599938       -0.1307818414
  H        -0.1415205537        0.8298307950        0.3460072090
  H         0.8738872325       -0.4366054511        0.0633607806
  H        -0.8237061705       -0.6144351708       -0.2208089630
       4
 i =      91, E =      -17.5482929603
  O        -0.0259217624       -0.0042356042       -0.1321902863
  H        -0.1594635740        0.8367431705        0.3441155023
  H         0.8779265073       -0.4344150266        0.0606707302
  H        -0.8350852446       -0.6014384631       -0.2238002244
       4
 i =      92, E =      -17.5482554217
  O        -0.0258648499       -0.0049947522       -0.1337727286
  H        -0.1788665519        0.8422157193        0.3427588787
  H         0.8836978674       -0.4338534315        0.0588975071
  H        -0.8438284321       -0.5871448913       -0.2260100381
       4
 i =      93, E =      -17.5484866612
  O        -0.0251530737       -0.0060011479       -0.1357219879
  H        -0.1931318385        0.8494800323        0.3407930650
  H         0.8855613067       -0.4330276624        0.0572226580
  H        -0.8465442921       -0.5714961547       -0.2230415217
       4
 i =      94, E =      -17.5484625037
  O        -0.0242256885       -0.0071989328       -0.1367307076
  H        -0.2124912782        0.8560362608        0.3377308224
  H         0.8857259738       -0.4334729022        0.0522327918
  H        -0.8466293735       -0.5558390646       -0.2209914923
       4
 i =      95, E =      -17.5485160451
  O        -0.0229165804       -0.0078704630       -0.1374808586
  H        -0.2277697770        0.8579798066        0.3320978092
  H         0.8821889143       -0.4367093528        0.0458613036
  H        -0.8451779922       -0.5416189595       -0.2157850452
       4
 i =      96, E =      -17.5483169257
  O        -0.0210937138       -0.0087300628       -0.1380197073
  H        -0.2436101491        0.8566327181        0.3293411408
  H         0.8767705972       -0.4376728849        0.0410820329
  H        -0.8420262085       -0.5284451557       -0.2141085804
       4
 i =      97, E =      -17.5482653868
  O        -0.0190651953       -0.0095994415       -0.1392080245
  H        -0.2590690576        0.8550326256        0.3275928980
  H         0.8667366880       -0.4351326352        0.0330147302
  H        -0.8399700332       -0.5224975296       -0.2130077071
       4
 i =      98, E =      -17.5477559570
  O        -0.0170699129       -0.0105718564       -0.1403506084
  H        -0.2729943880        0.8526272937        0.3242905892
  H         0.8544235014       -0.4344030172        0.0272258718
  H        -0.8360818616       -0.5162488499       -0.2124682987
       4
 i =      99, E =      -17.5472936788
  O        -0.0149130565       -0.0108084773       -0.1415508993
  H        -0.2838196141        0.8487202740        0.3254736110
  H         0.8412113392       -0.4341444390        0.0235767669
  H        -0.8357891630       -0.5155048691       -0.2120759308
       4
 i =     100, E =      -17.5468518310
  O        -0.0125222068       -0.0111769794       -0.1434166740
  H        -0.2923493729        0.8422227316        0.3282350611
  H         0.8333732384       -0.4352714936        0.0189222733
  H        -0.8362806961       -0.5178803799       -0.2133962423
       4
 i =     101, E =      -17.5469290936
  O        -0.0102725875       -0.0109571325       -0.1461034877
  H        -0.2958647414        0.8362094542        0.3294689256
  H         0.8302000236       -0.4379659506        0.0180938059
  H        -0.8355030715       -0.5223245511       -0.2169023658
       4
 i =     102, E =      -17.5473807435
  O        -0.0091083393       -0.0103233402       -0.1477434750
  H        -0.2941753451        0.8306241412        0.3300250584
  H         0.8272480832       -0.4420875190        0.0177052800
  H        -0.8364646123       -0.5278294565       -0.2205836104
       4
 i =     103, E =      -17.5481931173
  O        -0.0090478135       -0.0089711010       -0.1492101602
  H        -0.2884838851        0.8272670886        0.3305254894
  H         0.8245400983       -0.4428392027        0.0215897685
  H        -0.8344722776       -0.5343064484       -0.2252165794
       4
 i =     104, E =      -17.5491152696
  O        -0.0098885637       -0.0074637234       -0.1497287838
  H        -0.2846278495        0.8218301012        0.3300255923
  H         0.8276645760       -0.4467107573        0.0243817617
  H        -0.8383665090       -0.5429924251       -0.2314674602
       4
 i =     105, E =      -17.5498985696
  O        -0.0107882290       -0.0063111273       -0.1507902747
  H        -0.2789506682        0.8188748415        0.3291075642
  H         0.8324630755       -0.4543368456        0.0290908997
  H        -0.8400167122       -0.5513898806       -0.2397356009
       4
 i =     106, E =      -17.5504409124
  O        -0.0114355148       -0.0048443019       -0.1520299019
  H        -0.2714690413        0.8133603552        0.3280401329
  H         0.8342084125       -0.4623698392        0.0342778477
  H        -0.8392050668       -0.5564459924       -0.2433898950
       4
 i =     107, E =      -17.5509089866
  O        -0.0120108041       -0.0029791541       -0.1538624124
  H        -0.2624372738        0.8081835359        0.3295146835
  H         0.8387600479       -0.4675541054        0.0378735518
  H        -0.8341498892       -0.5636534161       -0.2470012123
       4
 i =     108, E =      -17.5511703315
  O        -0.0139705976       -0.0020377206       -0.1556570750
  H        -0.2517213148        0.8035977348        0.3316338884
  H         0.8435566852       -0.4765441351        0.0422984855
  H        -0.8287879103       -0.5736260726       -0.2517221726
       4
 i =     109, E =      -17.5510563048
  O        -0.0165058846       -0.0019078737       -0.1568700671
  H        -0.2413884204        0.8007785678        0.3328905497
  H         0.8455648478       -0.4896696354        0.0483636858
  H        -0.8253959804       -0.5856458158       -0.2599722796
       4
 i =     110, E =      -17.5510965719
  O        -0.0184590916       -0.0022476859       -0.1583383410
  H        -0.2320952358        0.7974465287        0.3381575180
  H         0.8433937732       -0.5001026476        0.0544831687
  H        -0.8184773329       -0.5925566185       -0.2720556503
       4
 i =     111, E =      -17.5514763427
  O        -0.0202468145       -0.0022940361       -0.1597674766
  H        -0.2196308815        0.7985506518        0.3465967918
  H         0.8367634066       -0.5076327026        0.0605870819
  H        -0.8109943659       -0.5981990576       -0.2832431379
       4
 i =     112, E =      -17.5517346795
  O        -0.0218161764       -0.0032850745       -0.1606443495
  H        -0.2104065939        0.8009909704        0.3556974223
  H         0.8321504598       -0.5124897187        0.0665564380
  H        -0.8040583164       -0.5991080253       -0.2982798940
       4
 i =     113, E =      -17.5520062928
  O        -0.0231527345       -0.0052303200       -0.1622517396
  H        -0.2029494704        0.8085290729        0.3642650693
  H         0.8259021236       -0.5134809923        0.0684088773
  H        -0.7934829555       -0.5925414842       -0.3153163780
       4
 i =     114, E =      -17.5519811659
  O        -0.0234474560       -0.0078436486       -0.1641642079
  H        -0.1942568954        0.8126045253        0.3697621920
  H         0.8156906143       -0.5182991254        0.0705728058
  H        -0.7865067556       -0.5888036041       -0.3346092249
       4
 i =     115, E =      -17.5518631408
  O        -0.0238959200       -0.0093517363       -0.1659011429
  H        -0.1860776403        0.8167066940        0.3755850776
  H         0.8027320774       -0.5212065389        0.0735861013
  H        -0.7787958809       -0.5873753247       -0.3493266677
       4
 i =     116, E =      -17.5517171749
  O        -0.0243409493       -0.0105724922       -0.1676650261
  H        -0.1803273265        0.8201949195        0.3795922815
  H         0.7893205009       -0.5273647431        0.0754220538
  H        -0.7772758985       -0.5879786564       -0.3662838402
       4
 i =     117, E =      -17.5516859451
  O        -0.0237836103       -0.0111151521       -0.1700854498
  H        -0.1754325173        0.8230518615        0.3834808094
  H         0.7806914502       -0.5333563514        0.0819113687
  H        -0.7826864594       -0.5861830571       -0.3778874250
       4
 i =     118, E =      -17.5515156827
  O        -0.0233901227       -0.0118819256       -0.1724958410
  H        -0.1704660120        0.8251124427        0.3903319787
  H         0.7708944080       -0.5409265832        0.0879880373
  H        -0.7930467540       -0.5868255825       -0.3863474825
       4
 i =     119, E =      -17.5512987110
  O        -0.0218436562       -0.0112060469       -0.1754941727
  H        -0.1678735399        0.8252036564        0.3944583506
  H         0.7628863898       -0.5494019602        0.0915774042
  H        -0.8023869618       -0.5869715644       -0.3959536311
       4
 i =     120, E =      -17.5509642686
  O        -0.0200782740       -0.0097500335       -0.1794229438
  H        -0.1621167172        0.8237621600        0.4021163747
  H         0.7540782296       -0.5533677078        0.0954300083
  H        -0.8079592450       -0.5848659116       -0.4034211615
       4
 i =     121, E =      -17.5507706871
  O        -0.0180987610       -0.0078141901       -0.1831234427
  H        -0.1574370501        0.8211213755        0.4024890467
  H         0.7491274660       -0.5563789467        0.1011765543
  H        -0.8105858505       -0.5862591766       -0.4105516127
       4
 i =     122, E =      -17.5505867513
  O        -0.0158226385       -0.0063017932       -0.1869649005
  H        -0.1509298747        0.8137781950        0.4023444218
  H         0.7447175922       -0.5592312057        0.1064403140
  H        -0.8142355372       -0.5883878442       -0.4183708575
       4
 i =     123, E =      -17.5501856246
  O        -0.0144177531       -0.0045099256       -0.1904893898
  H        -0.1430860371        0.8097624711        0.4040269139
  H         0.7420256750       -0.5599381969        0.1115751817
  H        -0.8198628601       -0.5873128645       -0.4247782645
       4
 i =     124, E =      -17.5498894285
  O        -0.0126318839       -0.0023285522       -0.1932587786
  H        -0.1356625281        0.8036327648        0.4036849496
  H         0.7359705017       -0.5597555170        0.1176552262
  H        -0.8246874516       -0.5832140082       -0.4323522789
       4
 i =     125, E =      -17.5499660310
  O        -0.0108276184       -0.0003091555       -0.1959747967
  H        -0.1277341953        0.7945336436        0.3969236992
  H         0.7256594245       -0.5616404962        0.1257893542
  H        -0.8251934899       -0.5742065946       -0.4369346516
       4
 i =     126, E =      -17.5499575808
  O        -0.0076494096        0.0022277773       -0.1993937279
  H        -0.1198518372        0.7873717478        0.3919608323
  H         0.7186297361       -0.5606488893        0.1324652648
  H        -0.8246547674       -0.5613394988       -0.4416903415
       4
 i =     127, E =      -17.5497414058
  O        -0.0043015299        0.0044890404       -0.2023690002
  H        -0.1090554694        0.7810346004        0.3845545576
  H         0.7131831347       -0.5568051822        0.1374200824
  H        -0.8235655405       -0.5480778263       -0.4454028797
       4
 i =     128, E =      -17.5495249781
  O        -0.0023069820        0.0063700145       -0.2051830237
  H        -0.0985509045        0.7730281428        0.3793722977
  H         0.7117025337       -0.5509817959        0.1446304225
  H        -0.8185271616       -0.5246993357       -0.4509530613
       4
 i =     129, E =      -17.5490033153
  O        -0.0003708208        0.0084755342       -0.2084562659
  H        -0.0908443647        0.7638374010        0.3763125838
  H         0.7099446201       -0.5471053671        0.1470218375
  H        -0.8140567951       -0.5041730376       -0.4556969244
       4
 i =     130, E =      -17.5483800954
  O         0.0011779498        0.0089669388       -0.2123516235
  H        -0.0838897770        0.7541930162        0.3756958829
  H         0.7067801570       -0.5471488799        0.1522675908
  H        -0.8095223543       -0.4840348896       -0.4627257137
       4
 i =     131, E =      -17.5479355474
  O         0.0030625144        0.0087450256       -0.2167435396
  H        -0.0805774588        0.7460389756        0.3781823655
  H         0.7063544458       -0.5481094339        0.1583170832
  H        -0.8045508734       -0.4638424539       -0.4675029173
       4
 i =     132, E =      -17.5476573437
  O         0.0045806257        0.0086213764       -0.2212745438
  H        -0.0767771163        0.7430116085        0.3823693948
  H         0.7051254570       -0.5509640864        0.1652292874
  H        -0.8010375600       -0.4507393535       -0.4722119858
       4
 i =     133, E =      -17.5479310522
  O         0.0060693761        0.0082452951       -0.2257997579
  H        -0.0756813425        0.7451729501        0.3874934763
  H         0.7025561083       -0.5605347752        0.1683131031
  H        -0.8004504759       -0.4418460108       -0.4760916116
       4
 i =     134, E =      -17.5483259611
  O         0.0091173249        0.0079193111       -0.2300556251
  H        -0.0788632757        0.7487277082        0.3931598063
  H         0.6972834154       -0.5685247074        0.1720187109
  H        -0.7992897975       -0.4358078964       -0.4816508289
       4
 i =     135, E =      -17.5485600444
  O         0.0119280472        0.0086717710       -0.2335479182
  H        -0.0833142941        0.7518462265        0.4000595935
  H         0.6924923385       -0.5774251988        0.1758684956
  H        -0.7975189026       -0.4309717889       -0.4838203222
       4
 i =     136, E =      -17.5490069174
  O         0.0148437728        0.0097454752       -0.2369715238
  H        -0.0890979513        0.7531838867        0.4056517946
  H         0.6895614105       -0.5890163579        0.1775885376
  H        -0.8002226171       -0.4264354800       -0.4877035275
       4
 i =     137, E =      -17.5493957202
  O         0.0175778101        0.0103978088       -0.2390497735
  H        -0.0975829008        0.7574881479        0.4111843456
  H         0.6864294819       -0.6061332303        0.1754894449
  H        -0.8014897207       -0.4227862565       -0.4930777701
       4
 i =     138, E =      -17.5496763534
  O         0.0197830377        0.0119526426       -0.2409362567
  H        -0.1067093549        0.7618722499        0.4143703060
  H         0.6814397254       -0.6241129398        0.1720849117
  H        -0.8066305810       -0.4158337884       -0.5006015311
       4
 i =     139, E =      -17.5499915288
  O         0.0212207958        0.0134516444       -0.2420445739
  H        -0.1130668550        0.7636191396        0.4158523214
  H         0.6766977888       -0.6434263875        0.1654221270
  H        -0.8161986332       -0.4095124912       -0.5080340200
       4
 i =     140, E =      -17.5502336473
  O         0.0235950630        0.0146760109       -0.2430479835
  H        -0.1213458575        0.7658241616        0.4128810145
  H         0.6697372024       -0.6591982262        0.1589156367
  H        -0.8290568175       -0.4056164120       -0.5160159032
       4
 i =     141, E =      -17.5501651667
  O         0.0264703496        0.0154814377       -0.2436241311
  H        -0.1303581105        0.7670944636        0.4089825956
  H         0.6650570455       -0.6706512935        0.1554384917
  H        -0.8405660020       -0.4047244868       -0.5200806717
       4
 i =     142, E =      -17.5499485255
  O         0.0287263677        0.0161697359       -0.2431808275
  H        -0.1425501590        0.7679468803        0.4034722671
  H         0.6605669898       -0.6787083485        0.1531164942
  H        -0.8500961189       -0.4032261571       -0.5225304792
       4
 i =     143, E =      -17.5497038002
  O         0.0308076988        0.0168496015       -0.2430733044
  H        -0.1518352015        0.7668953966        0.3992392172
  H         0.6523956900       -0.6885966837        0.1506401895
  H        -0.8559535887       -0.3990439063       -0.5254327255
       4
 i =     144, E =      -17.5496296760
  O         0.0323704548        0.0169443381       -0.2427395026
  H        -0.1632083779        0.7665562713        0.3948448098
  H         0.6387181438       -0.6952604796        0.1467969282
  H        -0.8595853516       -0.3923990444       -0.5261889692
       4
 i =     145, E =      -17.5496538721
  O         0.0340201670        0.0168339831       -0.2432322723
  H        -0.1712607255        0.7660915610        0.3902717033
  H         0.6273028074       -0.6979577077        0.1476821662
  H        -0.8597184087       -0.3873070127       -0.5294102630
       4
 i =     146, E =      -17.5496518056
  O         0.0351761683        0.0161447563       -0.2444205707
  H        -0.1816256066        0.7615664947        0.3875199837
  H         0.6156011019       -0.6989894775        0.1486374766
  H        -0.8585658367       -0.3867662200       -0.5350181971
       4
 i =     147, E =      -17.5497008495
  O         0.0357952611        0.0149157340       -0.2442983092
  H        -0.1931772469        0.7578343493        0.3845718105
  H         0.6030206148       -0.6956304766        0.1472760494
  H        -0.8527619044       -0.3863233780       -0.5369886395
       4
 i =     148, E =      -17.5494907083
  O         0.0363906955        0.0141354657       -0.2447914655
  H        -0.2059822230        0.7502805710        0.3822912891
  H         0.5883027277       -0.6924008231        0.1454080015
  H        -0.8481308752       -0.3830829791       -0.5397881186
       4
 i =     149, E =      -17.5490905114
  O         0.0368334237        0.0131630289       -0.2453824322
  H        -0.2151972502        0.7440113964        0.3783818225
  H         0.5784579508       -0.6879039124        0.1443988571
  H        -0.8426346164       -0.3800234115       -0.5402101423
       4
 i =     150, E =      -17.5485436535
  O         0.0371428807        0.0120194236       -0.2468886660
  H        -0.2228077639        0.7407872631        0.3762672708
  H         0.5700306078       -0.6849440354        0.1385564510
  H        -0.8397566548       -0.3776907625       -0.5415917229
       4
 i =     151, E =      -17.5484447534
  O         0.0377349197        0.0111862936       -0.2481677015
  H        -0.2253105394        0.7358028504        0.3783448220
  H         0.5679368376       -0.6858624966        0.1329113871
  H        -0.8371408743       -0.3716163897       -0.5464898207
       4
 i =     152, E =      -17.5486787667
  O         0.0385231153        0.0103476692       -0.2502873105
  H        -0.2277612260        0.7313201384        0.3808207424
  H         0.5696395919       -0.6890798409        0.1329503974
  H        -0.8335479093       -0.3668058599       -0.5489484159
       4
 i =     153, E =      -17.5492037617
  O         0.0384590507        0.0089758201       -0.2521468682
  H        -0.2320023463        0.7243873580        0.3823694554
  H         0.5724471060       -0.7002417784        0.1395598567
  H        -0.8261678386       -0.3636249323       -0.5506673297
       4
 i =     154, E =      -17.5494885771
  O         0.0378670304        0.0081493079       -0.2535062292
  H        -0.2360657321        0.7146200885        0.3850467776
  H         0.5799019263       -0.7165223804        0.1482720982
  H        -0.8188212511       -0.3617338551       -0.5513200778
       4
 i =     155, E =      -17.5491503158
  O         0.0369064992        0.0076209659       -0.2547950119
  H        -0.2389872219        0.7046309926        0.3877338550
  H         0.5848516138       -0.7351985624        0.1606450143
  H        -0.8119485213       -0.3606095073       -0.5540952724
       4
 i =     156, E =      -17.5484784035
  O         0.0355617080        0.0069121775       -0.2560557595
  H        -0.2426376371        0.6924957994        0.3900887336
  H         0.5836888871       -0.7521018908        0.1696866679
  H        -0.8054486015       -0.3641652375       -0.5601031602
       4
 i =     157, E =      -17.5479374418
  O         0.0348194427        0.0065158997       -0.2572077478
  H        -0.2451669988        0.6833759669        0.3935372929
  H         0.5782451056       -0.7673368271        0.1794256424
  H        -0.8022000489       -0.3677018763       -0.5700284828
       4
 i =     158, E =      -17.5482692845
  O         0.0346568207        0.0053291747       -0.2580042371
  H        -0.2414928091        0.6771593971        0.4005868641
  H         0.5696365428       -0.7783506444        0.1844171723
  H        -0.8042195479       -0.3746153110       -0.5822411741
       4
 i =     159, E =      -17.5490741228
  O         0.0344655242        0.0034152902       -0.2580730228
  H        -0.2341175525        0.6745522747        0.4067922233
  H         0.5553667155       -0.7845038412        0.1858384669
  H        -0.8096049517       -0.3808399648       -0.5980462217
       4
 i =     160, E =      -17.5497852774
  O         0.0337577608        0.0021602767       -0.2581125983
  H        -0.2219252130        0.6738242773        0.4146187852
  H         0.5400371472       -0.7881081341        0.1836149326
  H        -0.8152139732       -0.3880684331       -0.6142275866
       4
 i =     161, E =      -17.5502211833
  O         0.0325637332       -0.0006836142       -0.2574739361
  H        -0.2061627462        0.6749984940        0.4223369551
  H         0.5250676225       -0.7940172204        0.1797237555
  H        -0.8151348510       -0.3946829618       -0.6318059166
       4
 i =     162, E =      -17.5505633694
  O         0.0312779537       -0.0038321656       -0.2574571286
  H        -0.1916190340        0.6771562287        0.4286047333
  H         0.5127951282       -0.7964757653        0.1742535605
  H        -0.8121861907       -0.4031078870       -0.6441148125
       4
 i =     163, E =      -17.5509437114
  O         0.0302071641       -0.0080054001       -0.2571603055
  H        -0.1792903081        0.6815771325        0.4330224920
  H         0.4986998051       -0.7966181675        0.1691393472
  H        -0.8051324388       -0.4113414837       -0.6541848162
       4
 i =     164, E =      -17.5511170325
  O         0.0296726502       -0.0118874094       -0.2568505567
  H        -0.1648760851        0.6856303997        0.4340458980
  H         0.4857480498       -0.7948176896        0.1657292976
  H        -0.7942275633       -0.4192175304       -0.6668186297
       4
 i =     165, E =      -17.5509114238
  O         0.0295409368       -0.0164758471       -0.2573257957
  H        -0.1515767604        0.6893207326        0.4329067993
  H         0.4703675133       -0.7870035528        0.1606731955
  H        -0.7816049060       -0.4272031659       -0.6818066147
       4
 i =     166, E =      -17.5500783493
  O         0.0285455917       -0.0203913729       -0.2573685941
  H        -0.1417143555        0.6896719340        0.4313283552
  H         0.4543816766       -0.7808576703        0.1590122157
  H        -0.7652445660       -0.4339537136       -0.7004381869
       4
 i =     167, E =      -17.5487635405
  O         0.0281555349       -0.0238862421       -0.2581598074
  H        -0.1334840122        0.6856398556        0.4258656722
  H         0.4399011563       -0.7747330613        0.1574437078
  H        -0.7481152305       -0.4430873264       -0.7147945612
       4
 i =     168, E =      -17.5473095080
  O         0.0276818267       -0.0273570652       -0.2590591963
  H        -0.1285551054        0.6814510022        0.4190446791
  H         0.4272072850       -0.7708475281        0.1528626304
  H        -0.7354685018       -0.4487752931       -0.7263165751
       4
 i =     169, E =      -17.5462539618
  O         0.0286518624       -0.0309327349       -0.2599348004
  H        -0.1254290095        0.6752279424        0.4109931642
  H         0.4205242759       -0.7714804006        0.1483029913
  H        -0.7249500009       -0.4502848608       -0.7370522919
       4
 i =     170, E =      -17.5453343967
  O         0.0299477387       -0.0337347493       -0.2609685853
  H        -0.1216515441        0.6726940720        0.4015075751
  H         0.4186861458       -0.7715884594        0.1428940187
  H        -0.7193121956       -0.4531167346       -0.7452848853
       4
 i =     171, E =      -17.5452645895
  O         0.0301206381       -0.0366085597       -0.2615307588
  H        -0.1213464137        0.6708516562        0.3903574659
  H         0.4208128786       -0.7772334661        0.1430901543
  H        -0.7151332273       -0.4581993533       -0.7531720991
       4
 i =     172, E =      -17.5458755240
  O         0.0297310790       -0.0404500621       -0.2610171579
  H        -0.1221412110        0.6718083464        0.3787220237
  H         0.4301895313       -0.7873744824        0.1460379637
  H        -0.7124562716       -0.4642959500       -0.7596881958
       4
 i =     173, E =      -17.5466512579
  O         0.0287811607       -0.0427904942       -0.2606489342
  H        -0.1208766525        0.6755851021        0.3708885803
  H         0.4412413082       -0.8008410321        0.1485130848
  H        -0.7135109047       -0.4637465831       -0.7692827023
       4
 i =     174, E =      -17.5472860175
  O         0.0282642140       -0.0455604916       -0.2610959579
  H        -0.1184709187        0.6817752236        0.3632774294
  H         0.4517480810       -0.8110329785        0.1495398369
  H        -0.7158549105       -0.4605656888       -0.7817431282
       4
 i =     175, E =      -17.5479756162
  O         0.0274896855       -0.0485479537       -0.2619445993
  H        -0.1192941313        0.6929228464        0.3584792590
  H         0.4626700800       -0.8208143583        0.1506659089
  H        -0.7167459110       -0.4514388188       -0.7937904995
       4
 i =     176, E =      -17.5482542442
  O         0.0278814364       -0.0507165417       -0.2630395746
  H        -0.1213300107        0.7010226735        0.3539570200
  H         0.4709860406       -0.8262726238        0.1481473252
  H        -0.7137730661       -0.4418730502       -0.8062706771
       4
 i =     177, E =      -17.5485777804
  O         0.0284805116       -0.0533759134       -0.2644441387
  H        -0.1263560153        0.7077368744        0.3465830091
  H         0.4807103261       -0.8323911127        0.1446625493
  H        -0.7131801906       -0.4310606193       -0.8154080531
       4
 i =     178, E =      -17.5488216195
  O         0.0287526380       -0.0557846564       -0.2660065633
  H        -0.1297458532        0.7142910641        0.3417877535
  H         0.4916820455       -0.8351179981        0.1413145019
  H        -0.7136987492       -0.4209614067       -0.8251217272
       4
 i =     179, E =      -17.5489753344
  O         0.0295947772       -0.0584483665       -0.2677034094
  H        -0.1328359432        0.7204430094        0.3360905648
  H         0.5020989970       -0.8351134011        0.1402122042
  H        -0.7172932378       -0.4147007499       -0.8336531784
       4
 i =     180, E =      -17.5491527003
  O         0.0300589697       -0.0610333758       -0.2688473173
  H        -0.1373271733        0.7211299507        0.3295076849
  H         0.5095464149       -0.8328255437        0.1353878795
  H        -0.7193445132       -0.4095144900       -0.8461821091
       4
 i =     181, E =      -17.5495343161
  O         0.0313498109       -0.0628758066       -0.2697195535
  H        -0.1443757351        0.7224994074        0.3239464315
  H         0.5101741871       -0.8262536353        0.1295830929
  H        -0.7207183457       -0.4030983917       -0.8557609779
       4
 i =     182, E =      -17.5500120279
  O         0.0324152897       -0.0654512367       -0.2702820992
  H        -0.1551397144        0.7238095086        0.3168558345
  H         0.5093732840       -0.8140584824        0.1219712036
  H        -0.7228620452       -0.3964114192       -0.8612497767
       4
 i =     183, E =      -17.5503855935
  O         0.0343737741       -0.0676115353       -0.2703682720
  H        -0.1667620744        0.7222229093        0.3083746980
  H         0.5116257822       -0.8028374809        0.1144259525
  H        -0.7230137866       -0.3854417956       -0.8621724499
       4
 i =     184, E =      -17.5505706078
  O         0.0356817044       -0.0699458922       -0.2706543048
  H        -0.1763637755        0.7159409938        0.3034609452
  H         0.5157179116       -0.7866454996        0.1100214886
  H        -0.7237670810       -0.3727063293       -0.8605731254
       4
 i =     185, E =      -17.5504647721
  O         0.0367195880       -0.0723391245       -0.2712278292
  H        -0.1843210930        0.7152240275        0.2986143548
  H         0.5187708710       -0.7720189620        0.1048467734
  H        -0.7227055275       -0.3570087011       -0.8556339730
       4
 i =     186, E =      -17.5500485996
  O         0.0380245610       -0.0752434439       -0.2724253875
  H        -0.1915285783        0.7127811818        0.2990722283
  H         0.5190835883       -0.7612722250        0.1007419458
  H        -0.7186947588       -0.3410500192       -0.8471843223
       4
 i =     187, E =      -17.5492235987
  O         0.0389529540       -0.0772989317       -0.2743707504
  H        -0.1998033139        0.7097476762        0.3003783328
  H         0.5184337285       -0.7524465970        0.0970205790
  H        -0.7119447553       -0.3244098883       -0.8384418991
       4
 i =     188, E =      -17.5485065196
  O         0.0390638091       -0.0786355555       -0.2763163149
  H        -0.2061549496        0.6984424334        0.3027138237
  H         0.5190464364       -0.7475170725        0.0953856953
  H        -0.7068016857       -0.3111302288       -0.8311279493
       4
 i =     189, E =      -17.5477766063
  O         0.0393621478       -0.0806721504       -0.2776696295
  H        -0.2137759611        0.6862814445        0.3099152185
  H         0.5211592160       -0.7467693989        0.0959587159
  H        -0.7016809264       -0.2985960570       -0.8243860004
       4
 i =     190, E =      -17.5472073898
  O         0.0398516398       -0.0821236303       -0.2785402353
  H        -0.2224477913        0.6776183376        0.3141522196
  H         0.5259756431       -0.7492776504        0.0960385287
  H        -0.6987869289       -0.2843831450       -0.8200620014
       4
 i =     191, E =      -17.5468136827
  O         0.0399866792       -0.0842058762       -0.2808682098
  H        -0.2299400388        0.6676471128        0.3194209316
  H         0.5289639946       -0.7565065771        0.1008249633
  H        -0.7003530852       -0.2718444985       -0.8151495885
       4
 i =     192, E =      -17.5470052728
  O         0.0383702983       -0.0852982235       -0.2831875453
  H        -0.2393228328        0.6580375892        0.3249808175
  H         0.5354719224       -0.7706857265        0.1103186191
  H        -0.7039021233       -0.2645168701       -0.8148966936
       4
 i =     193, E =      -17.5469612118
  O         0.0370752999       -0.0859401143       -0.2855092480
  H        -0.2475794360        0.6482544101        0.3274676630
  H         0.5406056341       -0.7865171324        0.1210632265
  H        -0.7086385335       -0.2600636883       -0.8173398616
       4
 i =     194, E =      -17.5468081733
  O         0.0356567869       -0.0856926437       -0.2866010202
  H        -0.2543520212        0.6420012201        0.3347518410
  H         0.5416788411       -0.8078180965        0.1291477068
  H        -0.7169273133       -0.2571270250       -0.8209585323
       4
 i =     195, E =      -17.5467891473
  O         0.0351109827       -0.0859536795       -0.2869372755
  H        -0.2540269091        0.6353578864        0.3431389002
  H         0.5430311666       -0.8248140816        0.1378988258
  H        -0.7332518196       -0.2567681412       -0.8271170822
       4
 i =     196, E =      -17.5462546030
  O         0.0342585122       -0.0857478916       -0.2861650611
  H        -0.2536306246        0.6275165022        0.3491175663
  H         0.5451732847       -0.8387324219        0.1438443108
  H        -0.7528870814       -0.2587450362       -0.8313462661
       4
 i =     197, E =      -17.5456797129
  O         0.0341787450       -0.0859199769       -0.2858140274
  H        -0.2516620013        0.6206975132        0.3587041712
  H         0.5450525671       -0.8486225564        0.1448710030
  H        -0.7725066993       -0.2685551446       -0.8381621663
       4
 i =     198, E =      -17.5450902654
  O         0.0347596230       -0.0860330856       -0.2854401319
  H        -0.2507862344        0.6146837149        0.3685165344
  H         0.5431516143       -0.8527498604        0.1398214553
  H        -0.7895024468       -0.2784967729       -0.8468990619
       4
 i =     199, E =      -17.5448351381
  O         0.0350898489       -0.0864379162       -0.2830228931
  H        -0.2461286823        0.6101032349        0.3781325731
  H         0.5362904602       -0.8545903240        0.1302966565
  H        -0.8008165834       -0.2856556455       -0.8541488992
       4
 i =     200, E =      -17.5452547350
  O         0.0357713279       -0.0871546639       -0.2804946991
  H        -0.2432880425        0.6064554153        0.3919105950
  H         0.5244945466       -0.8537785870        0.1186091936
  H        -0.8041808916       -0.2942686579       -0.8546447970
       4
 i =     201, E =      -17.5456152337
  O         0.0365786829       -0.0874105110       -0.2780152039
  H        -0.2429606269        0.6030763191        0.4037087604
  H         0.5126793495       -0.8468447364        0.1076093148
  H        -0.8039655696       -0.3010586695       -0.8556096252
       4
 i =     202, E =      -17.5455198051
  O         0.0374778873       -0.0880102919       -0.2757914016
  H        -0.2448821103        0.6002880165        0.4134300864
  H         0.4963002719       -0.8379733079        0.0943390412
  H        -0.8043402421       -0.3092126238       -0.8539365838
       4
 i =     203, E =      -17.5457946708
  O         0.0376048367       -0.0880365262       -0.2733181062
  H        -0.2493195289        0.5985496149        0.4211009764
  H         0.4816341766       -0.8335356174        0.0792677704
  H        -0.7959021739       -0.3206078526       -0.8470579011
       4
 i =     204, E =      -17.5461748705
  O         0.0370080088       -0.0876260377       -0.2714822852
  H        -0.2490554655        0.5922888300        0.4297984233
  H         0.4683691039       -0.8285788430        0.0620849149
  H        -0.7830931447       -0.3291424747       -0.8356203283
       4
 i =     205, E =      -17.5464254962
  O         0.0357591373       -0.0875236138       -0.2701329299
  H        -0.2484680122        0.5865438718        0.4374667416
  H         0.4600857626       -0.8272863200        0.0482387381
  H        -0.7687253351       -0.3377451203       -0.8208458289
       4
 i =     206, E =      -17.5468944414
  O         0.0336595537       -0.0872895099       -0.2698829290
  H        -0.2441412148        0.5796822132        0.4400428482
  H         0.4552650801       -0.8310079357        0.0357888162
  H        -0.7523372641       -0.3439023364       -0.8091110766
       4
 i =     207, E =      -17.5471795269
  O         0.0307990532       -0.0872346481       -0.2704255232
  H        -0.2414336765        0.5727662441        0.4423766845
  H         0.4543709603       -0.8378408668        0.0236626344
  H        -0.7379386578       -0.3445666102       -0.7972131457
       4
 i =     208, E =      -17.5472869294
  O         0.0282042915       -0.0864808004       -0.2705256482
  H        -0.2403850929        0.5678579831        0.4425806993
  H         0.4584758630       -0.8482156769        0.0141327795
  H        -0.7233541598       -0.3473577069       -0.7874832875
       4
 i =     209, E =      -17.5471449430
  O         0.0255424639       -0.0865044149       -0.2714408146
  H        -0.2353137407        0.5604189171        0.4428202715
  H         0.4618651853       -0.8571347521        0.0065846470
  H        -0.7111645414       -0.3508045472       -0.7839244661
       4
 i =     210, E =      -17.5472224459
  O         0.0234769210       -0.0862030159       -0.2721687784
  H        -0.2287681653        0.5500428528        0.4406063741
  H         0.4683369820       -0.8662735846       -0.0009203939
  H        -0.7024207606       -0.3538455974       -0.7879097148
       4
 i =     211, E =      -17.5472474236
  O         0.0220455634       -0.0851683710       -0.2717493311
  H        -0.2196498580        0.5413411152        0.4373753535
  H         0.4753682552       -0.8748745035       -0.0065957450
  H        -0.6974727916       -0.3545376447       -0.7927192029
       4
 i =     212, E =      -17.5475093014
  O         0.0201553432       -0.0845868094       -0.2716442981
  H        -0.2103704802        0.5317740341        0.4349071795
  H         0.4832453225       -0.8882022839       -0.0121900812
  H        -0.6993488044       -0.3560134975       -0.8000930552
       4
 i =     213, E =      -17.5480225780
  O         0.0180932485       -0.0852588321       -0.2705375924
  H        -0.2020793735        0.5245811829        0.4388808301
  H         0.4911070029       -0.9000112867       -0.0191059147
  H        -0.7093356068       -0.3596402936       -0.8086926973
       4
 i =     214, E =      -17.5479338928
  O         0.0154337311       -0.0870684280       -0.2694096548
  H        -0.1913037756        0.5157051303        0.4454757431
  H         0.4999513743       -0.9100303952       -0.0249272211
  H        -0.7190866503       -0.3625812351       -0.8197242952
       4
 i =     215, E =      -17.5476978703
  O         0.0137577527       -0.0888450361       -0.2682864693
  H        -0.1840685366        0.5086371944        0.4565016949
  H         0.5070170551       -0.9187503257       -0.0310770404
  H        -0.7281622746       -0.3650692554       -0.8312278286
       4
 i =     216, E =      -17.5466544408
  O         0.0124730661       -0.0898645525       -0.2685669370
  H        -0.1766832623        0.5009076826        0.4641483545
  H         0.5141206711       -0.9296934500       -0.0355542413
  H        -0.7376709955       -0.3699329697       -0.8450330316
       4
 i =     217, E =      -17.5455913775
  O         0.0110455280       -0.0920275359       -0.2694991242
  H        -0.1746161498        0.4922733977        0.4722043403
  H         0.5195175267       -0.9374672197       -0.0413265409
  H        -0.7460224900       -0.3749110615       -0.8574567338
       4
 i =     218, E =      -17.5450407737
  O         0.0089459768       -0.0949266468       -0.2711421622
  H        -0.1753086944        0.4854047090        0.4805281642
  H         0.5240421053       -0.9411956331       -0.0480138335
  H        -0.7522758345       -0.3775070717       -0.8675607474
       4
 i =     219, E =      -17.5451492386
  O         0.0061093199       -0.0982756446       -0.2740738226
  H        -0.1763664798        0.4799929299        0.4938803970
  H         0.5286785264       -0.9383532205       -0.0572386182
  H        -0.7559017000       -0.3771513556       -0.8761858176
       4
 i =     220, E =      -17.5455754335
  O         0.0027342118       -0.1018641084       -0.2783516819
  H        -0.1775444116        0.4747227451        0.5060754458
  H         0.5323291952       -0.9325522125       -0.0692796212
  H        -0.7599973353       -0.3721442122       -0.8809672301
       4
 i =     221, E =      -17.5463762031
  O        -0.0004015727       -0.1052208173       -0.2836679435
  H        -0.1836651617        0.4677749042        0.5163130946
  H         0.5292262223       -0.9240685011       -0.0787901180
  H        -0.7644514285       -0.3671095386       -0.8842675343
       4
 i =     222, E =      -17.5471801271
  O        -0.0026558193       -0.1089991044       -0.2876009177
  H        -0.1914227437        0.4631373249        0.5294871693
  H         0.5225596922       -0.9138753452       -0.0870129218
  H        -0.7621666898       -0.3610418419       -0.8835462778
       4
 i =     223, E =      -17.5471720500
  O        -0.0041427415       -0.1129301331       -0.2924435622
  H        -0.1973089178        0.4580057455        0.5442264288
  H         0.5210055936       -0.8988301042       -0.1007438565
  H        -0.7622538195       -0.3559804646       -0.8830713522
       4
 i =     224, E =      -17.5463783592
  O        -0.0051085990       -0.1170030311       -0.2973293742
  H        -0.2047697452        0.4513507447        0.5573311615
  H         0.5138625085       -0.8835509358       -0.1126803887
  H        -0.7631406548       -0.3526290277       -0.8820160849
       4
 i =     225, E =      -17.5449381958
  O        -0.0064065247       -0.1208469479       -0.3025902640
  H        -0.2126343840        0.4404435336        0.5706910913
  H         0.5094582086       -0.8706903546       -0.1245469153
  H        -0.7638676050       -0.3455486376       -0.8804105410
       4
 i =     226, E =      -17.5436197891
  O        -0.0078356651       -0.1251451981       -0.3075767332
  H        -0.2148033929        0.4303841393        0.5811614292
  H         0.5094156785       -0.8638461618       -0.1364983228
  H        -0.7617540950       -0.3377220774       -0.8767018268
       4
 i =     227, E =      -17.5434326861
  O        -0.0091239064       -0.1290247781       -0.3123316177
  H        -0.2168458939        0.4205832597        0.5832730505
  H         0.5170373147       -0.8618616124       -0.1420130572
  H        -0.7602225983       -0.3297133853       -0.8755569731
       4
 i =     228, E =      -17.5444021437
  O        -0.0108430400       -0.1310812954       -0.3165501220
  H        -0.2199805450        0.4056819429        0.5818265538
  H         0.5264560452       -0.8646883850       -0.1429075767
  H        -0.7627994100       -0.3258233826       -0.8728304764
       4
 i =     229, E =      -17.5457278302
  O        -0.0129855934       -0.1323702561       -0.3205061344
  H        -0.2235370933        0.3868740053        0.5772190509
  H         0.5328083598       -0.8730275500       -0.1457742945
  H        -0.7647199960       -0.3191403617       -0.8689510643
       4
 i =     230, E =      -17.5471066253
  O        -0.0150478696       -0.1336508235       -0.3236107918
  H        -0.2288092986        0.3712569634        0.5693030348
  H         0.5423288091       -0.8823511108       -0.1460666094
  H        -0.7694217203       -0.3145201233       -0.8666441574
       4
 i =     231, E =      -17.5486057680
  O        -0.0169362682       -0.1330302392       -0.3268096351
  H        -0.2370836318        0.3601920670        0.5542940707
  H         0.5549832986       -0.8938194233       -0.1503006778
  H        -0.7766759988       -0.3099904331       -0.8681018056
       4
 i =     232, E =      -17.5493858600
  O        -0.0186429587       -0.1337822775       -0.3304379532
  H        -0.2397718908        0.3505197501        0.5348125618
  H         0.5671482764       -0.9051208131       -0.1540816516
  H        -0.7866394096       -0.3071940558       -0.8692221764
       4
 i =     233, E =      -17.5494614056
  O        -0.0193429780       -0.1333798921       -0.3332385712
  H        -0.2451776489        0.3392306936        0.5145772515
  H         0.5796928911       -0.9190576146       -0.1566418122
  H        -0.7988643790       -0.3056919671       -0.8726131045
       4
 i =     234, E =      -17.5486057354
  O        -0.0199413700       -0.1326186230       -0.3360662692
  H        -0.2474079013        0.3258807765        0.4943502615
  H         0.5874394147       -0.9307259315       -0.1573729168
  H        -0.8143965296       -0.3048716577       -0.8820348338
       4
 i =     235, E =      -17.5471925846
  O        -0.0204857920       -0.1327491242       -0.3390472594
  H        -0.2524438198        0.3146530626        0.4760325719
  H         0.5912287142       -0.9391911423       -0.1579541331
  H        -0.8295328031       -0.3044558559       -0.8927785244
       4
 i =     236, E =      -17.5459839501
  O        -0.0217504860       -0.1326850842       -0.3414149536
  H        -0.2604816281        0.3074210112        0.4627525696
  H         0.5934727762       -0.9400872580       -0.1572344356
  H        -0.8454639900       -0.3076879382       -0.8997046556
       4
 i =     237, E =      -17.5449789670
  O        -0.0227566879       -0.1331904898       -0.3437491806
  H        -0.2674422902        0.3032443436        0.4554683286
  H         0.5930939799       -0.9417010038       -0.1642485587
  H        -0.8632147569       -0.3117565840       -0.9037327467
       4
 i =     238, E =      -17.5454133519
  O        -0.0230974547       -0.1342832677       -0.3468414102
  H        -0.2735882353        0.3044842458        0.4547639873
  H         0.5892171292       -0.9384343277       -0.1744045291
  H        -0.8751397369       -0.3176082361       -0.9041620037
       4
 i =     239, E =      -17.5465766194
  O        -0.0244475493       -0.1361103455       -0.3504719062
  H        -0.2819231113        0.3072153423        0.4579866469
  H         0.5817759337       -0.9282035680       -0.1855143312
  H        -0.8813882700       -0.3267735662       -0.9072609588
       4
 i =     240, E =      -17.5476349740
  O        -0.0252965082       -0.1380131643       -0.3545396953
  H        -0.2887053500        0.3117114507        0.4669154309
  H         0.5707200843       -0.9138226517       -0.1944004901
  H        -0.8839154983       -0.3359682131       -0.9113996220
       4
 i =     241, E =      -17.5478509001
  O        -0.0264529771       -0.1396535338       -0.3580535289
  H        -0.2928183916        0.3195010785        0.4784125780
  H         0.5634531135       -0.8969933173       -0.2037343782
  H        -0.8818147892       -0.3425519776       -0.9149248757
       4
 i =     242, E =      -17.5473127481
  O        -0.0278940219       -0.1409096125       -0.3618861774
  H        -0.2962665572        0.3272021163        0.4912005580
  H         0.5546767372       -0.8832647493       -0.2107938119
  H        -0.8760742091       -0.3497553721       -0.9162239986
       4
 i =     243, E =      -17.5463541170
  O        -0.0293747679       -0.1422013172       -0.3642732326
  H        -0.2942324430        0.3327271735        0.5020921554
  H         0.5502330768       -0.8702034703       -0.2158432138
  H        -0.8653192011       -0.3599438059       -0.9120600191
       4
 i =     244, E =      -17.5456543924
  O        -0.0313951103       -0.1426671766       -0.3670000575
  H        -0.2917087942        0.3335198929        0.5078343053
  H         0.5497362274       -0.8607560087       -0.2177809326
  H        -0.8505940073       -0.3718180469       -0.9077714398
       4
 i =     245, E =      -17.5453553662
  O        -0.0327480498       -0.1428309499       -0.3697242505
  H        -0.2902838138        0.3281723377        0.5079321757
  H         0.5537695768       -0.8535821084       -0.2214784403
  H        -0.8336341959       -0.3835878825       -0.9044078601
       4
 i =     246, E =      -17.5455673376
  O        -0.0351155746       -0.1423899003       -0.3719418813
  H        -0.2894158953        0.3225949730        0.5027824789
  H         0.5573239863       -0.8507492727       -0.2280262872
  H        -0.8204537008       -0.3989553187       -0.9009195322
       4
 i =     247, E =      -17.5463377210
  O        -0.0368011631       -0.1414886795       -0.3743200258
  H        -0.2861626847        0.3152046827        0.4920988142
  H         0.5670119645       -0.8538011307       -0.2333070429
  H        -0.8080017330       -0.4128537873       -0.8994270594
       4
 i =     248, E =      -17.5471693181
  O        -0.0385876736       -0.1405299388       -0.3762396453
  H        -0.2844246474        0.3114752986        0.4835474526
  H         0.5824477450       -0.8595109399       -0.2358999381
  H        -0.7979141634       -0.4279102966       -0.8987504183
       4
 i =     249, E =      -17.5476048382
  O        -0.0406934489       -0.1395804293       -0.3774322953
  H        -0.2868532682        0.3038099003        0.4754725419
  H         0.6031862491       -0.8686751692       -0.2366346256
  H        -0.7894043043       -0.4420771632       -0.8980505621
       4
 i =     250, E =      -17.5478531442
  O        -0.0426636065       -0.1389053672       -0.3774159644
  H        -0.2895559489        0.2959465570        0.4659093843
  H         0.6237094219       -0.8738848148       -0.2322070889
  H        -0.7843772560       -0.4541011516       -0.9029085693
       4
 i =     251, E =      -17.5476876789
  O        -0.0451885129       -0.1383867541       -0.3765489386
  H        -0.2971418383        0.2849869030        0.4615646703
  H         0.6421119370       -0.8809017719       -0.2310059682
  H        -0.7826559766       -0.4641100116       -0.9075433103
       4
 i =     252, E =      -17.5472564875
  O        -0.0477800836       -0.1385844022       -0.3754738717
  H        -0.3030407218        0.2744528402        0.4567765907
  H         0.6560723509       -0.8864786866       -0.2319021974
  H        -0.7839105745       -0.4732209098       -0.9112610458
       4
 i =     253, E =      -17.5473648985
  O        -0.0497082362       -0.1390297125       -0.3740891290
  H        -0.3071153065        0.2655526495        0.4568183206
  H         0.6615176040       -0.8897596223       -0.2353676679
  H        -0.7859074938       -0.4826213406       -0.9145486858
       4
 i =     254, E =      -17.5476968274
  O        -0.0518198481       -0.1393009515       -0.3733238023
  H        -0.3075376695        0.2562452591        0.4568343725
  H         0.6626690799       -0.8895509372       -0.2366936286
  H        -0.7898548476       -0.4883856857       -0.9178523067
       4
 i =     255, E =      -17.5484579994
  O        -0.0530304293       -0.1396677585       -0.3731952026
  H        -0.3069868905        0.2502308688        0.4628574300
  H         0.6633744287       -0.8886308953       -0.2410233270
  H        -0.7905780677       -0.4901784528       -0.9235302251
       4
 i =     256, E =      -17.5493786883
  O        -0.0534338241       -0.1405560776       -0.3733728201
  H        -0.3101277018        0.2430665427        0.4723875492
  H         0.6615316939       -0.8882486386       -0.2465732700
  H        -0.7946274925       -0.4913070465       -0.9299642439
       4
 i =     257, E =      -17.5503262948
  O        -0.0538154649       -0.1418456755       -0.3737426443
  H        -0.3177731210        0.2430061185        0.4871076183
  H         0.6573692056       -0.8883037860       -0.2532459473
  H        -0.7983183235       -0.4958277965       -0.9311671567
       4
 i =     258, E =      -17.5512543138
  O        -0.0543366475       -0.1440667814       -0.3733493042
  H        -0.3239517240        0.2492764045        0.5011507278
  H         0.6494952722       -0.8806441588       -0.2579794291
  H        -0.8000820991       -0.4958680633       -0.9286223525
       4
 i =     259, E =      -17.5514932966
  O        -0.0551784440       -0.1470824044       -0.3726362017
  H        -0.3303080093        0.2542793335        0.5145682540
  H         0.6406093284       -0.8697711551       -0.2577936614
  H        -0.8015324332       -0.4964198823       -0.9294609858
       4
 i =     260, E =      -17.5509438337
  O        -0.0568934919       -0.1495365650       -0.3718497046
  H        -0.3374059577        0.2560211242        0.5296399951
  H         0.6317594735       -0.8556598953       -0.2584581791
  H        -0.8026749765       -0.4951574009       -0.9301496555
       4
 i =     261, E =      -17.5497170095
  O        -0.0583433257       -0.1510764267       -0.3707959164
  H        -0.3438686217        0.2568982305        0.5428907714
  H         0.6226865150       -0.8441235478       -0.2610562229
  H        -0.8047148216       -0.4947921108       -0.9317682132
       4
 i =     262, E =      -17.5482034842
  O        -0.0590794920       -0.1528574793       -0.3705084509
  H        -0.3513519472        0.2588819215        0.5509141070
  H         0.6161156648       -0.8344114552       -0.2631286946
  H        -0.8072102219       -0.4948806397       -0.9288299845
       4
 i =     263, E =      -17.5469470923
  O        -0.0598452200       -0.1534211629       -0.3715220321
  H        -0.3575414696        0.2551415007        0.5504682440
  H         0.6085641865       -0.8273189301       -0.2625101792
  H        -0.8104579526       -0.4935086600       -0.9263412309
       4
 i =     264, E =      -17.5459893373
  O        -0.0610716820       -0.1533374848       -0.3726615440
  H        -0.3632704662        0.2537832785        0.5446924202
  H         0.6047131762       -0.8209570122       -0.2640515804
  H        -0.8151560780       -0.4914973140       -0.9210943862
       4
 i =     265, E =      -17.5452974367
  O        -0.0627070068       -0.1530883051       -0.3749331105
  H        -0.3694796424        0.2527541272        0.5358412191
  H         0.6048830713       -0.8184679502       -0.2671030380
  H        -0.8176950758       -0.4910945133       -0.9145681334
       4
 i =     266, E =      -17.5451013929
  O        -0.0644425008       -0.1527887398       -0.3770267707
  H        -0.3784017948        0.2495183809        0.5239114734
  H         0.6038581591       -0.8185402951       -0.2692293434
  H        -0.8219636872       -0.4941839724       -0.9034992584
       4
 i =     267, E =      -17.5450705131
  O        -0.0663583036       -0.1524416168       -0.3785429918
  H        -0.3828119366        0.2393937943        0.5130061804
  H         0.6042206581       -0.8208806243       -0.2719650541
  H        -0.8285852968       -0.4962684808       -0.8952225046
       4
 i =     268, E =      -17.5453689573
  O        -0.0676086497       -0.1511266747       -0.3802892328
  H        -0.3882465373        0.2287798276        0.5024059534
  H         0.6021883382       -0.8288864477       -0.2757237930
  H        -0.8376940144       -0.4998611998       -0.8896159336
       4
 i =     269, E =      -17.5455770284
  O        -0.0689955423       -0.1502067075       -0.3820828668
  H        -0.3889084650        0.2151394136        0.4864559825
  H         0.6015634857       -0.8396646621       -0.2794492456
  H        -0.8445838675       -0.5066503360       -0.8825346174
       4
 i =     270, E =      -17.5455497532
  O        -0.0705471685       -0.1486979032       -0.3830171629
  H        -0.3895748375        0.2028085552        0.4710527235
  H         0.6051609987       -0.8542419899       -0.2812253289
  H        -0.8537741188       -0.5158333564       -0.8764366218
       4
 i =     271, E =      -17.5445183505
  O        -0.0716355538       -0.1484794413       -0.3835313843
  H        -0.3873430821        0.1912638173        0.4555707372
  H         0.6103757913       -0.8697643973       -0.2819744133
  H        -0.8655584016       -0.5221345964       -0.8735773130
       4
 i =     272, E =      -17.5429535328
  O        -0.0726186031       -0.1480418312       -0.3828118526
  H        -0.3860195971        0.1816756110        0.4415158866
  H         0.6180518681       -0.8805353740       -0.2830460031
  H        -0.8777957781       -0.5289546731       -0.8724863862
       4
 i =     273, E =      -17.5418133646
  O        -0.0735394145       -0.1476139673       -0.3823225228
  H        -0.3821628561        0.1764051203        0.4362042335
  H         0.6229655238       -0.8852300768       -0.2831821091
  H        -0.8865394431       -0.5385398168       -0.8725294953
       4
 i =     274, E =      -17.5414664121
  O        -0.0751386462       -0.1463077103       -0.3825353896
  H        -0.3758018903        0.1730573575        0.4378124350
  H         0.6264394579       -0.8824311397       -0.2844295036
  H        -0.8965149483       -0.5439010110       -0.8728815986
       4
 i =     275, E =      -17.5421935785
  O        -0.0778354983       -0.1446674186       -0.3840631826
  H        -0.3707400793        0.1726580570        0.4467940186
  H         0.6274661112       -0.8816201112       -0.2911211199
  H        -0.9044369221       -0.5483884453       -0.8744932182
       4
 i =     276, E =      -17.5438546093
  O        -0.0799649035       -0.1429640314       -0.3850717102
  H        -0.3683751223        0.1734597950        0.4644712331
  H         0.6276957124       -0.8792012617       -0.2967328359
  H        -0.9054913195       -0.5533609388       -0.8756482863
       4
 i =     277, E =      -17.5452390774
  O        -0.0820452803       -0.1414562905       -0.3864240442
  H        -0.3652380212        0.1721973107        0.4833131210
  H         0.6257579724       -0.8721308907       -0.3029458185
  H        -0.9049373043       -0.5624767090       -0.8750904004
       4
 i =     278, E =      -17.5462491658
  O        -0.0843157706       -0.1405511832       -0.3880542161
  H        -0.3618556344        0.1691437444        0.5005355721
  H         0.6170277046       -0.8676279871       -0.3053943917
  H        -0.9038330736       -0.5694527782       -0.8727045395
       4
 i =     279, E =      -17.5472213730
  O        -0.0865050775       -0.1402781750       -0.3898034596
  H        -0.3595207568        0.1670200880        0.5148370601
  H         0.6080143351       -0.8572127846       -0.3065803441
  H        -0.8993218298       -0.5732633789       -0.8662719439
       4
 i =     280, E =      -17.5477975356
  O        -0.0882073462       -0.1404475361       -0.3920509517
  H        -0.3577511053        0.1686479127        0.5300484627
  H         0.5977488873       -0.8455017032       -0.3064838042
  H        -0.8898710404       -0.5755360939       -0.8600542686
       4
 i =     281, E =      -17.5475984828
  O        -0.0902335818       -0.1403173025       -0.3941341803
  H        -0.3554698204        0.1687413635        0.5410355925
  H         0.5877379036       -0.8341274086       -0.3088297079
  H        -0.8800491196       -0.5806219937       -0.8569211284
       4
 i =     282, E =      -17.5473475852
  O        -0.0923108728       -0.1400404042       -0.3966358930
  H        -0.3556603307        0.1677690808        0.5461461794
  H         0.5853555499       -0.8216660866       -0.3108699527
  H        -0.8761508870       -0.5830602288       -0.8547573223
       4
 i =     283, E =      -17.5474137717
  O        -0.0953383305       -0.1388680958       -0.3994603191
  H        -0.3574157234        0.1675518950        0.5478623294
  H         0.5880930815       -0.8111597934       -0.3160057833
  H        -0.8729523638       -0.5884775107       -0.8529005772
       4
 i =     284, E =      -17.5477243343
  O        -0.0985608006       -0.1380450781       -0.4024745654
  H        -0.3617934977        0.1669415601        0.5477726582
  H         0.5956401922       -0.7999883610       -0.3247513366
  H        -0.8665318453       -0.5911250246       -0.8485060080
       4
 i =     285, E =      -17.5479428793
  O        -0.1015592874       -0.1371140507       -0.4063735011
  H        -0.3674868963        0.1691905237        0.5461646340
  H         0.6030817168       -0.7936708969       -0.3295472852
  H        -0.8607781295       -0.5903479500       -0.8419135085
       4
 i =     286, E =      -17.5487464394
  O        -0.1047501939       -0.1357723595       -0.4098226193
  H        -0.3734373302        0.1691676185        0.5354706244
  H         0.6129259019       -0.7888923938       -0.3290174609
  H        -0.8597106280       -0.5883062602       -0.8432775572
       4
 i =     287, E =      -17.5494637428
  O        -0.1078437647       -0.1344219456       -0.4137853712
  H        -0.3759850274        0.1691645490        0.5217115083
  H         0.6244122129       -0.7813862159       -0.3321658606
  H        -0.8585804214       -0.5884280898       -0.8431821078
       4
 i =     288, E =      -17.5499198147
  O        -0.1113792904       -0.1324677923       -0.4163312067
  H        -0.3771569047        0.1637746431        0.5064742008
  H         0.6413485628       -0.7748189108       -0.3333033081
  H        -0.8562896299       -0.5865647007       -0.8410709466
       4
 i =     289, E =      -17.5499682584
  O        -0.1153143193       -0.1303216259       -0.4182168243
  H        -0.3775352186        0.1631892973        0.4891095830
  H         0.6594911874       -0.7667514918       -0.3332907222
  H        -0.8557519515       -0.5835440633       -0.8417531564
       4
 i =     290, E =      -17.5497336004
  O        -0.1185093530       -0.1289950954       -0.4196581786
  H        -0.3786892134        0.1650305203        0.4758420277
  H         0.6737472476       -0.7581394338       -0.3321283096
  H        -0.8554778962       -0.5792707156       -0.8489456106
       4
 i =     291, E =      -17.5490690090
  O        -0.1214148531       -0.1286017399       -0.4215762976
  H        -0.3785534581        0.1671867272        0.4654410446
  H         0.6926011590       -0.7466580515       -0.3318454645
  H        -0.8581107828       -0.5747968821       -0.8534371719
       4
 i =     292, E =      -17.5484672168
  O        -0.1237168283       -0.1283796619       -0.4237878201
  H        -0.3789132901        0.1642814341        0.4554740614
  H         0.7090877839       -0.7308609985       -0.3325662307
  H        -0.8636474490       -0.5732812847       -0.8597794579
       4
 i =     293, E =      -17.5481320740
  O        -0.1251475652       -0.1286892741       -0.4264128173
  H        -0.3835664425        0.1620670608        0.4459653151
  H         0.7217151163       -0.7145786140       -0.3335755675
  H        -0.8704479633       -0.5740469457       -0.8716892478
       4
 i =     294, E =      -17.5482818261
  O        -0.1264447868       -0.1284483917       -0.4305646982
  H        -0.3899422800        0.1630459177        0.4419915095
  H         0.7297071194       -0.6990492689       -0.3377916011
  H        -0.8777394576       -0.5755485315       -0.8811199506
       4
 i =     295, E =      -17.5488268572
  O        -0.1274203686       -0.1284131397       -0.4340769853
  H        -0.3955269046        0.1649807986        0.4413631303
  H         0.7333199623       -0.6825243412       -0.3455437941
  H        -0.8821761942       -0.5803149637       -0.8935889182
       4
 i =     296, E =      -17.5493586065
  O        -0.1281539992       -0.1284598912       -0.4369320629
  H        -0.4017817134        0.1658301931        0.4391648076
  H         0.7317979412       -0.6632774987       -0.3521031712
  H        -0.8842312793       -0.5831834096       -0.9075603455
       4
 i =     297, E =      -17.5498365012
  O        -0.1283184001       -0.1296278945       -0.4395093251
  H        -0.4115479573        0.1697837244        0.4400455803
  H         0.7274963475       -0.6438994242       -0.3583833749
  H        -0.8863221215       -0.5860416590       -0.9209598952
       4
 i =     298, E =      -17.5498880716
  O        -0.1282254951       -0.1313200718       -0.4416364816
  H        -0.4209249506        0.1742592171        0.4377319998
  H         0.7207056019       -0.6260844957       -0.3654860267
  H        -0.8875878305       -0.5870863819       -0.9319435987
       4
 i =     299, E =      -17.5496119137
  O        -0.1291788211       -0.1325627768       -0.4439138430
  H        -0.4287908072        0.1797233504        0.4336199728
  H         0.7139822610       -0.6055597548       -0.3722799983
  H        -0.8847094092       -0.5919366394       -0.9412869765
       4
 i =     300, E =      -17.5490864362
  O        -0.1306942165       -0.1339809228       -0.4458576427
  H        -0.4413865605        0.1841969623        0.4299469375
  H         0.7078868976       -0.5896456114       -0.3783972748
  H        -0.8820324210       -0.5935533590       -0.9512397012
       4
 i =     301, E =      -17.5482423514
  O        -0.1322575279       -0.1351384344       -0.4475285292
  H        -0.4481038611        0.1845779420        0.4274312110
  H         0.6980199222       -0.5785535774       -0.3860290477
  H        -0.8775459141       -0.5923370368       -0.9583108641
       4
 i =     302, E =      -17.5475193101
  O        -0.1330350748       -0.1357897004       -0.4491947834
  H        -0.4534568749        0.1886355307        0.4247011100
  H         0.6911073825       -0.5717011075       -0.3944766590
  H        -0.8729296779       -0.5901789700       -0.9645809926
       4
 i =     303, E =      -17.5470960577
  O        -0.1345469083       -0.1370902930       -0.4513025148
  H        -0.4581770917        0.1929679619        0.4233978073
  H         0.6905739714       -0.5649977064       -0.4043370432
  H        -0.8742056923       -0.5849544836       -0.9664389427
       4
 i =     304, E =      -17.5469973563
  O        -0.1355374589       -0.1383012625       -0.4533341819
  H        -0.4641276715        0.1950595528        0.4213871572
  H         0.6940570499       -0.5613023406       -0.4144765604
  H        -0.8752974082       -0.5793778916       -0.9664477448
       4
 i =     305, E =      -17.5473791439
  O        -0.1367984160       -0.1387806071       -0.4553155469
  H        -0.4740590509        0.1955687669        0.4227850217
  H         0.7044544900       -0.5616191536       -0.4221227515
  H        -0.8763730348       -0.5706589557       -0.9668756011
       4
 i =     306, E =      -17.5475768642
  O        -0.1369624577       -0.1390999058       -0.4575769080
  H        -0.4833616679        0.1962896536        0.4214879953
  H         0.7190565743       -0.5612357593       -0.4259583750
  H        -0.8760320995       -0.5642388505       -0.9679742555
       4
 i =     307, E =      -17.5476103215
  O        -0.1370291819       -0.1398173816       -0.4588876322
  H        -0.4934176673        0.1942310488        0.4182507642
  H         0.7342840438       -0.5594465446       -0.4333578445
  H        -0.8752755387       -0.5602469506       -0.9740616246
       4
 i =     308, E =      -17.5473053549
  O        -0.1378405125       -0.1405540997       -0.4605644828
  H        -0.5048753041        0.1926439543        0.4184178337
  H         0.7470518812       -0.5569484551       -0.4415111697
  H        -0.8762916019       -0.5565431603       -0.9766975357
       4
 i =     309, E =      -17.5466521178
  O        -0.1386135133       -0.1405170222       -0.4623499280
  H        -0.5181407120        0.1883966630        0.4213689294
  H         0.7604304509       -0.5558027236       -0.4480463653
  H        -0.8746609549       -0.5516812238       -0.9805819144
       4
 i =     310, E =      -17.5458809344
  O        -0.1390275206       -0.1409535065       -0.4640716759
  H        -0.5305638506        0.1845947126        0.4234182588
  H         0.7740241957       -0.5552749825       -0.4552195823
  H        -0.8681144153       -0.5491620194       -0.9888121366
       4
 i =     311, E =      -17.5457787794
  O        -0.1389461231       -0.1419690749       -0.4652287005
  H        -0.5402505829        0.1802625292        0.4215418320
  H         0.7813434406       -0.5510216322       -0.4677847317
  H        -0.8603578368       -0.5497329267       -0.9979180267
       4
 i =     312, E =      -17.5458548605
  O        -0.1391609498       -0.1420882374       -0.4669252073
  H        -0.5490440049        0.1777274589        0.4190832358
  H         0.7844026277       -0.5484051617       -0.4792242998
  H        -0.8519004282       -0.5545285790       -1.0052561319
       4
 i =     313, E =      -17.5467808106
  O        -0.1401077852       -0.1415354797       -0.4682994830
  H        -0.5493202342        0.1751823330        0.4152122283
  H         0.7804246880       -0.5461986503       -0.4910960981
  H        -0.8455544526       -0.5596128118       -1.0164066866
       4
 i =     314, E =      -17.5481045201
  O        -0.1412245361       -0.1413254628       -0.4686365454
  H        -0.5425973617        0.1719642418        0.4106725234
  H         0.7743707073       -0.5452903147       -0.4997954920
  H        -0.8416804613       -0.5648616139       -1.0315354694
       4
 i =     315, E =      -17.5495419030
  O        -0.1417272631       -0.1414993324       -0.4692763187
  H        -0.5334206542        0.1645826441        0.3989328113
  H         0.7671767754       -0.5398108007       -0.5065587435
  H        -0.8343249291       -0.5703078492       -1.0480585168
       4
 i =     316, E =      -17.5502363426
  O        -0.1416968037       -0.1414070679       -0.4700584125
  H        -0.5258467768        0.1599911250        0.3845275957
  H         0.7627430099       -0.5376593280       -0.5114266115
  H        -0.8276381820       -0.5745725598       -1.0616595671
       4
 i =     317, E =      -17.5503240206
  O        -0.1417042779       -0.1412132510       -0.4711670011
  H        -0.5187858196        0.1533530940        0.3708564724
  H         0.7619423125       -0.5344099894       -0.5190226810
  H        -0.8180491460       -0.5795867222       -1.0723699587
       4
 i =     318, E =      -17.5503352643
  O        -0.1408219297       -0.1412643873       -0.4723272922
  H        -0.5112656478        0.1466331976        0.3611996942
  H         0.7582222960       -0.5292826130       -0.5212918097
  H        -0.8097296775       -0.5799579728       -1.0802624958
       4
 i =     319, E =      -17.5504571497
  O        -0.1405102591       -0.1423713305       -0.4738376032
  H        -0.5076797471        0.1396905363        0.3563697262
  H         0.7518662088       -0.5257284018       -0.5186341856
  H        -0.8053611964       -0.5778920179       -1.0880100811
       4
 i =     320, E =      -17.5506052280
  O        -0.1404581786       -0.1431137435       -0.4753423049
  H        -0.5071367716        0.1316432167        0.3553453730
  H         0.7479569541       -0.5238668727       -0.5163060349
  H        -0.8029391382       -0.5789975604       -1.0923989168
       4
 i =     321, E =      -17.5508642383
  O        -0.1398778893       -0.1424971112       -0.4773711795
  H        -0.5071271873        0.1251617480        0.3572007451
  H         0.7466487649       -0.5213423925       -0.5129655440
  H        -0.7988903343       -0.5797003541       -1.0992177187
       4
 i =     322, E =      -17.5512668140
  O        -0.1399766580       -0.1422143933       -0.4797017527
  H        -0.5112956009        0.1183209504        0.3638360689
  H         0.7494606647       -0.5129325637       -0.5034668063
  H        -0.7978982538       -0.5854304963       -1.1046945480
       4
 i =     323, E =      -17.5514464487
  O        -0.1407979870       -0.1422130976       -0.4820484626
  H        -0.5142965464        0.1166739248        0.3712460619
  H         0.7492979376       -0.5057292964       -0.4977941316
  H        -0.7967392564       -0.5913909705       -1.1105484871
       4
 i =     324, E =      -17.5514064079
  O        -0.1410084594       -0.1431343482       -0.4839340209
  H        -0.5197270325        0.1164230675        0.3846296999
  H         0.7482749835       -0.5010037104       -0.4899652166
  H        -0.7946664863       -0.5965300520       -1.1165566500
       4
 i =     325, E =      -17.5508894778
  O        -0.1412305927       -0.1444065559       -0.4863399571
  H        -0.5213592629        0.1167822924        0.3965032200
  H         0.7474635290       -0.4976164888       -0.4849769617
  H        -0.7942344431       -0.6033256449       -1.1200905297
       4
 i =     326, E =      -17.5502490106
  O        -0.1428481615       -0.1459034337       -0.4889414793
  H        -0.5251199549        0.1151790667        0.4077387012
  H         0.7434868675       -0.4946381863       -0.4796634456
  H        -0.7901541311       -0.6099779463       -1.1218702014
       4
 i =     327, E =      -17.5494085468
  O        -0.1443017023       -0.1473344002       -0.4920560605
  H        -0.5283932196        0.1134191592        0.4171457025
  H         0.7388592793       -0.4969705536       -0.4776258548
  H        -0.7870189493       -0.6185747723       -1.1215704597
       4
 i =     328, E =      -17.5487090078
  O        -0.1464534168       -0.1486989979       -0.4947662018
  H        -0.5323848832        0.1107416691        0.4224648051
  H         0.7365961292       -0.4995621920       -0.4821871118
  H        -0.7827173387       -0.6250166400       -1.1214851233
       4
 i =     329, E =      -17.5482976801
  O        -0.1490924692       -0.1491048829       -0.4972115419
  H        -0.5341380388        0.1056183347        0.4245373303
  H         0.7310725491       -0.5029523422       -0.4865343200
  H        -0.7808878009       -0.6277802662       -1.1185747451
       4
 i =     330, E =      -17.5480457643
  O        -0.1517172482       -0.1497897918       -0.4990325395
  H        -0.5346873023        0.1016988372        0.4234033921
  H         0.7266165587       -0.5076964392       -0.4918032853
  H        -0.7754715671       -0.6312380771       -1.1161741993
       4
 i =     331, E =      -17.5481777346
  O        -0.1541885318       -0.1506691258       -0.5008277204
  H        -0.5339246323        0.0935122604        0.4164189480
  H         0.7253604618       -0.5115854402       -0.4926745024
  H        -0.7681672806       -0.6371851649       -1.1132431383
       4
 i =     332, E =      -17.5482316798
  O        -0.1565854052       -0.1509424778       -0.5033174975
  H        -0.5313148529        0.0827194939        0.4076824051
  H         0.7261416976       -0.5110301987       -0.4967390718
  H        -0.7582652155       -0.6420088693       -1.1120458943
       4
 i =     333, E =      -17.5479449256
  O        -0.1596291883       -0.1511620767       -0.5059801589
  H        -0.5281478084        0.0710748138        0.4006991732
  H         0.7274800562       -0.5091513886       -0.4989609662
  H        -0.7480024586       -0.6475186412       -1.1087257661
       4
 i =     334, E =      -17.5469897938
  O        -0.1626528528       -0.1520504800       -0.5084852851
  H        -0.5213917648        0.0561763875        0.3911907222
  H         0.7250028127       -0.5104741257       -0.5032375070
  H        -0.7324380848       -0.6548035155       -1.1039113921
       4
 i =     335, E =      -17.5457192738
  O        -0.1665223435       -0.1526074652       -0.5107798566
  H        -0.5141283918        0.0417510420        0.3839105291
  H         0.7251558050       -0.5095824378       -0.5056020069
  H        -0.7160223806       -0.6652612171       -1.1002833068
       4
 i =     336, E =      -17.5447304065
  O        -0.1715578925       -0.1536311318       -0.5133376546
  H        -0.5104650392        0.0293159129        0.3770076073
  H         0.7258893135       -0.5073237419       -0.5077810397
  H        -0.7039732534       -0.6785393236       -1.0996461359
       4
 i =     337, E =      -17.5444017721
  O        -0.1753064250       -0.1537276557       -0.5157176159
  H        -0.5079722206        0.0189496520        0.3697233581
  H         0.7267186721       -0.5036228379       -0.5051256109
  H        -0.6974951595       -0.6957636994       -1.0991471457
       4
 i =     338, E =      -17.5444966617
  O        -0.1787613025       -0.1539840565       -0.5180244790
  H        -0.5073781035        0.0079260387        0.3632219684
  H         0.7272493230       -0.4985180090       -0.5051029484
  H        -0.6956348907       -0.7109310576       -1.1013138483
       4
 i =     339, E =      -17.5449078425
  O        -0.1823555221       -0.1541493382       -0.5202824687
  H        -0.5041328898       -0.0003843956        0.3577233607
  H         0.7307231613       -0.4893559549       -0.5062258455
  H        -0.6977751791       -0.7296534593       -1.1051063015
       4
 i =     340, E =      -17.5455436328
  O        -0.1856992670       -0.1540903610       -0.5232093789
  H        -0.5027716009       -0.0083595820        0.3563363038
  H         0.7336951381       -0.4781205336       -0.5067913933
  H        -0.7025660477       -0.7485050789       -1.1123069028
       4
 i =     341, E =      -17.5458645437
  O        -0.1879102958       -0.1550533109       -0.5264779662
  H        -0.4997842489       -0.0189704719        0.3570144837
  H         0.7375282502       -0.4708348436       -0.5065287805
  H        -0.7095114064       -0.7653864120       -1.1167706535
       4
 i =     342, E =      -17.5466686178
  O        -0.1898097779       -0.1559329412       -0.5306786339
  H        -0.5004485702       -0.0330168650        0.3628067558
  H         0.7427709657       -0.4584889493       -0.5076713837
  H        -0.7165837891       -0.7776837682       -1.1201187984
       4
 i =     343, E =      -17.5476042731
  O        -0.1923014148       -0.1560083909       -0.5342702307
  H        -0.5046322519       -0.0489864826        0.3757322899
  H         0.7465382900       -0.4447004281       -0.5067987761
  H        -0.7217969883       -0.7921703158       -1.1194551387
       4
 i =     344, E =      -17.5481859107
  O        -0.1955824635       -0.1561234702       -0.5379310477
  H        -0.5078853107       -0.0659918715        0.3913815875
  H         0.7505697914       -0.4272412806       -0.5086013709
  H        -0.7257743711       -0.8053435781       -1.1131385611
       4
 i =     345, E =      -17.5487043353
  O        -0.1977539966       -0.1570996658       -0.5412568615
  H        -0.5119423450       -0.0808900675        0.4035690042
  H         0.7528347421       -0.4083252259       -0.5096699804
  H        -0.7261316601       -0.8138541933       -1.1054460052
       4
 i =     346, E =      -17.5492068392
  O        -0.1999439372       -0.1578617912       -0.5442924772
  H        -0.5161266643       -0.0924965334        0.4153197930
  H         0.7486867112       -0.3884308103       -0.5128097012
  H        -0.7245603611       -0.8167588371       -1.0978411741
       4
 i =     347, E =      -17.5494838009
  O        -0.2024266463       -0.1594393948       -0.5473168573
  H        -0.5182336093       -0.1021178728        0.4252883776
  H         0.7408416657       -0.3667802850       -0.5182868064
  H        -0.7220989153       -0.8199811350       -1.0881409090
       4
 i =     348, E =      -17.5495943378
  O        -0.2050904766       -0.1613064870       -0.5494897678
  H        -0.5221714967       -0.1087244499        0.4314021585
  H         0.7343782967       -0.3440224715       -0.5246179878
  H        -0.7198066321       -0.8262819129       -1.0808359203
       4
 i =     349, E =      -17.5498015855
  O        -0.2085544046       -0.1625399114       -0.5508874249
  H        -0.5289186753       -0.1131100015        0.4339571591
  H         0.7324080890       -0.3202047532       -0.5334412527
  H        -0.7209405338       -0.8341244206       -1.0737470617
       4
 i =     350, E =      -17.5499989994
  O        -0.2125695844       -0.1637515626       -0.5517937959
  H        -0.5373456339       -0.1158792312        0.4330789633
  H         0.7292511819       -0.2928664244       -0.5445005241
  H        -0.7254362364       -0.8404876257       -1.0696957495
       4
 i =     351, E =      -17.5504613100
  O        -0.2160599282       -0.1644380148       -0.5512416733
  H        -0.5468810458       -0.1213136452        0.4256833840
  H         0.7293631610       -0.2649875245       -0.5583229999
  H        -0.7283647829       -0.8482873065       -1.0624438683
       4
 i =     352, E =      -17.5508836854
  O        -0.2201279654       -0.1642959403       -0.5514798278
  H        -0.5546572059       -0.1273767424        0.4129269533
  H         0.7306304327       -0.2360144082       -0.5776219247
  H        -0.7288970024       -0.8559400545       -1.0543182473
       4
 i =     353, E =      -17.5508343789
  O        -0.2255969743       -0.1637583963       -0.5514852201
  H        -0.5628268873       -0.1307711722        0.4001828974
  H         0.7306762960       -0.2086815848       -0.5968080025
  H        -0.7310753739       -0.8616217074       -1.0471299693
       4
 i =     354, E =      -17.5504824974
  O        -0.2316284068       -0.1626110047       -0.5520687503
  H        -0.5680988274       -0.1312911666        0.3853326629
  H         0.7311710379       -0.1858887931       -0.6103904769
  H        -0.7357537202       -0.8619142155       -1.0411587614
       4
 i =     355, E =      -17.5498168093
  O        -0.2378080369       -0.1615747167       -0.5524129511
  H        -0.5760252093       -0.1287078560        0.3703975518
  H         0.7328966442       -0.1656818376       -0.6203171819
  H        -0.7353602942       -0.8616237017       -1.0340338921
       4
 i =     356, E =      -17.5487048531
  O        -0.2452553265       -0.1608556410       -0.5523127665
  H        -0.5808429229       -0.1241106516        0.3541942539
  H         0.7305660191       -0.1458835573       -0.6265190361
  H        -0.7345897818       -0.8612781677       -1.0272923616
       4
 i =     357, E =      -17.5475332842
  O        -0.2521271887       -0.1598208043       -0.5519389238
  H        -0.5896522730       -0.1221113532        0.3421533948
  H         0.7257911884       -0.1296075188       -0.6337091223
  H        -0.7369688637       -0.8635208165       -1.0240289968
       4
 i =     358, E =      -17.5462571272
  O        -0.2584516886       -0.1595150414       -0.5513562066
  H        -0.5962817801       -0.1227180207        0.3306616988
  H         0.7167776041       -0.1157726078       -0.6410316027
  H        -0.7399515889       -0.8711785462       -1.0205813331
       4
 i =     359, E =      -17.5456432053
  O        -0.2641059759       -0.1588642593       -0.5513916548
  H        -0.5988853355       -0.1226340205        0.3266146750
  H         0.7088248099       -0.1065196123       -0.6502395417
  H        -0.7430465871       -0.8841543859       -1.0169559835
       4
 i =     360, E =      -17.5458395897
  O        -0.2695914939       -0.1583220372       -0.5531705780
  H        -0.6024993168       -0.1205836299        0.3299229926
  H         0.6998220584       -0.0975244919       -0.6578365757
  H        -0.7429461202       -0.8952630306       -1.0108943653
       4
 i =     361, E =      -17.5468302332
  O        -0.2746862325       -0.1576416943       -0.5553167994
  H        -0.6011903859       -0.1148905857        0.3394704978
  H         0.6960386907       -0.0928174312       -0.6593125921
  H        -0.7392912570       -0.8998312020       -1.0068947213
       4
 i =     362, E =      -17.5478558628
  O        -0.2796807240       -0.1567181138       -0.5558804627
  H        -0.6010274372       -0.1116842024        0.3509377474
  H         0.6951636456       -0.0926000248       -0.6620617613
  H        -0.7311392155       -0.9020573554       -1.0035159294
       4
 i =     363, E =      -17.5489704501
  O        -0.2843217121       -0.1564474238       -0.5568268576
  H        -0.5992649355       -0.1075279752        0.3639251703
  H         0.6903556169       -0.0959466527       -0.6658698873
  H        -0.7211079007       -0.9063790649       -1.0023456080
       4
 i =     364, E =      -17.5498745976
  O        -0.2893891126       -0.1555495881       -0.5578040941
  H        -0.5996169615       -0.1064545199        0.3798947448
  H         0.6829048799       -0.1007469164       -0.6677247445
  H        -0.7124983959       -0.9079354537       -1.0048837064
       4
 i =     365, E =      -17.5504755102
  O        -0.2942924803       -0.1540004994       -0.5584591768
  H        -0.6005288397       -0.1017614272        0.3945878697
  H         0.6736021728       -0.1036204876       -0.6676357062
  H        -0.7054689362       -0.9106418777       -1.0100852327
       4
 i =     366, E =      -17.5509345347
  O        -0.2993281472       -0.1516345304       -0.5584621117
  H        -0.5952879152       -0.0953842735        0.4059447546
  H         0.6636861579       -0.1098824841       -0.6697403547
  H        -0.6976204546       -0.9142077222       -1.0179698493
       4
 i =     367, E =      -17.5512065795
  O        -0.3039231964       -0.1490326016       -0.5591781774
  H        -0.5877532871       -0.0903072402        0.4152889230
  H         0.6546977014       -0.1159456811       -0.6727734492
  H        -0.6905669962       -0.9192722928       -1.0263814339
       4
 i =     368, E =      -17.5512594603
  O        -0.3076614117       -0.1464902664       -0.5604996776
  H        -0.5770410298       -0.0874316923        0.4238114176
  H         0.6473029257       -0.1207945779       -0.6752382224
  H        -0.6823881081       -0.9241606606       -1.0312370121
       4
 i =     369, E =      -17.5514424894
  O        -0.3115164632       -0.1443983442       -0.5622458245
  H        -0.5630818392       -0.0848683132        0.4253890902
  H         0.6380911387       -0.1278629253       -0.6723121510
  H        -0.6792651857       -0.9298270501       -1.0335402608
       4
 i =     370, E =      -17.5514737190
  O        -0.3154100750       -0.1428653409       -0.5639829787
  H        -0.5526625383       -0.0851589717        0.4248437115
  H         0.6300586872       -0.1354766190       -0.6687358815
  H        -0.6749870811       -0.9363582778       -1.0325968211
       4
 i =     371, E =      -17.5513591430
  O        -0.3192734798       -0.1411529646       -0.5653622797
  H        -0.5398125028       -0.0834557088        0.4231380651
  H         0.6265777586       -0.1432948799       -0.6708671866
  H        -0.6663642939       -0.9458693705       -1.0344381556
       4
 i =     372, E =      -17.5509834965
  O        -0.3230583016       -0.1387330664       -0.5669619118
  H        -0.5274823595       -0.0868485989        0.4219205860
  H         0.6249092179       -0.1588100558       -0.6725714973
  H        -0.6583589961       -0.9546815701       -1.0329502376
       4
 i =     373, E =      -17.5506503806
  O        -0.3268068116       -0.1361118781       -0.5679536255
  H        -0.5168143254       -0.0923625460        0.4192212209
  H         0.6236529138       -0.1694883108       -0.6701895370
  H        -0.6519946471       -0.9622850373       -1.0255935235
       4
 i =     374, E =      -17.5502139805
  O        -0.3301344379       -0.1341695951       -0.5689773561
  H        -0.5053044749       -0.0993467177        0.4168262147
  H         0.6260276912       -0.1784612843       -0.6701300275
  H        -0.6461860785       -0.9677832509       -1.0208642937
       4
 i =     375, E =      -17.5495995808
  O        -0.3340386653       -0.1320168791       -0.5697428009
  H        -0.4958677285       -0.1057846438        0.4194413551
  H         0.6278429184       -0.1894644796       -0.6716340757
  H        -0.6405456478       -0.9714160658       -1.0101249244
       4
 i =     376, E =      -17.5491996978
  O        -0.3382329776       -0.1296899329       -0.5702650208
  H        -0.4907048570       -0.1106511726        0.4216829459
  H         0.6329379173       -0.1938972985       -0.6749453790
  H        -0.6354688907       -0.9736159806       -0.9970748147
       4
 i =     377, E =      -17.5487923551
  O        -0.3430814545       -0.1274020318       -0.5708706934
  H        -0.4857408714       -0.1162844657        0.4200551054
  H         0.6375568236       -0.1985518782       -0.6792444214
  H        -0.6350803635       -0.9729832376       -0.9867324984
       4
 i =     378, E =      -17.5483246547
  O        -0.3469753080       -0.1258000358       -0.5711317437
  H        -0.4807316796       -0.1209934101        0.4187209276
  H         0.6409928651       -0.2043790859       -0.6837201065
  H        -0.6357439230       -0.9704872039       -0.9751217827
       4
 i =     379, E =      -17.5481191838
  O        -0.3497097261       -0.1250494645       -0.5714510553
  H        -0.4762314244       -0.1245001967        0.4137275510
  H         0.6447156437       -0.2029486588       -0.6916756871
  H        -0.6372959349       -0.9691374535       -0.9630785396
       4
 i =     380, E =      -17.5479636205
  O        -0.3528837241       -0.1245948089       -0.5717044975
  H        -0.4740927159       -0.1296589388        0.4085338917
  H         0.6437294476       -0.1976623747       -0.6975210658
  H        -0.6377171556       -0.9662953078       -0.9542238999
       4
 i =     381, E =      -17.5480763399
  O        -0.3558993995       -0.1232272777       -0.5723025914
  H        -0.4712332779       -0.1369378696        0.4062638847
  H         0.6431590250       -0.1890231960       -0.7006949373
  H        -0.6404486955       -0.9668717915       -0.9542292332
       4
 i =     382, E =      -17.5483960150
  O        -0.3577764682       -0.1217156332       -0.5727564186
  H        -0.4719223590       -0.1447027147        0.4082413176
  H         0.6391837983       -0.1822722830       -0.7069952788
  H        -0.6449710109       -0.9689336462       -0.9545274913
       4
 i =     383, E =      -17.5488812046
  O        -0.3589975898       -0.1197235142       -0.5735492376
  H        -0.4744460966       -0.1506925304        0.4102309406
  H         0.6347543821       -0.1747834402       -0.7146570977
  H        -0.6526170803       -0.9732857220       -0.9532942514
       4
 i =     384, E =      -17.5493589470
  O        -0.3612633210       -0.1183968863       -0.5753623438
  H        -0.4774746182       -0.1549322785        0.4126375045
  H         0.6297354604       -0.1647183330       -0.7233020520
  H        -0.6638726956       -0.9772603335       -0.9515742050
       4
 i =     385, E =      -17.5500147325
  O        -0.3629825142       -0.1174253503       -0.5776155143
  H        -0.4842252369       -0.1593946965        0.4097297573
  H         0.6202916039       -0.1510627850       -0.7352339865
  H        -0.6751725826       -0.9819715600       -0.9510212774
       4
 i =     386, E =      -17.5505726131
  O        -0.3642865529       -0.1169013203       -0.5791407723
  H        -0.4950435938       -0.1633361950        0.4037654192
  H         0.6086799573       -0.1341259682       -0.7507476746
  H        -0.6887112015       -0.9868382965       -0.9522919923
       4
 i =     387, E =      -17.5509139817
  O        -0.3645950737       -0.1168377286       -0.5800802764
  H        -0.5037308035       -0.1650128805        0.3980223522
  H         0.5966965911       -0.1167889600       -0.7661918636
  H        -0.6986467317       -0.9896573607       -0.9557044960
       4
 i =     388, E =      -17.5509909495
  O        -0.3657778364       -0.1162504960       -0.5816928578
  H        -0.5156259289       -0.1660738390        0.3949134386
  H         0.5881758061       -0.0964223522       -0.7787343032
  H        -0.7105078350       -0.9927830414       -0.9644511124
       4
 i =     389, E =      -17.5509768009
  O        -0.3670978896       -0.1162140385       -0.5835754450
  H        -0.5284191295       -0.1629354821        0.3963307637
  H         0.5819650019       -0.0754098295       -0.7884670632
  H        -0.7247919346       -0.9940731545       -0.9739427336
       4
 i =     390, E =      -17.5511371729
  O        -0.3677489555       -0.1153838253       -0.5850328423
  H        -0.5332352852       -0.1605729814        0.3984551265
  H         0.5772484938       -0.0541675411       -0.8018537151
  H        -0.7330896129       -0.9886185043       -0.9827881693
       4
 i =     391, E =      -17.5513387073
  O        -0.3687987154       -0.1149850715       -0.5861712702
  H        -0.5382617775       -0.1622509451        0.3977199065
  H         0.5741639886       -0.0336101997       -0.8159277071
  H        -0.7384330077       -0.9810990554       -0.9896665524
       4
 i =     392, E =      -17.5513739932
  O        -0.3698478546       -0.1138583710       -0.5881441006
  H        -0.5388045943       -0.1644712027        0.3928306972
  H         0.5731305924       -0.0141152451       -0.8311613662
  H        -0.7395412310       -0.9767198912       -0.9969851417
       4
 i =     393, E =      -17.5513198942
  O        -0.3698332044       -0.1136469479       -0.5900482236
  H        -0.5405155888       -0.1658727373        0.3845620327
  H         0.5701020256        0.0128135641       -0.8444580054
  H        -0.7398957688       -0.9732179274       -1.0053959538
       4
 i =     394, E =      -17.5512427075
  O        -0.3708468408       -0.1141139703       -0.5916026274
  H        -0.5393060853       -0.1666867629        0.3709299964
  H         0.5684580511        0.0413768510       -0.8588135066
  H        -0.7379745337       -0.9666641789       -1.0159889629
       4
 i =     395, E =      -17.5511447446
  O        -0.3727576831       -0.1138382553       -0.5938563083
  H        -0.5382939642       -0.1669820248        0.3595297703
  H         0.5665744511        0.0640627464       -0.8684821224
  H        -0.7342284380       -0.9572126135       -1.0256043269
       4
 i =     396, E =      -17.5512571149
  O        -0.3745858819       -0.1124581117       -0.5969788399
  H        -0.5353272774       -0.1676379305        0.3520321170
  H         0.5585261441        0.0860021564       -0.8790297361
  H        -0.7271455078       -0.9460011622       -1.0373163558
       4
 i =     397, E =      -17.5512535579
  O        -0.3766755084       -0.1107855441       -0.5996527440
  H        -0.5338471989       -0.1628752867        0.3474101434
  H         0.5497229089        0.1080132569       -0.8883983752
  H        -0.7238599949       -0.9361953773       -1.0489326045
       4
 i =     398, E =      -17.5513366359
  O        -0.3793923557       -0.1093789142       -0.6030487144
  H        -0.5327456101       -0.1595418757        0.3459000330
  H         0.5379948010        0.1314851779       -0.9000482419
  H        -0.7225484798       -0.9243613027       -1.0607327573
       4
 i =     399, E =      -17.5516333987
  O        -0.3824086189       -0.1079354237       -0.6071870844
  H        -0.5321592553       -0.1534510583        0.3499028120
  H         0.5239005391        0.1513716186       -0.9095635993
  H        -0.7210964092       -0.9102849042       -1.0730027752
       4
 i =     400, E =      -17.5515765074
  O        -0.3848375590       -0.1071384856       -0.6119440481
  H        -0.5314604806       -0.1478755050        0.3560541715
  H         0.5090733485        0.1711448772       -0.9218013064
  H        -0.7174614844       -0.8910699404       -1.0818128900
       4
 i =     401, E =      -17.5511219541
  O        -0.3865552126       -0.1067522654       -0.6160563132
  H        -0.5275637683       -0.1427523983        0.3613610156
  H         0.4951401770        0.1917607622       -0.9322224366
  H        -0.7166625491       -0.8776527501       -1.0907973559
       4
 i =     402, E =      -17.5505061834
  O        -0.3885546079       -0.1066550211       -0.6195668293
  H        -0.5188793593       -0.1420647776        0.3667162289
  H         0.4809332889        0.2143493593       -0.9392459083
  H        -0.7167524632       -0.8647412446       -1.0990971537
       4
 i =     403, E =      -17.5498640710
  O        -0.3917783754       -0.1065387406       -0.6226388548
  H        -0.5075310319       -0.1369893822        0.3728712861
  H         0.4652946258        0.2341833462       -0.9472064163
  H        -0.7137197793       -0.8552046575       -1.1093796871
       4
 i =     404, E =      -17.5492198584
  O        -0.3952492377       -0.1067991541       -0.6248141418
  H        -0.4951202734       -0.1324631789        0.3789646825
  H         0.4477448104        0.2542245770       -0.9561179612
  H        -0.7133612390       -0.8498339561       -1.1159772221
       4
 i =     405, E =      -17.5488905639
  O        -0.3989738976       -0.1074268929       -0.6274674416
  H        -0.4800529514       -0.1305672484        0.3806338110
  H         0.4312249721        0.2752097421       -0.9640174359
  H        -0.7132894069       -0.8481272552       -1.1236566053
       4
 i =     406, E =      -17.5487768152
  O        -0.4034984682       -0.1084524660       -0.6296606829
  H        -0.4661235298       -0.1314873050        0.3819201181
  H         0.4181945211        0.2966108891       -0.9669029824
  H        -0.7122349904       -0.8500720278       -1.1327237656
       4
 i =     407, E =      -17.5487745065
  O        -0.4075954481       -0.1094347487       -0.6300214179
  H        -0.4555316802       -0.1255240316        0.3797368222
  H         0.4051306587        0.3194169890       -0.9711942582
  H        -0.7110132541       -0.8513718976       -1.1412190729
       4
 i =     408, E =      -17.5487818252
  O        -0.4109138799       -0.1107632812       -0.6290932380
  H        -0.4431078132       -0.1196905889        0.3778480276
  H         0.3994261102        0.3384794278       -0.9759663972
  H        -0.7113826234       -0.8543276275       -1.1475477934
       4
 i =     409, E =      -17.5485103695
  O        -0.4136447739       -0.1117227334       -0.6284105994
  H        -0.4304757067       -0.1145735853        0.3771186962
  H         0.3975375416        0.3578007085       -0.9790305899
  H        -0.7092344575       -0.8590312563       -1.1570687566
       4
 i =     410, E =      -17.5483063378
  O        -0.4162526415       -0.1125621382       -0.6281340766
  H        -0.4239979661       -0.1094570236        0.3742754893
  H         0.3936635484        0.3730096742       -0.9843482547
  H        -0.7059284288       -0.8684753382       -1.1654670722
       4
 i =     411, E =      -17.5479385901
  O        -0.4189748947       -0.1135453725       -0.6278895095
  H        -0.4168296877       -0.1073485337        0.3675080159
  H         0.3902215042        0.3841569411       -0.9896512642
  H        -0.7025707884       -0.8769902001       -1.1763798012
       4
 i =     412, E =      -17.5477916449
  O        -0.4203733137       -0.1138983368       -0.6272187502
  H        -0.4095821015       -0.1046515110        0.3632140057
  H         0.3814334928        0.3929793137       -0.9898029103
  H        -0.6955641978       -0.8857285780       -1.1856018018
       4
 i =     413, E =      -17.5476457467
  O        -0.4217673710       -0.1133045820       -0.6261554542
  H        -0.3995048801       -0.1024473982        0.3567931404
  H         0.3704228371        0.4009784547       -0.9886413605
  H        -0.6881650479       -0.8920013820       -1.1943837047
       4
 i =     414, E =      -17.5474062547
  O        -0.4237095959       -0.1127606511       -0.6250413763
  H        -0.3905635676       -0.1006369291        0.3505190235
  H         0.3594659741        0.4096175790       -0.9854265541
  H        -0.6796365628       -0.8979367860       -1.2003637411
       4
 i =     415, E =      -17.5476590495
  O        -0.4256119650       -0.1125415829       -0.6243268464
  H        -0.3850303003       -0.1038521488        0.3451735609
  H         0.3449823911        0.4135843138       -0.9782323506
  H        -0.6714023576       -0.8970778872       -1.2035587295
       4
 i =     416, E =      -17.5477521361
  O        -0.4265016060       -0.1131780662       -0.6245877104
  H        -0.3809859521       -0.1023634806        0.3403426291
  H         0.3284478535        0.4209745487       -0.9709273135
  H        -0.6634872835       -0.8959066677       -1.2042260158
       4
 i =     417, E =      -17.5478617684
  O        -0.4267014736       -0.1135735334       -0.6251635086
  H        -0.3727441970       -0.1040523790        0.3385777978
  H         0.3095868398        0.4271465593       -0.9658547507
  H        -0.6608479038       -0.8897928803       -1.2025870660
       4
 i =     418, E =      -17.5478157518
  O        -0.4270890277       -0.1145589484       -0.6254610513
  H        -0.3639546796       -0.1104047928        0.3328973120
  H         0.2878362771        0.4379967070       -0.9652059568
  H        -0.6598817657       -0.8826432661       -1.1988475061
       4
 i =     419, E =      -17.5478289411
  O        -0.4272810893       -0.1160729843       -0.6255231612
  H        -0.3567600555       -0.1212253701        0.3284974776
  H         0.2651760689        0.4504634334       -0.9686180036
  H        -0.6569380678       -0.8772149203       -1.1923812856
       4
 i =     420, E =      -17.5475910154
  O        -0.4279676076       -0.1179719058       -0.6256047129
  H        -0.3479702854       -0.1342623076        0.3259990388
  H         0.2453026584        0.4602319821       -0.9647472933
  H        -0.6576557027       -0.8739213112       -1.1822587043
       4
 i =     421, E =      -17.5480462841
  O        -0.4298919536       -0.1194291860       -0.6262842390
  H        -0.3416818972       -0.1499412515        0.3254684482
  H         0.2281900426        0.4738629789       -0.9700202326
  H        -0.6567691166       -0.8746375985       -1.1698670830
       4
 i =     422, E =      -17.5487943080
  O        -0.4316022964       -0.1203860239       -0.6263097756
  H        -0.3397627603       -0.1722984704        0.3317400498
  H         0.2135629140        0.4872954569       -0.9723063023
  H        -0.6544922717       -0.8772699306       -1.1558660789
       4
 i =     423, E =      -17.5495216927
  O        -0.4338451251       -0.1212120690       -0.6263705808
  H        -0.3370828126       -0.1945510070        0.3390677703
  H         0.2041003677        0.5033696748       -0.9764584091
  H        -0.6523802857       -0.8803110603       -1.1446691541
       4
 i =     424, E =      -17.5500397455
  O        -0.4358280640       -0.1218616905       -0.6248234142
  H        -0.3350249814       -0.2209966504        0.3497669207
  H         0.1971971810        0.5186186787       -0.9807436682
  H        -0.6547239658       -0.8828350594       -1.1354711851
       4
 i =     425, E =      -17.5503692623
  O        -0.4382225220       -0.1231699167       -0.6236949156
  H        -0.3329405208       -0.2470060982        0.3586721087
  H         0.1938182922        0.5336308335       -0.9868672630
  H        -0.6550037655       -0.8906742042       -1.1294779742
       4
 i =     426, E =      -17.5504889636
  O        -0.4404132920       -0.1238877549       -0.6218371466
  H        -0.3311349693       -0.2691292693        0.3665847623
  H         0.1882172759        0.5488843252       -0.9956268995
  H        -0.6529336786       -0.9014652436       -1.1281907776
       4
 i =     427, E =      -17.5502299067
  O        -0.4426099774       -0.1248008125       -0.6201595986
  H        -0.3301189528       -0.2884066895        0.3711937953
  H         0.1797837404        0.5647594440       -1.0016519757
  H        -0.6477407936       -0.9146600704       -1.1281545595
       4
 i =     428, E =      -17.5497832554
  O        -0.4438712738       -0.1263861844       -0.6185460737
  H        -0.3274815306       -0.3047477776        0.3729372405
  H         0.1684118963        0.5799300432       -1.0056783098
  H        -0.6420544225       -0.9340695081       -1.1277274231
       4
 i =     429, E =      -17.5491354965
  O        -0.4456247327       -0.1281003135       -0.6181689760
  H        -0.3288447805       -0.3200858626        0.3674743303
  H         0.1559981354        0.5932603105       -1.0104825423
  H        -0.6386369412       -0.9553448915       -1.1312064941
       4
 i =     430, E =      -17.5482087962
  O        -0.4476352592       -0.1300900707       -0.6182235926
  H        -0.3330270818       -0.3314182121        0.3566571984
  H         0.1406648096        0.6032516186       -1.0177037165
  H        -0.6355484898       -0.9792902498       -1.1338165198
       4
 i =     431, E =      -17.5470334642
  O        -0.4503285177       -0.1319505519       -0.6179118661
  H        -0.3381986566       -0.3413172121        0.3428229812
  H         0.1267012557        0.6136438535       -1.0241943698
  H        -0.6310256329       -0.9987526723       -1.1321396960
       4
 i =     432, E =      -17.5462572099
  O        -0.4530066199       -0.1331300004       -0.6172772147
  H        -0.3396148487       -0.3496846245        0.3288844439
  H         0.1153538690        0.6179615337       -1.0273312994
  H        -0.6297846490       -1.0108427404       -1.1276613252
       4
 i =     433, E =      -17.5458652172
  O        -0.4561576975       -0.1347625394       -0.6165782838
  H        -0.3419478135       -0.3553290193        0.3175643268
  H         0.1046979152        0.6192637976       -1.0309668644
  H        -0.6211993674       -1.0170087268       -1.1278625597
       4
 i =     434, E =      -17.5455424963
  O        -0.4588818860       -0.1366203875       -0.6160761346
  H        -0.3418058796       -0.3633585837        0.3058977448
  H         0.0912284396        0.6221917430       -1.0359214058
  H        -0.6138581049       -1.0186267261       -1.1236527572
       4
 i =     435, E =      -17.5456690634
  O        -0.4624968999       -0.1386580816       -0.6159828196
  H        -0.3480039655       -0.3693510292        0.2986397614
  H         0.0814624202        0.6213707299       -1.0424217558
  H        -0.6051121294       -1.0129926457       -1.1200826591
       4
 i =     436, E =      -17.5467431483
  O        -0.4650757362       -0.1408802375       -0.6170872522
  H        -0.3507368820       -0.3768246950        0.3012262200
  H         0.0724873342        0.6141218751       -1.0457630441
  H        -0.5991353102       -1.0030851822       -1.1161384268
       4
 i =     437, E =      -17.5478281002
  O        -0.4686133057       -0.1434521263       -0.6175059531
  H        -0.3534671664       -0.3819353882        0.3092832827
  H         0.0588967488        0.6043895144       -1.0464601037
  H        -0.5906601340       -0.9923403938       -1.1119742215
       4
 i =     438, E =      -17.5485026743
  O        -0.4728585424       -0.1454755124       -0.6180519947
  H        -0.3538394755       -0.3825304791        0.3193112247
  H         0.0479950952        0.5938990999       -1.0428102715
  H        -0.5867741982       -0.9823208173       -1.1102825302
       4
 i =     439, E =      -17.5486394432
  O        -0.4770282629       -0.1476786796       -0.6188253502
  H        -0.3555156219       -0.3822037252        0.3317776406
  H         0.0387422433        0.5827956212       -1.0424116299
  H        -0.5874520117       -0.9745298751       -1.1106121513
       4
 i =     440, E =      -17.5486028494
  O        -0.4811133069       -0.1508835502       -0.6193258259
  H        -0.3544381640       -0.3786140119        0.3386702765
  H         0.0257451470        0.5735115465       -1.0441739275
  H        -0.5879430448       -0.9695003758       -1.1106646734
       4
 i =     441, E =      -17.5486972007
  O        -0.4845406737       -0.1535468962       -0.6194426154
  H        -0.3557532449       -0.3754121320        0.3402711252
  H         0.0182015790        0.5684328089       -1.0452598176
  H        -0.5906245948       -0.9647096171       -1.1107112870
       4
 i =     442, E =      -17.5487029953
  O        -0.4876009788       -0.1560805762       -0.6191902075
  H        -0.3558562402       -0.3719303176        0.3459536288
  H         0.0107086052        0.5616131938       -1.0450828397
  H        -0.5919755630       -0.9606096788       -1.1121226031
       4
 i =     443, E =      -17.5489641346
  O        -0.4898830798       -0.1587315912       -0.6185880926
  H        -0.3535104168       -0.3681040158        0.3482352600
  H         0.0037179007        0.5573307917       -1.0424033778
  H        -0.5877047629       -0.9581372063       -1.1177397116
       4
 i =     444, E =      -17.5499241634
  O        -0.4922830745       -0.1618425013       -0.6177153969
  H        -0.3532612868       -0.3606297791        0.3446174570
  H        -0.0012517277        0.5566938539       -1.0360299667
  H        -0.5836949366       -0.9600807637       -1.1297554006
       4
 i =     445, E =      -17.5507919926
  O        -0.4951207029       -0.1646523330       -0.6169299735
  H        -0.3518018299       -0.3534883198        0.3377940611
  H        -0.0088851233        0.5602407250       -1.0313434769
  H        -0.5807068394       -0.9580898859       -1.1463600663
       4
 i =     446, E =      -17.5514306541
  O        -0.4974265163       -0.1666921212       -0.6165309573
  H        -0.3507256069       -0.3483077612        0.3318141909
  H        -0.0120517917        0.5619468908       -1.0288530290
  H        -0.5792416777       -0.9575398346       -1.1622332224
       4
 i =     447, E =      -17.5518917198
  O        -0.5007520799       -0.1701205565       -0.6162607331
  H        -0.3476411898       -0.3473053221        0.3270533397
  H        -0.0139601861        0.5644938656       -1.0244802505
  H        -0.5806600843       -0.9578418033       -1.1760685375
       4
 i =     448, E =      -17.5520732498
  O        -0.5043525649       -0.1734496708       -0.6149957541
  H        -0.3448460871       -0.3463658179        0.3244549421
  H        -0.0189653758        0.5665801632       -1.0230828617
  H        -0.5789514296       -0.9625515104       -1.1876591703
       4
 i =     449, E =      -17.5520548559
  O        -0.5085708711       -0.1765996801       -0.6137692514
  H        -0.3416136877       -0.3453342087        0.3220336523
  H        -0.0212548785        0.5667078069       -1.0235658087
  H        -0.5764225404       -0.9661619237       -1.1968906839
       4
 i =     450, E =      -17.5519316876
  O        -0.5132097981       -0.1789017695       -0.6129212280
  H        -0.3366408878       -0.3442496525        0.3228948023
  H        -0.0236787377        0.5709118815       -1.0240282762
  H        -0.5743963961       -0.9712713109       -1.2072486836
       4
 i =     451, E =      -17.5515650441
  O        -0.5179307326       -0.1814282595       -0.6124954301
  H        -0.3278062504       -0.3418280150        0.3224321940
  H        -0.0256288198        0.5757614809       -1.0266630426
  H        -0.5757186669       -0.9721119147       -1.2185299774
       4
 i =     452, E =      -17.5510038420
  O        -0.5233965397       -0.1843036310       -0.6131587467
  H        -0.3176326620       -0.3391150032        0.3265874687
  H        -0.0296557109        0.5772243820       -1.0308151733
  H        -0.5763426504       -0.9725186290       -1.2319187469
       4
 i =     453, E =      -17.5503101960
  O        -0.5285170258       -0.1881552663       -0.6137954941
  H        -0.3084273282       -0.3420527084        0.3312222251
  H        -0.0333283943        0.5816866685       -1.0323120791
  H        -0.5755470314       -0.9699707043       -1.2427288422
       4
 i =     454, E =      -17.5495670747
  O        -0.5341723511       -0.1916991468       -0.6140247317
  H        -0.2991341130       -0.3457747165        0.3344235988
  H        -0.0365769405        0.5822159000       -1.0345009141
  H        -0.5702695482       -0.9671645362       -1.2532910208
       4
 i =     455, E =      -17.5491030321
  O        -0.5395380043       -0.1946439560       -0.6149538018
  H        -0.2895539780       -0.3508046039        0.3353634730
  H        -0.0385631147        0.5804457081       -1.0344884107
  H        -0.5703047844       -0.9681765580       -1.2559767087
       4
 i =     456, E =      -17.5487567319
  O        -0.5448833426       -0.1974029486       -0.6162314266
  H        -0.2814366714       -0.3564948351        0.3369087055
  H        -0.0426662217        0.5774206712       -1.0324345080
  H        -0.5713522564       -0.9663665705       -1.2587501185
       4
 i =     457, E =      -17.5485252136
  O        -0.5504775867       -0.1987745048       -0.6175272483
  H        -0.2723174881       -0.3638231977        0.3371307776
  H        -0.0484699381        0.5734032923       -1.0274909882
  H        -0.5696122442       -0.9627886230       -1.2614049577
       4
 i =     458, E =      -17.5484607935
  O        -0.5545664700       -0.1994978142       -0.6188465037
  H        -0.2662187564       -0.3715348306        0.3326176530
  H        -0.0585294491        0.5675495931       -1.0218224494
  H        -0.5700034645       -0.9536915632       -1.2608999578
       4
 i =     459, E =      -17.5483677053
  O        -0.5584840189       -0.2003668355       -0.6202057184
  H        -0.2559266693       -0.3839319052        0.3246241553
  H        -0.0696384411        0.5593343800       -1.0148917775
  H        -0.5692045396       -0.9446758822       -1.2597014161
       4
 i =     460, E =      -17.5480691450
  O        -0.5626285696       -0.2017134557       -0.6214198690
  H        -0.2476946399       -0.3969824740        0.3155022323
  H        -0.0821252680        0.5546305393       -1.0062874686
  H        -0.5659680981       -0.9371481596       -1.2552119779
       4
 i =     461, E =      -17.5477400074
  O        -0.5663046438       -0.2035254097       -0.6231796334
  H        -0.2400682267       -0.4083616649        0.3060141143
  H        -0.0872774292        0.5505191169       -0.9970530041
  H        -0.5615786171       -0.9319704971       -1.2506910871
       4
 i =     462, E =      -17.5477371967
  O        -0.5703608706       -0.2050753375       -0.6244239780
  H        -0.2323999097       -0.4219986392        0.2958057473
  H        -0.0926355026        0.5483072057       -0.9887481382
  H        -0.5542668830       -0.9291607541       -1.2464825142
       4
 i =     463, E =      -17.5484026123
  O        -0.5746595755       -0.2065907261       -0.6257529474
  H        -0.2249196861       -0.4317010785        0.2835579930
  H        -0.0995648663        0.5516036861       -0.9820040294
  H        -0.5440273066       -0.9337877306       -1.2449377467
       4
 i =     464, E =      -17.5491697530
  O        -0.5783704819       -0.2089968387       -0.6264903348
  H        -0.2177536535       -0.4437721803        0.2708800108
  H        -0.1059104949        0.5565781933       -0.9764396822
  H        -0.5351338132       -0.9386499272       -1.2443556218
       4
 i =     465, E =      -17.5499441185
  O        -0.5811380451       -0.2106473738       -0.6279020742
  H        -0.2118050610       -0.4561383467        0.2553830699
  H        -0.1112159884        0.5610175081       -0.9689155949
  H        -0.5273970129       -0.9463077059       -1.2462354870
       4
 i =     466, E =      -17.5507019535
  O        -0.5833706502       -0.2119940914       -0.6293068749
  H        -0.2083331775       -0.4683369965        0.2387521251
  H        -0.1119892411        0.5653068510       -0.9638160310
  H        -0.5160388282       -0.9547238733       -1.2503532805
       4
 i =     467, E =      -17.5513384856
  O        -0.5850689661       -0.2129922648       -0.6315880966
  H        -0.2057769877       -0.4800737656        0.2250779037
  H        -0.1107192800        0.5722104882       -0.9593078746
  H        -0.5057922334       -0.9663089078       -1.2554393293
       4
 i =     468, E =      -17.5515356349
  O        -0.5866877711       -0.2133742410       -0.6340811047
  H        -0.2009477638       -0.4922672754        0.2121319767
  H        -0.1081695668        0.5824407112       -0.9550141429
  H        -0.4960382904       -0.9804164972       -1.2580960283
       4
 i =     469, E =      -17.5512938275
  O        -0.5885204686       -0.2138464049       -0.6362359857
  H        -0.1990425248       -0.5073056140        0.2028086316
  H        -0.1120517168        0.5935024390       -0.9476598035
  H        -0.4872191893       -0.9948644125       -1.2609585952
       4
 i =     470, E =      -17.5508921337
  O        -0.5902793457       -0.2137313816       -0.6381154363
  H        -0.1969635314       -0.5204669509        0.1954984792
  H        -0.1170882977        0.6046723662       -0.9441546116
  H        -0.4793336985       -1.0049369238       -1.2615728979
       4
 i =     471, E =      -17.5503950558
  O        -0.5916538624       -0.2139428691       -0.6395975626
  H        -0.1984342923       -0.5319595258        0.1910659030
  H        -0.1218318512        0.6191209608       -0.9362465784
  H        -0.4703312194       -1.0096931964       -1.2588932474
       4
 i =     472, E =      -17.5497200214
  O        -0.5929685430       -0.2156123704       -0.6414762900
  H        -0.1977975323       -0.5462690910        0.1895376988
  H        -0.1280395532        0.6340744821       -0.9239397443
  H        -0.4637409809       -1.0144862632       -1.2557467206
       4
 i =     473, E =      -17.5488053648
  O        -0.5935444177       -0.2166423733       -0.6435302717
  H        -0.1988193362       -0.5555359245        0.1901164319
  H        -0.1311270119        0.6464650341       -0.9157020690
  H        -0.4544194680       -1.0197888595       -1.2520039832
       4
 i =     474, E =      -17.5480226564
  O        -0.5943472974       -0.2188763111       -0.6446424318
  H        -0.1993485825       -0.5605202356        0.1895620093
  H        -0.1356762344        0.6559500471       -0.9075726196
  H        -0.4446394735       -1.0227232641       -1.2516464020
       4
 i =     475, E =      -17.5475480944
  O        -0.5947046068       -0.2215042103       -0.6456196380
  H        -0.1989462249       -0.5649488538        0.1901290149
  H        -0.1450814612        0.6637945185       -0.9031185853
  H        -0.4400234753       -1.0221915838       -1.2502319426
       4
 i =     476, E =      -17.5476221347
  O        -0.5950376638       -0.2245501019       -0.6474653458
  H        -0.1989240228       -0.5623832790        0.1968351689
  H        -0.1560985449        0.6677377236       -0.8951595719
  H        -0.4341932795       -1.0185340275       -1.2527196068
       4
 i =     477, E =      -17.5478688544
  O        -0.5956386715       -0.2278870615       -0.6485675445
  H        -0.1968664813       -0.5575154524        0.2051466658
  H        -0.1674518241        0.6678875254       -0.8907292456
  H        -0.4245534221       -1.0106812665       -1.2505072700
       4
 i =     478, E =      -17.5482627515
  O        -0.5967851325       -0.2305912671       -0.6486221001
  H        -0.1914563028       -0.5545621993        0.2140249669
  H        -0.1798738315        0.6607147829       -0.8855431102
  H        -0.4151837089       -0.9984731076       -1.2512644941
       4
 i =     479, E =      -17.5482813519
  O        -0.5976910438       -0.2320184552       -0.6498236606
  H        -0.1872769901       -0.5534206314        0.2260253672
  H        -0.1927544733        0.6506315757       -0.8833834625
  H        -0.4073893658       -0.9859166696       -1.2546825471
       4
 i =     480, E =      -17.5477154835
  O        -0.5991722422       -0.2330469275       -0.6509750770
  H        -0.1858619491       -0.5536225890        0.2350665870
  H        -0.2044036746        0.6392686945       -0.8835391269
  H        -0.3999014115       -0.9749085312       -1.2558290337
       4
 i =     481, E =      -17.5467972428
  O        -0.6001327580       -0.2330380682       -0.6520649565
  H        -0.1818590126       -0.5479910420        0.2439855026
  H        -0.2152381468        0.6263760113       -0.8864407187
  H        -0.3933571948       -0.9664233150       -1.2577380041
       4
 i =     482, E =      -17.5459171429
  O        -0.6005987134       -0.2330956988       -0.6534850766
  H        -0.1812539434       -0.5397504964        0.2532016919
  H        -0.2237457578        0.6184079331       -0.8889140070
  H        -0.3895865380       -0.9615192364       -1.2591397147
       4
 i =     483, E =      -17.5459174767
  O        -0.6008978877       -0.2323118684       -0.6547041831
  H        -0.1844050769       -0.5296499551        0.2564417727
  H        -0.2305303083        0.6174261571       -0.8937230707
  H        -0.3860248211       -0.9527391218       -1.2651885318
       4
 i =     484, E =      -17.5471027309
  O        -0.6018036193       -0.2322557914       -0.6563967465
  H        -0.1909181393       -0.5162901018        0.2525567176
  H        -0.2380888097        0.6216050417       -0.9029870004
  H        -0.3819788460       -0.9439871265       -1.2786815425
       4
 i =     485, E =      -17.5483163284
  O        -0.6021557494       -0.2331739504       -0.6574514769
  H        -0.2003128730       -0.5035861209        0.2495500760
  H        -0.2445242353        0.6264902032       -0.9109174742
  H        -0.3754223167       -0.9376428191       -1.2922697605
       4
 i =     486, E =      -17.5496024365
  O        -0.6022202380       -0.2346552089       -0.6589547622
  H        -0.2088461180       -0.4908253153        0.2416602852
  H        -0.2517789228        0.6352637721       -0.9209236844
  H        -0.3723311217       -0.9345287926       -1.3091552951
       4
 i =     487, E =      -17.5504401560
  O        -0.6028674959       -0.2362087676       -0.6607306513
  H        -0.2163281843       -0.4776901239        0.2297073344
  H        -0.2576819592        0.6447464382       -0.9330556554
  H        -0.3664568803       -0.9302651522       -1.3259260144
       4
 i =     488, E =      -17.5507021145
  O        -0.6041111324       -0.2377866724       -0.6617677041
  H        -0.2260262169       -0.4661392355        0.2178572507
  H        -0.2640771100        0.6540596430       -0.9472759719
  H        -0.3643884835       -0.9222687524       -1.3414149803
       4
 i =     489, E =      -17.5501731563
  O        -0.6060931964       -0.2386758229       -0.6623851314
  H        -0.2386380467       -0.4570707082        0.2067739879
  H        -0.2720799340        0.6617005531       -0.9621111334
  H        -0.3593912849       -0.9152703217       -1.3571384746
       4
 i =     490, E =      -17.5490958191
  O        -0.6077003899       -0.2400953849       -0.6628663462
  H        -0.2481899371       -0.4538189413        0.1991086969
  H        -0.2781062773        0.6699436157       -0.9784031250
  H        -0.3576551268       -0.9153141849       -1.3720757366
       4
 i =     491, E =      -17.5480094315
  O        -0.6093206163       -0.2413802476       -0.6642052247
  H        -0.2564933874       -0.4529533245        0.1952793394
  H        -0.2821790653        0.6769843438       -0.9919276149
  H        -0.3563012948       -0.9157280025       -1.3871506937
       4
 i =     492, E =      -17.5472325523
  O        -0.6096734530       -0.2429548341       -0.6666630668
  H        -0.2640794655       -0.4512215278        0.1969384041
  H        -0.2860399111        0.6832511848       -1.0058898044
  H        -0.3527355287       -0.9177727814       -1.3995069434
       4
 i =     493, E =      -17.5468377754
  O        -0.6103170668       -0.2446690852       -0.6686050026
  H        -0.2679468558       -0.4489369845        0.2018240973
  H        -0.2947863454        0.6853318124       -1.0217083092
  H        -0.3524279958       -0.9177054891       -1.4085558585
       4
 i =     494, E =      -17.5471331916
  O        -0.6110228030       -0.2465384709       -0.6706570570
  H        -0.2692978389       -0.4479340922        0.2102999181
  H        -0.3065186453        0.6832899150       -1.0344897007
  H        -0.3509754619       -0.9135809211       -1.4151108928
       4
 i =     495, E =      -17.5476717581
  O        -0.6115238175       -0.2471720343       -0.6744335591
  H        -0.2682643822       -0.4499029143        0.2183221286
  H        -0.3188108379        0.6811796465       -1.0430512106
  H        -0.3527967760       -0.9131785412       -1.4201172922
       4
 i =     496, E =      -17.5484741918
  O        -0.6125518329       -0.2481857286       -0.6787461415
  H        -0.2650537900       -0.4561546207        0.2255964312
  H        -0.3310666330        0.6721273962       -1.0519843752
  H        -0.3558028745       -0.9072914482       -1.4209070676
       4
 i =     497, E =      -17.5488854290
  O        -0.6138685336       -0.2485088501       -0.6839426905
  H        -0.2633949925       -0.4614093329        0.2334007667
  H        -0.3420379452        0.6631361854       -1.0591757951
  H        -0.3593260782       -0.9024432582       -1.4208530966
       4
 i =     498, E =      -17.5488851066
  O        -0.6149227603       -0.2497711532       -0.6888340375
  H        -0.2577692007       -0.4654497345        0.2378744101
  H        -0.3489861117        0.6505722100       -1.0683584733
  H        -0.3647455777       -0.8960013830       -1.4168282757
       4
 i =     499, E =      -17.5486107240
  O        -0.6148108860       -0.2517160919       -0.6933073757
  H        -0.2491631517       -0.4679037279        0.2381422443
  H        -0.3567784905        0.6352518957       -1.0760496988
  H        -0.3673471718       -0.8901952000       -1.4110461192
       4
 i =     500, E =      -17.5479688424
  O        -0.6142019460       -0.2528890564       -0.6975623040
  H        -0.2444858343       -0.4701932604        0.2371482415
  H        -0.3619630236        0.6209680778       -1.0776143972
  H        -0.3719652946       -0.8830322891       -1.4060409999
       4
 i =     501, E =      -17.5471141934
  O        -0.6137948369       -0.2535369286       -0.7021346807
  H        -0.2410173489       -0.4724562952        0.2323517924
  H        -0.3689723675        0.6084806716       -1.0762760516
  H        -0.3766202387       -0.8800766327       -1.3991848803
       4
 i =     502, E =      -17.5469995074
  O        -0.6135935805       -0.2546106864       -0.7055052414
  H        -0.2438956396       -0.4755329729        0.2212527517
  H        -0.3734542832        0.6020453225       -1.0743209628
  H        -0.3768041653       -0.8813594960       -1.3934127959
       4
 i =     503, E =      -17.5471033748
  O        -0.6127347140       -0.2552698644       -0.7085866033
  H        -0.2443472835       -0.4767812493        0.2076606374
  H        -0.3776704813        0.5966991508       -1.0710565581
  H        -0.3740023943       -0.8851203574       -1.3924175630
       4
 i =     504, E =      -17.5481017720
  O        -0.6126982046       -0.2563636733       -0.7106335474
  H        -0.2427601666       -0.4775582048        0.1940746644
  H        -0.3803392249        0.6014014369       -1.0697464794
  H        -0.3743471516       -0.8944805337       -1.3947860643
       4
 i =     505, E =      -17.5492702764
  O        -0.6131037370       -0.2580746477       -0.7125991707
  H        -0.2403240928       -0.4747592363        0.1795064171
  H        -0.3838176298        0.6092524000       -1.0634068625
  H        -0.3720759643       -0.9039104565       -1.3977153158
       4
 i =     506, E =      -17.5502919185
  O        -0.6139848588       -0.2596447043       -0.7148381365
  H        -0.2384168303       -0.4720534197        0.1667268417
  H        -0.3862247198        0.6210360796       -1.0562406646
  H        -0.3703866202       -0.9162014281       -1.4057050018
       4
 i =     507, E =      -17.5509553281
  O        -0.6151036647       -0.2617437758       -0.7175645780
  H        -0.2333894575       -0.4711082656        0.1558757860
  H        -0.3883311524        0.6397717210       -1.0498915176
  H        -0.3692466695       -0.9294503801       -1.4121430381
       4
 i =     508, E =      -17.5508817160
  O        -0.6163353458       -0.2634760624       -0.7202143799
  H        -0.2267250112       -0.4679749469        0.1451967335
  H        -0.3924115056        0.6610980632       -1.0432449452
  H        -0.3694649319       -0.9386821588       -1.4237516997
       4
 i =     509, E =      -17.5501653583
  O        -0.6172805570       -0.2650682590       -0.7233514145
  H        -0.2189985830       -0.4644812108        0.1381028532
  H        -0.4016204667        0.6834927881       -1.0351933775
  H        -0.3708075005       -0.9501049404       -1.4343988304
       4
 i =     510, E =      -17.5491723513
  O        -0.6172731206       -0.2670750965       -0.7265394419
  H        -0.2185244623       -0.4584413085        0.1305536157
  H        -0.4111789382        0.7011736072       -1.0248880661
  H        -0.3739657892       -0.9603381049       -1.4376608471
       4
 i =     511, E =      -17.5484492514
  O        -0.6176083212       -0.2686447529       -0.7299104859
  H        -0.2176625423       -0.4557387080        0.1261215175
  H        -0.4206866903        0.7171624506       -1.0161653566
  H        -0.3790206585       -0.9657992021       -1.4363790101
       4
 i =     512, E =      -17.5482986731
  O        -0.6172987287       -0.2700471034       -0.7342593210
  H        -0.2125791944       -0.4555923495        0.1245765427
  H        -0.4301202135        0.7250305280       -1.0112157352
  H        -0.3855287986       -0.9699685698       -1.4336610702
       4
 i =     513, E =      -17.5485974816
  O        -0.6172321715       -0.2721583915       -0.7379555995
  H        -0.2070989614       -0.4604124829        0.1202159653
  H        -0.4414481893        0.7259514748       -1.0092811264
  H        -0.3926370883       -0.9675887363       -1.4305511829
       4
 i =     514, E =      -17.5491923734
  O        -0.6176920278       -0.2747313709       -0.7411101975
  H        -0.2019586047       -0.4629506179        0.1158190483
  H        -0.4554352069        0.7215282860       -1.0035624323
  H        -0.3992956127       -0.9633367220       -1.4250170230
       4
 i =     515, E =      -17.5500999284
  O        -0.6180807019       -0.2761225407       -0.7434499931
  H        -0.1977092236       -0.4661233755        0.1145742572
  H        -0.4695801594        0.7103682395       -0.9968793047
  H        -0.4080133658       -0.9567512120       -1.4192561827
       4
 i =     516, E =      -17.5509888352
  O        -0.6188326192       -0.2778602524       -0.7463165247
  H        -0.1960863670       -0.4743816228        0.1150062243
  H        -0.4879763708        0.6928446250       -0.9908104208
  H        -0.4100433287       -0.9530114762       -1.4154293129
       4
 i =     517, E =      -17.5513420829
  O        -0.6199169217       -0.2791296768       -0.7491097913
  H        -0.1956486916       -0.4820993558        0.1165819969
  H        -0.5069812886        0.6721999822       -0.9867219494
  H        -0.4124999939       -0.9496566671       -1.4148652797
       4
 i =     518, E =      -17.5512858123
  O        -0.6217392767       -0.2808257830       -0.7513295027
  H        -0.1977166851       -0.4882947563        0.1185453900
  H        -0.5243266804        0.6586451617       -0.9831675314
  H        -0.4163115629       -0.9458312589       -1.4184243103
       4
 i =     519, E =      -17.5510465326
  O        -0.6237542162       -0.2825294052       -0.7531616710
  H        -0.1985877633       -0.4951120493        0.1208252684
  H        -0.5395700896        0.6524429904       -0.9787683879
  H        -0.4190499854       -0.9401497619       -1.4221681573
       4
 i =     520, E =      -17.5506589724
  O        -0.6257870542       -0.2834818945       -0.7555411667
  H        -0.1930782584       -0.5006962179        0.1197836836
  H        -0.5554770321        0.6456752922       -0.9746421730
  H        -0.4231570160       -0.9365876050       -1.4269372381
       4
 i =     521, E =      -17.5502806116
  O        -0.6283337643       -0.2843886848       -0.7573499415
  H        -0.1839163001       -0.5059708287        0.1173543505
  H        -0.5715934820        0.6388287563       -0.9737640522
  H        -0.4240787486       -0.9328988752       -1.4327696421
       4
 i =     522, E =      -17.5498880634
  O        -0.6309817673       -0.2855903798       -0.7590594591
  H        -0.1756693431       -0.5113026155        0.1102402272
  H        -0.5882243414        0.6350713453       -0.9699316835
  H        -0.4264695969       -0.9271783047       -1.4372761159
       4
 i =     523, E =      -17.5497783650
  O        -0.6340616861       -0.2870278229       -0.7599632304
  H        -0.1687471825       -0.5185625659        0.0998932730
  H        -0.6058371906        0.6314914584       -0.9655847130
  H        -0.4274039759       -0.9234352001       -1.4452887004
       4
 i =     524, E =      -17.5500185009
  O        -0.6359200767       -0.2897497947       -0.7610777566
  H        -0.1613427991       -0.5210410516        0.0898744769
  H        -0.6233556275        0.6318410888       -0.9580024824
  H        -0.4273146469       -0.9231069474       -1.4558252990
       4
 i =     525, E =      -17.5507265304
  O        -0.6375453974       -0.2924425909       -0.7627766158
  H        -0.1550440615       -0.5254154377        0.0783528713
  H        -0.6391518151        0.6414463331       -0.9487620803
  H        -0.4254308808       -0.9256694170       -1.4688204366
       4
 i =     526, E =      -17.5511384814
  O        -0.6385651890       -0.2948370708       -0.7644328654
  H        -0.1498356505       -0.5271966032        0.0684681930
  H        -0.6539895132        0.6522914461       -0.9390687847
  H        -0.4213064468       -0.9265394371       -1.4828398219
       4
 i =     527, E =      -17.5512581533
  O        -0.6393844763       -0.2972999478       -0.7653197657
  H        -0.1414099020       -0.5270184562        0.0607460480
  H        -0.6675874576        0.6672822735       -0.9310303070
  H        -0.4194112240       -0.9243199107       -1.4996674784
       4
 i =     528, E =      -17.5509655577
  O        -0.6406848462       -0.2994231195       -0.7655151517
  H        -0.1303906528       -0.5301775256        0.0514181851
  H        -0.6774540712        0.6768285957       -0.9279530888
  H        -0.4217513610       -0.9228566742       -1.5183099284
       4
 i =     529, E =      -17.5506359585
  O        -0.6430022349       -0.3014505942       -0.7653352842
  H        -0.1224199782       -0.5280827670        0.0416268753
  H        -0.6849075790        0.6864943025       -0.9286908948
  H        -0.4232935014       -0.9155050360       -1.5360724373
       4
 i =     530, E =      -17.5502023590
  O        -0.6456479137       -0.3035334853       -0.7654011958
  H        -0.1156758902       -0.5257251548        0.0337463362
  H        -0.6889397928        0.6967553565       -0.9298193862
  H        -0.4224507292       -0.9033508496       -1.5506319333
       4
 i =     531, E =      -17.5498740541
  O        -0.6486716151       -0.3049935292       -0.7658741935
  H        -0.1094115104       -0.5252986577        0.0281595103
  H        -0.6908215318        0.7017923590       -0.9294307609
  H        -0.4198251650       -0.8899892040       -1.5635261238
       4
 i =     532, E =      -17.5493950717
  O        -0.6510786292       -0.3066610872       -0.7659994179
  H        -0.1069911731       -0.5219290417        0.0207949334
  H        -0.6925926585        0.7069557160       -0.9311147085
  H        -0.4163010023       -0.8794044909       -1.5760923163
       4
 i =     533, E =      -17.5494964458
  O        -0.6532327576       -0.3081732972       -0.7658812314
  H        -0.1049920475       -0.5183363464        0.0111327976
  H        -0.6901316624        0.7066427504       -0.9329426103
  H        -0.4162083277       -0.8647249470       -1.5830764974
       4
 i =     534, E =      -17.5495924281
  O        -0.6560058892       -0.3099606157       -0.7663961818
  H        -0.1044158947       -0.5145736259        0.0007751024
  H        -0.6916844872        0.7040706629       -0.9324817671
  H        -0.4195474630       -0.8522178406       -1.5884189798
       4
 i =     535, E =      -17.5497536999
  O        -0.6595024984       -0.3106835161       -0.7665764508
  H        -0.1006722880       -0.5144139499       -0.0125013543
  H        -0.6957867388        0.6975080724       -0.9322445560
  H        -0.4238427649       -0.8405003775       -1.5953071269
       4
 i =     536, E =      -17.5502168686
  O        -0.6617694779       -0.3110798836       -0.7678761169
  H        -0.0928971675       -0.5123430847       -0.0226638879
  H        -0.6988459172        0.6866175357       -0.9352571314
  H        -0.4282273603       -0.8242882689       -1.6049100633
       4
 i =     537, E =      -17.5504204446
  O        -0.6620661414       -0.3114831959       -0.7689193653
  H        -0.0869919509       -0.5110925789       -0.0308894720
  H        -0.6973437332        0.6728254473       -0.9379570834
  H        -0.4298566885       -0.8084122434       -1.6167628297
       4
 i =     538, E =      -17.5506682861
  O        -0.6628377934       -0.3119126702       -0.7704576971
  H        -0.0800692863       -0.5128451009       -0.0336417546
  H        -0.6935846770        0.6577424553       -0.9401971583
  H        -0.4326034098       -0.7947578625       -1.6255985644
       4
 i =     539, E =      -17.5506683018
  O        -0.6645922856       -0.3129972002       -0.7708318383
  H        -0.0768951986       -0.5178568238       -0.0372826633
  H        -0.6892729117        0.6440641991       -0.9442618839
  H        -0.4379151807       -0.7777992083       -1.6306697387
       4
 i =     540, E =      -17.5506092688
  O        -0.6655351248       -0.3136156291       -0.7720019339
  H        -0.0724957065       -0.5243408257       -0.0388895236
  H        -0.6850877392        0.6361087146       -0.9412572730
  H        -0.4403134041       -0.7603293880       -1.6347159974
       4
 i =     541, E =      -17.5505956568
  O        -0.6671738840       -0.3154618100       -0.7725750621
  H        -0.0637353099       -0.5325142103       -0.0416504691
  H        -0.6792693524        0.6308639767       -0.9342116034
  H        -0.4426779382       -0.7439773814       -1.6344610358
       4
 i =     542, E =      -17.5503150266
  O        -0.6689144404       -0.3177675296       -0.7735737590
  H        -0.0562023940       -0.5370501791       -0.0445486870
  H        -0.6764539873        0.6292854708       -0.9254577917
  H        -0.4490886928       -0.7222815541       -1.6324496951
       4
 i =     543, E =      -17.5500764540
  O        -0.6703310521       -0.3202228777       -0.7743139686
  H        -0.0480036651       -0.5420042616       -0.0501236490
  H        -0.6760911121        0.6327214687       -0.9202385877
  H        -0.4557347625       -0.7050787637       -1.6308221064
       4
 i =     544, E =      -17.5497332375
  O        -0.6721596990       -0.3221936251       -0.7740554060
  H        -0.0431601645       -0.5509357464       -0.0564407871
  H        -0.6757413316        0.6337072366       -0.9126405740
  H        -0.4600848288       -0.6915853885       -1.6278666945
       4
 i =     545, E =      -17.5496836262
  O        -0.6750082631       -0.3233654132       -0.7744042588
  H        -0.0351543259       -0.5574758970       -0.0605172381
  H        -0.6783298316        0.6345260617       -0.9001002758
  H        -0.4620353357       -0.6843346788       -1.6265009758
       4
 i =     546, E =      -17.5500072248
  O        -0.6782739668       -0.3241056103       -0.7751000312
  H        -0.0212736653       -0.5636465063       -0.0653299616
  H        -0.6822564772        0.6386616069       -0.8853550004
  H        -0.4606745930       -0.6814983988       -1.6280666803
       4
 i =     547, E =      -17.5503192423
  O        -0.6816107952       -0.3245276047       -0.7760724160
  H        -0.0075235005       -0.5754777077       -0.0721483639
  H        -0.6866742268        0.6442344301       -0.8723104592
  H        -0.4584510638       -0.6760512762       -1.6337587975
       4
 i =     548, E =      -17.5507320793
  O        -0.6850880477       -0.3245764609       -0.7764733650
  H         0.0039559245       -0.5862178107       -0.0759832457
  H        -0.6957723389        0.6521130063       -0.8610334778
  H        -0.4562932766       -0.6725684702       -1.6462002284
       4
 i =     549, E =      -17.5507763783
  O        -0.6879030207       -0.3236941744       -0.7763849628
  H         0.0114008800       -0.5955948328       -0.0786942050
  H        -0.7016370410        0.6575315025       -0.8521065259
  H        -0.4550273221       -0.6688900239       -1.6572953368
       4
 i =     550, E =      -17.5504791876
  O        -0.6915029873       -0.3227880176       -0.7758587045
  H         0.0194902474       -0.6068992061       -0.0824769912
  H        -0.7081773243        0.6670275196       -0.8422609338
  H        -0.4540427967       -0.6650169643       -1.6714195382
       4
 i =     551, E =      -17.5500226067
  O        -0.6942847125       -0.3226251708       -0.7757657451
  H         0.0256906569       -0.6189392628       -0.0920668273
  H        -0.7127796624        0.6773874180       -0.8385488334
  H        -0.4530275076       -0.6603062480       -1.6838072971
       4
 i =     552, E =      -17.5496499930
  O        -0.6966249693       -0.3217200599       -0.7767361017
  H         0.0274122753       -0.6282974758       -0.1017866045
  H        -0.7215451054        0.6845913618       -0.8351044349
  H        -0.4526026488       -0.6565957149       -1.6960942354
       4
 i =     553, E =      -17.5492740979
  O        -0.7001421920       -0.3205069517       -0.7788657459
  H         0.0289508818       -0.6382942937       -0.1130910140
  H        -0.7309796034        0.6900460940       -0.8272332942
  H        -0.4505245652       -0.6499758919       -1.7051924640
       4
 i =     554, E =      -17.5495132353
  O        -0.7031830789       -0.3193804348       -0.7813611459
  H         0.0234442934       -0.6437381049       -0.1270954771
  H        -0.7397850893        0.6918564491       -0.8189642280
  H        -0.4479978471       -0.6429032566       -1.7138662875
       4
 i =     555, E =      -17.5503208447
  O        -0.7059076349       -0.3181606722       -0.7833620024
  H         0.0156298631       -0.6445617381       -0.1462899077
  H        -0.7528837007        0.6896878311       -0.8062932764
  H        -0.4450973246       -0.6344571275       -1.7180612258
       4
 i =     556, E =      -17.5509437387
  O        -0.7086481121       -0.3169562784       -0.7845877889
  H         0.0082124955       -0.6452978472       -0.1642325667
  H        -0.7709892499        0.6829539208       -0.7939578889
  H        -0.4414334566       -0.6291691731       -1.7179545713
       4
 i =     557, E =      -17.5512965130
  O        -0.7115779671       -0.3157798521       -0.7860368370
  H         0.0017360101       -0.6467299163       -0.1794783987
  H        -0.7880613882        0.6775604736       -0.7813799786
  H        -0.4412241622       -0.6227563355       -1.7171317016
       4
 i =     558, E =      -17.5515133654
  O        -0.7147488364       -0.3139407331       -0.7874643364
  H        -0.0029838525       -0.6479971131       -0.1957243893
  H        -0.8042198493        0.6718048406       -0.7688131635
  H        -0.4415175194       -0.6169059420       -1.7126467231
       4
 i =     559, E =      -17.5515769170
  O        -0.7178316386       -0.3129156307       -0.7886374280
  H        -0.0045113507       -0.6473430889       -0.2115302949
  H        -0.8188800870        0.6656743991       -0.7581193507
  H        -0.4430162724       -0.6052006963       -1.7047043878
       4
 i =     560, E =      -17.5513719901
  O        -0.7210843005       -0.3119047781       -0.7891851435
  H        -0.0050685673       -0.6465671903       -0.2274569157
  H        -0.8323176623        0.6604256277       -0.7449302139
  H        -0.4479199208       -0.5952159011       -1.6988904343
       4
 i =     561, E =      -17.5511303706
  O        -0.7238893339       -0.3107512420       -0.7910927305
  H        -0.0059132748       -0.6442768457       -0.2379879810
  H        -0.8482521201        0.6513411579       -0.7311974549
  H        -0.4508253835       -0.5836762101       -1.6960800953
       4
 i =     562, E =      -17.5508112392
  O        -0.7268344965       -0.3102306892       -0.7925030780
  H        -0.0091666694       -0.6416034225       -0.2475789202
  H        -0.8621743597        0.6457881790       -0.7140929237
  H        -0.4538592091       -0.5654121753       -1.6922586959
       4
 i =     563, E =      -17.5504915132
  O        -0.7296719695       -0.3094578355       -0.7934485493
  H        -0.0122646215       -0.6389929100       -0.2556005584
  H        -0.8780554700        0.6407380348       -0.6976916058
  H        -0.4610146720       -0.5497313787       -1.6904475671
       4
 i =     564, E =      -17.5498654370
  O        -0.7326386006       -0.3086402142       -0.7941772289
  H        -0.0187300674       -0.6369928639       -0.2635491895
  H        -0.8930582747        0.6339136694       -0.6820222533
  H        -0.4647623456       -0.5362735689       -1.6901855666
       4
 i =     565, E =      -17.5497811692
  O        -0.7355448561       -0.3076815884       -0.7949667983
  H        -0.0211804000       -0.6392160516       -0.2678973429
  H        -0.9075763335        0.6286375655       -0.6674568403
  H        -0.4712656168       -0.5229859945       -1.6933909977
       4
 i =     566, E =      -17.5503107333
  O        -0.7383877730       -0.3074912457       -0.7954217308
  H        -0.0199167165       -0.6384857449       -0.2681223684
  H        -0.9247601337        0.6300313561       -0.6536567386
  H        -0.4778351857       -0.5089799041       -1.6992807532
       4
 i =     567, E =      -17.5509699723
  O        -0.7406292474       -0.3068617098       -0.7956104642
  H        -0.0171141218       -0.6400164719       -0.2657607785
  H        -0.9431455117        0.6322246301       -0.6412454637
  H        -0.4883088523       -0.4954268091       -1.7066099888
       4
 i =     568, E =      -17.5518113160
  O        -0.7439314709       -0.3071822631       -0.7957293230
  H        -0.0144597910       -0.6376785146       -0.2564105963
  H        -0.9570026667        0.6392163513       -0.6268098755
  H        -0.4994599043       -0.4830398876       -1.7152764177
       4
 i =     569, E =      -17.5524453886
  O        -0.7471016085       -0.3075950087       -0.7961622710
  H        -0.0056611439       -0.6370513013       -0.2429489356
  H        -0.9687372962        0.6446722880       -0.6094912136
  H        -0.5110359960       -0.4757381467       -1.7281098586
       4
 i =     570, E =      -17.5523535232
  O        -0.7503976400       -0.3076300536       -0.7967405876
  H         0.0040250806       -0.6313365736       -0.2324878301
  H        -0.9807768773        0.6485351425       -0.5972114005
  H        -0.5227599215       -0.4691703514       -1.7408185234
       4
 i =     571, E =      -17.5517911915
  O        -0.7534390527       -0.3069415635       -0.7978876962
  H         0.0134216312       -0.6271187212       -0.2186302148
  H        -0.9970115303        0.6471183877       -0.5870932150
  H        -0.5341935920       -0.4684537319       -1.7502585080
       4
 i =     572, E =      -17.5509028440
  O        -0.7560108572       -0.3068864369       -0.7987858153
  H         0.0174618671       -0.6244744255       -0.2083242680
  H        -1.0125364931        0.6468193765       -0.5749746079
  H        -0.5435746738       -0.4684517654       -1.7600147517
       4
 i =     573, E =      -17.5501237973
  O        -0.7595105710       -0.3063463545       -0.7999219353
  H         0.0213765911       -0.6208278877       -0.2021386979
  H        -1.0276038389        0.6400365107       -0.5637821108
  H        -0.5516093641       -0.4649647616       -1.7679485128
       4
 i =     574, E =      -17.5496872928
  O        -0.7621617432       -0.3051126967       -0.8005108216
  H         0.0222662403       -0.6160220707       -0.1961878502
  H        -1.0423871532        0.6327115805       -0.5536623367
  H        -0.5638272529       -0.4550001864       -1.7722843212
       4
 i =     575, E =      -17.5492866990
  O        -0.7649608967       -0.3053866153       -0.8007200549
  H         0.0254693125       -0.6130492308       -0.1985549726
  H        -1.0596118882        0.6273589521       -0.5435795842
  H        -0.5796082043       -0.4474703141       -1.7797726698
       4
 i =     576, E =      -17.5497669432
  O        -0.7672186174       -0.3055074673       -0.8024911067
  H         0.0180734050       -0.6040402793       -0.2028595086
  H        -1.0748746009        0.6173788305       -0.5371156603
  H        -0.5952248045       -0.4423935523       -1.7853852711
       4
 i =     577, E =      -17.5502565868
  O        -0.7702156857       -0.3054189927       -0.8041862495
  H         0.0086749579       -0.5929387455       -0.2040817512
  H        -1.0885703439        0.6082467410       -0.5320710755
  H        -0.6126853072       -0.4354050103       -1.7861732371
       4
 i =     578, E =      -17.5509195438
  O        -0.7720046572       -0.3059363645       -0.8059547317
  H        -0.0035669989       -0.5853213793       -0.2069677911
  H        -1.0996465012        0.5985294964       -0.5319748548
  H        -0.6310343674       -0.4335674800       -1.7838824069
       4
 i =     579, E =      -17.5513768053
  O        -0.7741283992       -0.3070258016       -0.8078081047
  H        -0.0213657828       -0.5749572165       -0.2130989045
  H        -1.1092573444        0.5895444848       -0.5322645152
  H        -0.6495296719       -0.4302878517       -1.7808250603
       4
 i =     580, E =      -17.5512862025
  O        -0.7749186890       -0.3081163642       -0.8098692790
  H        -0.0420972875       -0.5648000314       -0.2216249650
  H        -1.1219824878        0.5782573362       -0.5358299644
  H        -0.6667166017       -0.4228309927       -1.7735552156
       4
 i =     581, E =      -17.5501387415
  O        -0.7756194702       -0.3099445197       -0.8116809706
  H        -0.0638145540       -0.5540946924       -0.2285371144
  H        -1.1354544567        0.5708217651       -0.5396143132
  H        -0.6820946595       -0.4160098001       -1.7707351179
       4
 i =     582, E =      -17.5489906044
  O        -0.7765182638       -0.3111083976       -0.8133676149
  H        -0.0815091125       -0.5496176839       -0.2280194677
  H        -1.1501678500        0.5635428479       -0.5417592021
  H        -0.6938740501       -0.4089277203       -1.7720914618
       4
 i =     583, E =      -17.5484225363
  O        -0.7778626429       -0.3117269730       -0.8144994087
  H        -0.0916496766       -0.5501620339       -0.2293728793
  H        -1.1647317021        0.5561171961       -0.5413419259
  H        -0.7056046565       -0.4054017718       -1.7776060255
       4
 i =     584, E =      -17.5479970347
  O        -0.7799037886       -0.3114627327       -0.8149532374
  H        -0.1021515219       -0.5561175152       -0.2314100108
  H        -1.1786565415        0.5487133868       -0.5383320646
  H        -0.7150437180       -0.4039370693       -1.7850841789
       4
 i =     585, E =      -17.5484558708
  O        -0.7826477819       -0.3104806878       -0.8156051860
  H        -0.1067275158       -0.5636474903       -0.2266458614
  H        -1.1907422952        0.5397896733       -0.5373568536
  H        -0.7224971964       -0.4023448760       -1.7902514294
       4
 i =     586, E =      -17.5492280180
  O        -0.7858932145       -0.3092744469       -0.8169537577
  H        -0.1043912334       -0.5700288172       -0.2224547078
  H        -1.2047319198        0.5329100332       -0.5390546044
  H        -0.7271300063       -0.4036328434       -1.7982021820
       4
 i =     587, E =      -17.5501171748
  O        -0.7900033612       -0.3079227190       -0.8196279680
  H        -0.0996455729       -0.5815099613       -0.2147918103
  H        -1.2178777585        0.5289143528       -0.5436125663
  H        -0.7304468189       -0.4061495742       -1.8034244153
       4
 i =     588, E =      -17.5503650987
  O        -0.7945607585       -0.3069283110       -0.8219062221
  H        -0.0932101876       -0.5895313760       -0.2079132986
  H        -1.2312631352        0.5223043710       -0.5500253297
  H        -0.7305866645       -0.4044124763       -1.8076674424
       4
 i =     589, E =      -17.5502370135
  O        -0.7989226110       -0.3061253134       -0.8252233021
  H        -0.0848792142       -0.5954509893       -0.2023718616
  H        -1.2432583529        0.5179281194       -0.5535077578
  H        -0.7330127210       -0.4033759307       -1.8083156867
       4
 i =     590, E =      -17.5497482662
  O        -0.8032463740       -0.3063801393       -0.8291142940
  H        -0.0751002619       -0.6004006166       -0.1987791862
  H        -1.2548690944        0.5147447141       -0.5557694416
  H        -0.7379625931       -0.4044883995       -1.8044297674
       4
 i =     591, E =      -17.5487219122
  O        -0.8078677356       -0.3064911392       -0.8321445680
  H        -0.0621040015       -0.6077779827       -0.1971143552
  H        -1.2651298384        0.5163287090       -0.5577529022
  H        -0.7465741963       -0.4050662387       -1.8003492320
       4
 i =     592, E =      -17.5474499462
  O        -0.8123321665       -0.3078419558       -0.8347557888
  H        -0.0536322186       -0.6138789903       -0.1940533459
  H        -1.2752828809        0.5199517739       -0.5625576225
  H        -0.7536476150       -0.4073003729       -1.7997780192
       4
 i =     593, E =      -17.5464619000
  O        -0.8167966891       -0.3095224342       -0.8366856782
  H        -0.0486484911       -0.6194959333       -0.1966121992
  H        -1.2873897516        0.5215177921       -0.5672815229
  H        -0.7585169089       -0.4077843752       -1.7963052325
       4
 i =     594, E =      -17.5455782085
  O        -0.8212305677       -0.3105235489       -0.8380577435
  H        -0.0443363177       -0.6223656439       -0.1997851643
  H        -1.3000548100        0.5226001609       -0.5766722351
  H        -0.7621467581       -0.4068145415       -1.7966379756
       4
 i =     595, E =      -17.5456636750
  O        -0.8252342745       -0.3112267731       -0.8382440300
  H        -0.0464142676       -0.6271103906       -0.2095127702
  H        -1.3071913457        0.5174228400       -0.5878299871
  H        -0.7611814175       -0.4049767334       -1.7986508581
       4
 i =     596, E =      -17.5461811763
  O        -0.8290094716       -0.3125876201       -0.8377536524
  H        -0.0485594203       -0.6293082729       -0.2249313180
  H        -1.3173985900        0.5104545728       -0.5993280119
  H        -0.7582630911       -0.4042817893       -1.8046174590
       4
 i =     597, E =      -17.5466403209
  O        -0.8326232297       -0.3128486862       -0.8360588145
  H        -0.0538330652       -0.6320577813       -0.2435659976
  H        -1.3270528551        0.5036497686       -0.6086489977
  H        -0.7569417319       -0.4032857135       -1.8113164833
       4
 i =     598, E =      -17.5470963025
  O        -0.8365336926       -0.3133955692       -0.8344303681
  H        -0.0604541730       -0.6336569509       -0.2632752035
  H        -1.3382243659        0.5029694637       -0.6118543014
  H        -0.7586249236       -0.4038104193       -1.8186549435
       4
 i =     599, E =      -17.5474297096
  O        -0.8406677602       -0.3139779400       -0.8333699483
  H        -0.0691096090       -0.6324615957       -0.2858571673
  H        -1.3520723660        0.5045802580       -0.6129481429
  H        -0.7582326582       -0.4061462305       -1.8276048366
       4
 i =     600, E =      -17.5474128450
  O        -0.8449653114       -0.3137763734       -0.8326507580
  H        -0.0806534383       -0.6332785159       -0.3103870100
  H        -1.3630617840        0.5081144347       -0.6125010149
  H        -0.7549646235       -0.4084210150       -1.8309425240
       4
 i =     601, E =      -17.5469492557
  O        -0.8493183358       -0.3149771077       -0.8330505257
  H        -0.0871904285       -0.6326230798       -0.3344656090
  H        -1.3728180714        0.5129625560       -0.6057044415
  H        -0.7519392692       -0.4099112402       -1.8337187997
       4
 i =     602, E =      -17.5463489206
  O        -0.8539755948       -0.3161565683       -0.8337357005
  H        -0.0913222752       -0.6327094620       -0.3540661013
  H        -1.3823802053        0.5137801568       -0.5964016270
  H        -0.7438242494       -0.4116458922       -1.8358708330
       4
 i =     603, E =      -17.5459315863
  O        -0.8590412591       -0.3178035830       -0.8344127750
  H        -0.0927306101       -0.6365776899       -0.3685607618
  H        -1.3893837500        0.5148174615       -0.5880274447
  H        -0.7331659408       -0.4123255017       -1.8357235364
       4
 i =     604, E =      -17.5462130801
  O        -0.8653243998       -0.3191649944       -0.8359171072
  H        -0.0903673542       -0.6409728840       -0.3761115972
  H        -1.3946192230        0.5127318958       -0.5807667133
  H        -0.7278604686       -0.4097045770       -1.8346666260
       4
 i =     605, E =      -17.5469822328
  O        -0.8728029885       -0.3208949131       -0.8375659763
  H        -0.0863136805       -0.6431856043       -0.3826689280
  H        -1.3985471383        0.5090019868       -0.5752954366
  H        -0.7229062199       -0.4058915226       -1.8244467456
       4
 i =     606, E =      -17.5477510747
  O        -0.8797614210       -0.3221358965       -0.8388306428
  H        -0.0825430910       -0.6383959683       -0.3870994697
  H        -1.4003922262        0.5023930798       -0.5695579061
  H        -0.7185043421       -0.4000451746       -1.8157208410
       4
 i =     607, E =      -17.5484629434
  O        -0.8847944599       -0.3229871860       -0.8398523477
  H        -0.0800894628       -0.6279867399       -0.3890708032
  H        -1.3999009194        0.4935088402       -0.5612645490
  H        -0.7165763140       -0.3948137261       -1.8098581674
       4
 i =     608, E =      -17.5490013529
  O        -0.8907663117       -0.3238237290       -0.8417015211
  H        -0.0781891006       -0.6176673734       -0.3892119791
  H        -1.4011758456        0.4834865814       -0.5534302730
  H        -0.7149709741       -0.3927257817       -1.8020433742
       4
 i =     609, E =      -17.5493349093
  O        -0.8959430434       -0.3248408372       -0.8429659390
  H        -0.0758179659       -0.6063768199       -0.3888724524
  H        -1.3985999658        0.4735606932       -0.5435479067
  H        -0.7132923751       -0.3893818192       -1.7939431369
       4
 i =     610, E =      -17.5492503548
  O        -0.9003673600       -0.3247209052       -0.8442347205
  H        -0.0680132731       -0.5975310262       -0.3889204903
  H        -1.3941219440        0.4620540571       -0.5289448164
  H        -0.7123086976       -0.3862919248       -1.7862244249
       4
 i =     611, E =      -17.5488710782
  O        -0.9046445167       -0.3233484593       -0.8456952678
  H        -0.0618713144       -0.5888072576       -0.3837996832
  H        -1.3910866855        0.4519545298       -0.5185876813
  H        -0.7152240203       -0.3841765542       -1.7815182073
       4
 i =     612, E =      -17.5485238346
  O        -0.9077903371       -0.3227956943       -0.8465342993
  H        -0.0521442078       -0.5824836354       -0.3764832600
  H        -1.3888819795        0.4466199627       -0.5102439233
  H        -0.7196632981       -0.3836206326       -1.7846555014
       4
 i =     613, E =      -17.5482116833
  O        -0.9107264697       -0.3226435134       -0.8473251586
  H        -0.0463518205       -0.5764657814       -0.3671335192
  H        -1.3859346813        0.4445325493       -0.5029105302
  H        -0.7219790353       -0.3806363353       -1.7893992535
       4
 i =     614, E =      -17.5480689696
  O        -0.9128594029       -0.3230119160       -0.8480463196
  H        -0.0398411039       -0.5684529340       -0.3553434235
  H        -1.3830142312        0.4456606897       -0.4965286059
  H        -0.7270240577       -0.3774513805       -1.7984969256
       4
 i =     615, E =      -17.5482695875
  O        -0.9140400299       -0.3251684882       -0.8497141470
  H        -0.0396662963       -0.5606231315       -0.3435073033
  H        -1.3840050941        0.4475970391       -0.4898593834
  H        -0.7337660725       -0.3721438272       -1.8099937620
       4
 i =     616, E =      -17.5483983178
  O        -0.9159309380       -0.3283601584       -0.8504557447
  H        -0.0422196048       -0.5509898409       -0.3310851579
  H        -1.3854393423        0.4502540853       -0.4823949466
  H        -0.7383488762       -0.3680286065       -1.8211852174
       4
 i =     617, E =      -17.5480413125
  O        -0.9177414821       -0.3319486427       -0.8512770875
  H        -0.0438591408       -0.5407808337       -0.3142726884
  H        -1.3883729196        0.4504330594       -0.4759904706
  H        -0.7447902046       -0.3613041222       -1.8319654978
       4
 i =     618, E =      -17.5479638305
  O        -0.9194627607       -0.3355272312       -0.8514364942
  H        -0.0530487523       -0.5281353601       -0.2996451868
  H        -1.3891529863        0.4515239012       -0.4707799897
  H        -0.7530336218       -0.3534214889       -1.8410165160
       4
 i =     619, E =      -17.5481592669
  O        -0.9213719798       -0.3388568738       -0.8511728764
  H        -0.0667300623       -0.5139191462       -0.2883665894
  H        -1.3917833937        0.4517907864       -0.4664369208
  H        -0.7599061831       -0.3473098083       -1.8481936945
       4
 i =     620, E =      -17.5486646502
  O        -0.9224937342       -0.3420084690       -0.8511487237
  H        -0.0838380743       -0.5003610792       -0.2813834011
  H        -1.3911243071        0.4511799966       -0.4593057867
  H        -0.7648665016       -0.3386547218       -1.8476106714
       4
 i =     621, E =      -17.5490422778
  O        -0.9239668214       -0.3454473763       -0.8518707223
  H        -0.1062648455       -0.4846025672       -0.2755166651
  H        -1.3887617498        0.4538695042       -0.4530977184
  H        -0.7680746943       -0.3322534276       -1.8437637938
       4
 i =     622, E =      -17.5488915044
  O        -0.9239243458       -0.3485859938       -0.8523037303
  H        -0.1258085963       -0.4738146255       -0.2686824375
  H        -1.3858271039        0.4573118914       -0.4479238589
  H        -0.7692239139       -0.3226083812       -1.8355159490
       4
 i =     623, E =      -17.5484733363
  O        -0.9225543224       -0.3512820711       -0.8534012040
  H        -0.1439232250       -0.4657192949       -0.2627722878
  H        -1.3843723042        0.4603216603       -0.4468167234
  H        -0.7712683856       -0.3146802554       -1.8233099477
       4
 i =     624, E =      -17.5475857433
  O        -0.9210755905       -0.3526045474       -0.8536872286
  H        -0.1610015249       -0.4604915267       -0.2594775249
  H        -1.3783639241        0.4632220565       -0.4470046191
  H        -0.7728494533       -0.3084572216       -1.8124371459
       4
 i =     625, E =      -17.5463109597
  O        -0.9194114271       -0.3536614511       -0.8537001351
  H        -0.1758687051       -0.4557834110       -0.2537934086
  H        -1.3737505566        0.4629200472       -0.4466977716
  H        -0.7727218765       -0.3015182671       -1.7994739776
       4
 i =     626, E =      -17.5450171676
  O        -0.9173044674       -0.3546959294       -0.8534080645
  H        -0.1868891913       -0.4544191418       -0.2509736985
  H        -1.3724821945        0.4660462793       -0.4486220990
  H        -0.7738896023       -0.3001575080       -1.7891154860
       4
 i =     627, E =      -17.5443598174
  O        -0.9156038704       -0.3552724933       -0.8527322986
  H        -0.1910296832       -0.4568693631       -0.2454876124
  H        -1.3669264645        0.4680001033       -0.4538052281
  H        -0.7737379881       -0.3029703171       -1.7802246043
       4
 i =     628, E =      -17.5442532014
  O        -0.9147515979       -0.3567722126       -0.8519085196
  H        -0.1931222495       -0.4603708213       -0.2402286309
  H        -1.3671915816        0.4688653319       -0.4614656508
  H        -0.7737525434       -0.3058546223       -1.7755247010
       4
 i =     629, E =      -17.5453344301
  O        -0.9159414549       -0.3578955058       -0.8514921471
  H        -0.1908091949       -0.4695949673       -0.2354732225
  H        -1.3680780831        0.4677793093       -0.4736757428
  H        -0.7740386285       -0.3036254357       -1.7758674136
       4
 i =     630, E =      -17.5466918736
  O        -0.9171688030       -0.3588404446       -0.8498463803
  H        -0.1891809812       -0.4783978884       -0.2275618780
  H        -1.3677744193        0.4666632208       -0.4849041536
  H        -0.7734508802       -0.3029356302       -1.7812423744
       4
 i =     631, E =      -17.5482589380
  O        -0.9183184186       -0.3588680721       -0.8479512108
  H        -0.1865456495       -0.4858957048       -0.2241266167
  H        -1.3731428581        0.4644719690       -0.4962128452
  H        -0.7691322754       -0.3029083608       -1.7904577715
       4
 i =     632, E =      -17.5498242908
  O        -0.9202143252       -0.3593270884       -0.8451019279
  H        -0.1805674021       -0.4985692371       -0.2228827368
  H        -1.3805788686        0.4621173490       -0.5050232619
  H        -0.7662139353       -0.3024954582       -1.8036843559
       4
 i =     633, E =      -17.5507569862
  O        -0.9234939075       -0.3597162704       -0.8418767265
  H        -0.1757083770       -0.5111767774       -0.2216967552
  H        -1.3892741312        0.4603147783       -0.5171138635
  H        -0.7639769300       -0.2999648022       -1.8185501214
       4
 i =     634, E =      -17.5509405713
  O        -0.9264158244       -0.3600978338       -0.8386538394
  H        -0.1735018585       -0.5207342440       -0.2237019119
  H        -1.3966101158        0.4569434066       -0.5259895380
  H        -0.7583786910       -0.2989994885       -1.8312018073
       4
 i =     635, E =      -17.5510246896
  O        -0.9292810765       -0.3616238095       -0.8361350958
  H        -0.1685478262       -0.5322552492       -0.2258189999
  H        -1.4035378946        0.4518991083       -0.5337865164
  H        -0.7513673304       -0.3029771713       -1.8379271870
       4
 i =     636, E =      -17.5509534140
  O        -0.9328516341       -0.3619880501       -0.8331187133
  H        -0.1639737285       -0.5436882813       -0.2297142032
  H        -1.4083876923        0.4465263656       -0.5450836307
  H        -0.7438755639       -0.3067103396       -1.8411466815
       4
 i =     637, E =      -17.5507185582
  O        -0.9355377307       -0.3627662456       -0.8304502230
  H        -0.1572509821       -0.5523625243       -0.2413907016
  H        -1.4124590032        0.4393470215       -0.5493791966
  H        -0.7330484821       -0.3118623247       -1.8440744812
       4
 i =     638, E =      -17.5502475788
  O        -0.9385390480       -0.3632366202       -0.8284400905
  H        -0.1528780735       -0.5596945477       -0.2513482383
  H        -1.4191957010        0.4285963679       -0.5558851896
  H        -0.7246664501       -0.3140318978       -1.8441231449
       4
 i =     639, E =      -17.5500428631
  O        -0.9406029541       -0.3628869508       -0.8265536685
  H        -0.1523095850       -0.5647662088       -0.2624022684
  H        -1.4289322091        0.4226367086       -0.5620908996
  H        -0.7191586356       -0.3154426991       -1.8405988964
       4
 i =     640, E =      -17.5499400991
  O        -0.9420811384       -0.3630510292       -0.8245342505
  H        -0.1556549792       -0.5701697055       -0.2721031168
  H        -1.4341112559        0.4219040919       -0.5694747074
  H        -0.7164481562       -0.3144523393       -1.8343046972
       4
 i =     641, E =      -17.5503448312
  O        -0.9441196749       -0.3638587996       -0.8234505690
  H        -0.1575492627       -0.5727566417       -0.2806341682
  H        -1.4415035966        0.4237797036       -0.5728226504
  H        -0.7138725422       -0.3100661382       -1.8227433063
       4
 i =     642, E =      -17.5507922002
  O        -0.9460448716       -0.3654877842       -0.8226383598
  H        -0.1593695973       -0.5757682183       -0.2856877222
  H        -1.4517861338        0.4280412611       -0.5776128774
  H        -0.7120215854       -0.3074752976       -1.8083968810
       4
 i =     643, E =      -17.5508403356
  O        -0.9485138423       -0.3671043861       -0.8215904405
  H        -0.1572157365       -0.5796292148       -0.2876145667
  H        -1.4630587962        0.4303781368       -0.5864732554
  H        -0.7107016136       -0.3028520209       -1.7923743107
       4
 i =     644, E =      -17.5505597599
  O        -0.9511885003       -0.3685459629       -0.8197600688
  H        -0.1568775929       -0.5832972518       -0.2883259760
  H        -1.4737096527        0.4334809516       -0.5939675146
  H        -0.7126521633       -0.2993600010       -1.7764951111
       4
 i =     645, E =      -17.5500886695
  O        -0.9544201146       -0.3692521274       -0.8174217249
  H        -0.1548254844       -0.5883077469       -0.2894931337
  H        -1.4860175734        0.4355146969       -0.5964099856
  H        -0.7147968069       -0.2978024552       -1.7643603142
       4
 i =     646, E =      -17.5494969460
  O        -0.9580223750       -0.3703689746       -0.8158386138
  H        -0.1508007496       -0.5918562212       -0.2908166612
  H        -1.4969749363        0.4373163849       -0.5953254593
  H        -0.7172600074       -0.2961263658       -1.7527549003
       4
 i =     647, E =      -17.5488811795
  O        -0.9620167839       -0.3715937665       -0.8144798228
  H        -0.1474524906       -0.5961093287       -0.2875607498
  H        -1.5085886768        0.4381940376       -0.5913910436
  H        -0.7193941953       -0.2973973986       -1.7434450186
       4
 i =     648, E =      -17.5485768183
  O        -0.9669720351       -0.3733747942       -0.8138242400
  H        -0.1448478953       -0.6000232164       -0.2876375043
  H        -1.5164009783        0.4385724604       -0.5868724313
  H        -0.7173356670       -0.2992781077       -1.7414699402
       4
 i =     649, E =      -17.5487103610
  O        -0.9713684151       -0.3756929511       -0.8131338295
  H        -0.1481872562       -0.6019766607       -0.2896421454
  H        -1.5184834546        0.4363895738       -0.5808558986
  H        -0.7129171046       -0.2991747817       -1.7409418472
       4
 i =     650, E =      -17.5489389276
  O        -0.9759101457       -0.3773639701       -0.8120373455
  H        -0.1514775530       -0.6021674866       -0.2928880792
  H        -1.5217131996        0.4335969097       -0.5748709295
  H        -0.7094946792       -0.2980398577       -1.7423300560
       4
 i =     651, E =      -17.5493587759
  O        -0.9804729300       -0.3782186540       -0.8104372421
  H        -0.1596899086       -0.6034935685       -0.2972739545
  H        -1.5264976425        0.4269480826       -0.5675026540
  H        -0.7036816798       -0.2956852051       -1.7479844170
       4
 i =     652, E =      -17.5495968733
  O        -0.9840753970       -0.3788985305       -0.8085465624
  H        -0.1654393497       -0.6041207274       -0.2993818079
  H        -1.5280989481        0.4212720451       -0.5571662015
  H        -0.6941197005       -0.2924474640       -1.7582327587
       4
 i =     653, E =      -17.5494431765
  O        -0.9881128900       -0.3800758207       -0.8075954601
  H        -0.1728622138       -0.6034152728       -0.3026578439
  H        -1.5318736658        0.4148887175       -0.5516160856
  H        -0.6854122182       -0.2929507403       -1.7667863317
       4
 i =     654, E =      -17.5492924667
  O        -0.9927419338       -0.3808413628       -0.8073537612
  H        -0.1814919750       -0.6045050828       -0.3017282193
  H        -1.5380629982        0.4074667113       -0.5437754220
  H        -0.6795363648       -0.2936065471       -1.7738798668
       4
 i =     655, E =      -17.5495222295
  O        -0.9962899059       -0.3810272414       -0.8074762385
  H        -0.1901451513       -0.6040872910       -0.3018783888
  H        -1.5423290385        0.3975140052       -0.5331653739
  H        -0.6795903819       -0.2922280080       -1.7722807401
       4
 i =     656, E =      -17.5498170170
  O        -1.0000576513       -0.3808923007       -0.8076376490
  H        -0.1973001002       -0.6045828608       -0.2997605372
  H        -1.5466553268        0.3912806688       -0.5230477580
  H        -0.6795070707       -0.2909781462       -1.7690314069
       4
 i =     657, E =      -17.5503344746
  O        -1.0036840549       -0.3807792615       -0.8079986403
  H        -0.2023577962       -0.6060529701       -0.2966781853
  H        -1.5476620174        0.3906864944       -0.5131322852
  H        -0.6892644189       -0.2883507630       -1.7674761250
       4
 i =     658, E =      -17.5509315207
  O        -1.0072783298       -0.3805388742       -0.8100730125
  H        -0.2067653858       -0.6069054609       -0.2942056942
  H        -1.5497660162        0.3898268021       -0.5000172550
  H        -0.6972731414       -0.2835456589       -1.7639325146
       4
 i =     659, E =      -17.5513872703
  O        -1.0108285495       -0.3811667555       -0.8117919451
  H        -0.2096153010       -0.6057688625       -0.2862368436
  H        -1.5527840887        0.3927924357       -0.4886146124
  H        -0.7008235455       -0.2782157558       -1.7595567049
       4
 i =     660, E =      -17.5516496781
  O        -1.0141764151       -0.3829587588       -0.8137942573
  H        -0.2113936177       -0.6035820098       -0.2760853376
  H        -1.5575895659        0.3932179492       -0.4752037574
  H        -0.7082270998       -0.2740138720       -1.7545420754
       4
 i =     661, E =      -17.5515186578
  O        -1.0179681304       -0.3852593341       -0.8149869843
  H        -0.2123074192       -0.6064077781       -0.2637234692
  H        -1.5618603028        0.3935525442       -0.4613378142
  H        -0.7178933586       -0.2710706888       -1.7427899551
       4
 i =     662, E =      -17.5512595868
  O        -1.0223507082       -0.3870030447       -0.8155613076
  H        -0.2129438934       -0.6074857494       -0.2502422085
  H        -1.5638240892        0.3882581323       -0.4501409796
  H        -0.7262034456       -0.2643408153       -1.7339562587
       4
 i =     663, E =      -17.5507246149
  O        -1.0273642769       -0.3884263068       -0.8158132017
  H        -0.2132804318       -0.6095192379       -0.2377774575
  H        -1.5655954909        0.3823455268       -0.4353770247
  H        -0.7362822770       -0.2552108120       -1.7265792430
       4
 i =     664, E =      -17.5503817157
  O        -1.0315924146       -0.3897390588       -0.8158536958
  H        -0.2178800709       -0.6140380997       -0.2264195898
  H        -1.5651973187        0.3731016781       -0.4185136541
  H        -0.7492782679       -0.2431225448       -1.7226769042
       4
 i =     665, E =      -17.5503597685
  O        -1.0356626434       -0.3908322962       -0.8151970096
  H        -0.2269711660       -0.6224800866       -0.2157340440
  H        -1.5663223984        0.3663791881       -0.4057164817
  H        -0.7600941522       -0.2303976663       -1.7233567085
       4
 i =     666, E =      -17.5505155568
  O        -1.0395968176       -0.3921363804       -0.8144253949
  H        -0.2387652060       -0.6275092821       -0.2072079642
  H        -1.5677093746        0.3600338901       -0.3940054857
  H        -0.7686611883       -0.2194251983       -1.7253774909
       4
 i =     667, E =      -17.5508970773
  O        -1.0429330823       -0.3929363106       -0.8136384799
  H        -0.2543026513       -0.6337920988       -0.2031728389
  H        -1.5679742371        0.3540264582       -0.3830233730
  H        -0.7766183891       -0.2121463912       -1.7266029711
       4
 i =     668, E =      -17.5513415593
  O        -1.0462932381       -0.3942390759       -0.8128592504
  H        -0.2722508874       -0.6399622129       -0.2044606981
  H        -1.5708868074        0.3484121284       -0.3685298071
  H        -0.7814662569       -0.2058195769       -1.7320651172
       4
 i =     669, E =      -17.5517136647
  O        -1.0483804076       -0.3965020764       -0.8121007381
  H        -0.2938495678       -0.6472389999       -0.2120664131
  H        -1.5734566204        0.3396128960       -0.3559633743
  H        -0.7836874644       -0.2028444668       -1.7395786407
       4
 i =     670, E =      -17.5514427693
  O        -1.0507619033       -0.3969186654       -0.8117228812
  H        -0.3163007879       -0.6501195667       -0.2174258958
  H        -1.5695614952        0.3312454347       -0.3445367580
  H        -0.7826961437       -0.1984475845       -1.7466299170
       4
 i =     671, E =      -17.5505208956
  O        -1.0535377035       -0.3974226522       -0.8105125369
  H        -0.3396832250       -0.6500494184       -0.2246230406
  H        -1.5602117659        0.3207067485       -0.3373980466
  H        -0.7795339913       -0.1976603783       -1.7505946442
       4
 i =     672, E =      -17.5487060797
  O        -1.0561963323       -0.3980548109       -0.8098815188
  H        -0.3638409935       -0.6520372134       -0.2305811189
  H        -1.5492554203        0.3095631525       -0.3324405055
  H        -0.7741825622       -0.1916813410       -1.7500770247
       4
 i =     673, E =      -17.5470762731
  O        -1.0591188271       -0.3989176987       -0.8088198851
  H        -0.3787914744       -0.6514740329       -0.2298010804
  H        -1.5416514973        0.2975032771       -0.3279909997
  H        -0.7709985215       -0.1857918045       -1.7472424221
       4
 i =     674, E =      -17.5466723773
  O        -1.0628520143       -0.4001765653       -0.8077402907
  H        -0.3812374183       -0.6512411606       -0.2258998522
  H        -1.5338454353        0.2818348247       -0.3261221624
  H        -0.7703727194       -0.1794876577       -1.7389873592
       4
 i =     675, E =      -17.5466205623
  O        -1.0659619403       -0.4018767518       -0.8075299519
  H        -0.3828370374       -0.6565462532       -0.2196458432
  H        -1.5294473996        0.2675956447       -0.3238889815
  H        -0.7687711091       -0.1704549804       -1.7255172868
       4
 i =     676, E =      -17.5470493387
  O        -1.0689801031       -0.4046807749       -0.8076987695
  H        -0.3795957758       -0.6673027680       -0.2070423725
  H        -1.5229899619        0.2575633508       -0.3208806662
  H        -0.7711991962       -0.1641305947       -1.7099262967
       4
 i =     677, E =      -17.5479603804
  O        -1.0728466172       -0.4069569081       -0.8084941765
  H        -0.3726347128       -0.6779050104       -0.1935773279
  H        -1.5253239735        0.2537271992       -0.3154808235
  H        -0.7712727728       -0.1553301399       -1.6923911794
       4
 i =     678, E =      -17.5485285852
  O        -1.0774115907       -0.4093097826       -0.8075058292
  H        -0.3667634175       -0.6891482563       -0.1807437946
  H        -1.5302085490        0.2564429819       -0.3120468521
  H        -0.7782556855       -0.1445279140       -1.6762528440
       4
 i =     679, E =      -17.5488620459
  O        -1.0815469092       -0.4123997327       -0.8078639225
  H        -0.3623113865       -0.7028590562       -0.1705066476
  H        -1.5368807119        0.2634200521       -0.3067559213
  H        -0.7841432162       -0.1368110580       -1.6641603859
       4
 i =     680, E =      -17.5489881860
  O        -1.0847891173       -0.4155796285       -0.8073037947
  H        -0.3595275330       -0.7180079910       -0.1648666440
  H        -1.5434434549        0.2726167882       -0.3067563781
  H        -0.7896165981       -0.1332854295       -1.6550781670
       4
 i =     681, E =      -17.5493120616
  O        -1.0887513054       -0.4185886762       -0.8070207074
  H        -0.3562205435       -0.7331167555       -0.1629868862
  H        -1.5527811083        0.2836884971       -0.3078062091
  H        -0.7936590932       -0.1297167999       -1.6520128593
       4
 i =     682, E =      -17.5495474348
  O        -1.0931141661       -0.4226198184       -0.8062153080
  H        -0.3551921333       -0.7496172461       -0.1632308814
  H        -1.5633143840        0.2943526641       -0.3126557467
  H        -0.7992627698       -0.1280945491       -1.6501449312
       4
 i =     683, E =      -17.5495013215
  O        -1.0970425618       -0.4261133561       -0.8059341158
  H        -0.3533277371       -0.7641478319       -0.1658407332
  H        -1.5761916505        0.3024109255       -0.3179517656
  H        -0.8068379068       -0.1237143442       -1.6476582546
       4
 i =     684, E =      -17.5496463624
  O        -1.1011672874       -0.4289124047       -0.8049299296
  H        -0.3493376940       -0.7766144102       -0.1701194982
  H        -1.5881777588        0.3056855236       -0.3253293391
  H        -0.8155458570       -0.1177893822       -1.6511412382
       4
 i =     685, E =      -17.5501141164
  O        -1.1052209875       -0.4310366777       -0.8035881107
  H        -0.3499382172       -0.7856764212       -0.1766788519
  H        -1.6047102422        0.3074873486       -0.3336623675
  H        -0.8212695858       -0.1114415283       -1.6567586192
       4
 i =     686, E =      -17.5505851510
  O        -1.1093337748       -0.4325523536       -0.8018144359
  H        -0.3528990470       -0.7919885166       -0.1840600992
  H        -1.6215397376        0.3071474126       -0.3441072246
  H        -0.8281657246       -0.1055011600       -1.6621471175
       4
 i =     687, E =      -17.5510225145
  O        -1.1132780922       -0.4337035419       -0.7998870025
  H        -0.3575650902       -0.7942834666       -0.1947964157
  H        -1.6364078476        0.3091818805       -0.3531162311
  H        -0.8354733385       -0.0982296808       -1.6685004926
       4
 i =     688, E =      -17.5515380270
  O        -1.1171363389       -0.4339229966       -0.7982329425
  H        -0.3672672966       -0.7969705156       -0.2071032319
  H        -1.6514268330        0.3071866939       -0.3654123177
  H        -0.8424173804       -0.0911669667       -1.6714757336
       4
 i =     689, E =      -17.5519730909
  O        -1.1210156512       -0.4340907055       -0.7969917816
  H        -0.3806934127       -0.7959687330       -0.2185770975
  H        -1.6633587970        0.3061716918       -0.3759124519
  H        -0.8456779564       -0.0881138297       -1.6721122780
       4
 i =     690, E =      -17.5522811874
  O        -1.1237316467       -0.4332523589       -0.7954042591
  H        -0.4008135917       -0.7926375455       -0.2308003688
  H        -1.6733745420        0.2993867673       -0.3880891807
  H        -0.8448185767       -0.0851563771       -1.6724029119
       4
 i =     691, E =      -17.5518924531
  O        -1.1265564764       -0.4336707282       -0.7942999579
  H        -0.4203372826       -0.7899663368       -0.2445282634
  H        -1.6874900554        0.2903834389       -0.3971752262
  H        -0.8380941916       -0.0868682999       -1.6687768086
       4
 i =     692, E =      -17.5508534123
  O        -1.1289712562       -0.4338621413       -0.7933122687
  H        -0.4348170098       -0.7879086096       -0.2592248054
  H        -1.7040886154        0.2777680328       -0.4021564403
  H        -0.8317578362       -0.0868781603       -1.6637905433
       4
 i =     693, E =      -17.5501516008
  O        -1.1325333486       -0.4335652037       -0.7927963934
  H        -0.4413666683       -0.7887198334       -0.2701098565
  H        -1.7194719609        0.2635565813       -0.4042504329
  H        -0.8295629022       -0.0867794751       -1.6588592447
       4
 i =     694, E =      -17.5499595629
  O        -1.1376080795       -0.4322549949       -0.7915715940
  H        -0.4415359302       -0.7907708250       -0.2789520353
  H        -1.7312115133        0.2466093022       -0.4049456594
  H        -0.8317196536       -0.0870174409       -1.6578796490
       4
 i =     695, E =      -17.5502192747
  O        -1.1428499463       -0.4297217882       -0.7918159740
  H        -0.4386891004       -0.7919573559       -0.2825464216
  H        -1.7397130563        0.2282577020       -0.4039365313
  H        -0.8357788226       -0.0863764586       -1.6530459830
       4
 i =     696, E =      -17.5505930451
  O        -1.1482143166       -0.4266879926       -0.7914355803
  H        -0.4335173556       -0.7980128439       -0.2852656039
  H        -1.7536852670        0.2101701698       -0.3973321902
  H        -0.8322282644       -0.0853194005       -1.6516511178
       4
 i =     697, E =      -17.5510920542
  O        -1.1540504545       -0.4230341209       -0.7919406877
  H        -0.4278329652       -0.8046040487       -0.2830564153
  H        -1.7695810449        0.1920023041       -0.3923298002
  H        -0.8282319129       -0.0842162502       -1.6515921342
       4
 i =     698, E =      -17.5509193387
  O        -1.1589173918       -0.4197597939       -0.7922840973
  H        -0.4252987964       -0.8124514470       -0.2786776254
  H        -1.7856874303        0.1764486891       -0.3867845059
  H        -0.8238774834       -0.0844517069       -1.6556168001
       4
 i =     699, E =      -17.5507625024
  O        -1.1649148593       -0.4165027141       -0.7917460736
  H        -0.4189539245       -0.8201982778       -0.2737637506
  H        -1.8024721890        0.1618507846       -0.3775214475
  H        -0.8217583014       -0.0868896596       -1.6573335145
       4
 i =     700, E =      -17.5504347937
  O        -1.1705227210       -0.4146112972       -0.7917307710
  H        -0.4136494418       -0.8307579894       -0.2690431316
  H        -1.8234582067        0.1466364884       -0.3626627422
  H        -0.8192085988       -0.0897123396       -1.6576045036
       4
 i =     701, E =      -17.5498493529
  O        -1.1754688190       -0.4135988870       -0.7917530821
  H        -0.4090137246       -0.8364703862       -0.2646929712
  H        -1.8442302475        0.1324422545       -0.3486661498
  H        -0.8168430852       -0.0928605318       -1.6546063109
       4
 i =     702, E =      -17.5492092447
  O        -1.1802976412       -0.4139640088       -0.7922078157
  H        -0.4061073860       -0.8416757135       -0.2586422675
  H        -1.8651065908        0.1222545944       -0.3334352390
  H        -0.8147624803       -0.0910921728       -1.6492770908
       4
 i =     703, E =      -17.5487391942
  O        -1.1840561867       -0.4140640934       -0.7916925956
  H        -0.4067154088       -0.8425542272       -0.2531242955
  H        -1.8837487685        0.1168207949       -0.3172821012
  H        -0.8159980602       -0.0864320627       -1.6458703884
       4
 i =     704, E =      -17.5484551996
  O        -1.1882880849       -0.4155060304       -0.7913700018
  H        -0.4140145529       -0.8433427403       -0.2529141423
  H        -1.9006712399        0.1137325212       -0.3023318976
  H        -0.8184962150       -0.0836504602       -1.6431401248
       4
 i =     705, E =      -17.5484244177
  O        -1.1928320958       -0.4161096667       -0.7921549552
  H        -0.4269988353       -0.8410958629       -0.2549031075
  H        -1.9153841734        0.1114976038       -0.2897629264
  H        -0.8227604014       -0.0806488975       -1.6376441282
       4
 i =     706, E =      -17.5487118762
  O        -1.1975435553       -0.4166635950       -0.7935525840
  H        -0.4430205258       -0.8357913574       -0.2578049323
  H        -1.9264049799        0.1073868460       -0.2821983320
  H        -0.8329247267       -0.0788224515       -1.6284019427
       4
 i =     707, E =      -17.5488084079
  O        -1.2024873521       -0.4165158306       -0.7945026692
  H        -0.4585614987       -0.8300035655       -0.2597134536
  H        -1.9356351183        0.1020174054       -0.2766039581
  H        -0.8419178556       -0.0721727284       -1.6168443841
       4
 i =     708, E =      -17.5490307151
  O        -1.2077012365       -0.4161482902       -0.7968951900
  H        -0.4745207449       -0.8216481279       -0.2640196989
  H        -1.9402428973        0.0947493645       -0.2749270998
  H        -0.8511042129       -0.0637216789       -1.6072368127
       4
 i =     709, E =      -17.5492994781
  O        -1.2130060610       -0.4163602617       -0.7999493204
  H        -0.4898159973       -0.8113439916       -0.2707541708
  H        -1.9410811495        0.0879103582       -0.2780759259
  H        -0.8571667413       -0.0545822490       -1.6004899900
       4
 i =     710, E =      -17.5493577165
  O        -1.2182866757       -0.4161302286       -0.8034736088
  H        -0.5073494546       -0.8046747190       -0.2756054416
  H        -1.9438798626        0.0799879411       -0.2844144211
  H        -0.8607599582       -0.0466364452       -1.5966289388
       4
 i =     711, E =      -17.5496208798
  O        -1.2232555245       -0.4158303158       -0.8057141871
  H        -0.5210960482       -0.7967970135       -0.2816778279
  H        -1.9434902539        0.0677090694       -0.2898581697
  H        -0.8652229524       -0.0342063938       -1.5987206169
       4
 i =     712, E =      -17.5494824989
  O        -1.2286501022       -0.4161681184       -0.8072460139
  H        -0.5359132858       -0.7875007524       -0.2898108924
  H        -1.9391336743        0.0527008016       -0.3029905260
  H        -0.8697739104       -0.0178781604       -1.6016517883
       4
 i =     713, E =      -17.5492597949
  O        -1.2335868960       -0.4161014460       -0.8083091127
  H        -0.5473883434       -0.7841026750       -0.2905381726
  H        -1.9336567035        0.0360714871       -0.3167021790
  H        -0.8755241594        0.0044478170       -1.6036422724
       4
 i =     714, E =      -17.5490064505
  O        -1.2389475631       -0.4155131336       -0.8108565005
  H        -0.5549376774       -0.7798005537       -0.2857778987
  H        -1.9312592141        0.0219287746       -0.3271863524
  H        -0.8813781119        0.0275668413       -1.6075631231
       4
 i =     715, E =      -17.5484589299
  O        -1.2447328056       -0.4147439280       -0.8132757099
  H        -0.5572457472       -0.7798729600       -0.2809072077
  H        -1.9315481887        0.0082872389       -0.3410275898
  H        -0.8859895342        0.0506088391       -1.6114229826
       4
 i =     716, E =      -17.5479990379
  O        -1.2503469257       -0.4136113037       -0.8146086810
  H        -0.5594656708       -0.7821011827       -0.2698785445
  H        -1.9366979300       -0.0003583677       -0.3514869892
  H        -0.8905326693        0.0704583895       -1.6193505024
       4
 i =     717, E =      -17.5481231934
  O        -1.2551817142       -0.4131912637       -0.8165462620
  H        -0.5578402401       -0.7899114192       -0.2580786703
  H        -1.9470618001       -0.0059421602       -0.3576913815
  H        -0.8957469706        0.0916854004       -1.6227749214
       4
 i =     718, E =      -17.5488766042
  O        -1.2592579136       -0.4122544712       -0.8191314593
  H        -0.5554753175       -0.7973669590       -0.2451510583
  H        -1.9630529544       -0.0062030176       -0.3600817159
  H        -0.9040421193        0.1105348920       -1.6233144744
       4
 i =     719, E =      -17.5493395515
  O        -1.2626679077       -0.4128804232       -0.8223101778
  H        -0.5529602746       -0.8074789301       -0.2311184568
  H        -1.9818937254       -0.0057697476       -0.3602990400
  H        -0.9173420347        0.1238016214       -1.6244289979
       4
 i =     720, E =      -17.5493273774
  O        -1.2665457664       -0.4137662509       -0.8249835555
  H        -0.5545995401       -0.8151182218       -0.2185432996
  H        -2.0013273367       -0.0003216941       -0.3555434437
  H        -0.9301840609        0.1414112052       -1.6217242898
       4
 i =     721, E =      -17.5488115866
  O        -1.2702525948       -0.4148017592       -0.8274862477
  H        -0.5593305851       -0.8200179215       -0.2086509223
  H        -2.0200638316        0.0064799128       -0.3499975726
  H        -0.9398898980        0.1548068728       -1.6181789505
       4
 i =     722, E =      -17.5480249587
  O        -1.2735694450       -0.4161079867       -0.8292606223
  H        -0.5652285780       -0.8192533125       -0.2019231523
  H        -2.0389002449        0.0115332279       -0.3427874798
  H        -0.9519328979        0.1689525719       -1.6149299437
       4
 i =     723, E =      -17.5475139725
  O        -1.2775205108       -0.4167481742       -0.8312788470
  H        -0.5763635208       -0.8168628016       -0.1995222585
  H        -2.0501462775        0.0153059062       -0.3352386798
  H        -0.9644367254        0.1822168555       -1.6080505057
       4
 i =     724, E =      -17.5469945942
  O        -1.2812250942       -0.4177049257       -0.8331754192
  H        -0.5908557879       -0.8113471946       -0.1987611133
  H        -2.0602677289        0.0189412561       -0.3317229599
  H        -0.9783507275        0.1934659892       -1.6004055491
       4
 i =     725, E =      -17.5464824198
  O        -1.2851851421       -0.4186059966       -0.8348962562
  H        -0.6053674288       -0.8079270365       -0.2012485720
  H        -2.0710430611        0.0255194285       -0.3249926734
  H        -0.9890197013        0.2080009710       -1.5837967748
       4
 i =     726, E =      -17.5459248495
  O        -1.2891686076       -0.4199233820       -0.8365608241
  H        -0.6179167572       -0.8059819619       -0.2086889881
  H        -2.0781143877        0.0337985157       -0.3207598764
  H        -0.9969162808        0.2196090723       -1.5698635226
       4
 i =     727, E =      -17.5454133070
  O        -1.2916771169       -0.4211432779       -0.8374326764
  H        -0.6317091883       -0.8039552453       -0.2188286678
  H        -2.0796531224        0.0424887067       -0.3170920339
  H        -0.9987488732        0.2286158907       -1.5553351034
       4
 i =     728, E =      -17.5446991665
  O        -1.2942729012       -0.4225145883       -0.8376589531
  H        -0.6422408881       -0.8006824693       -0.2267108081
  H        -2.0841600711        0.0481687495       -0.3139372086
  H        -0.9990704785        0.2375851002       -1.5413937294
       4
 i =     729, E =      -17.5442845799
  O        -1.2979866811       -0.4238483638       -0.8371470558
  H        -0.6502510637       -0.7997652419       -0.2318796570
  H        -2.0865404485        0.0522547944       -0.3123813592
  H        -0.9977209571        0.2471819526       -1.5251879347
       4
 i =     730, E =      -17.5445452027
  O        -1.3014381577       -0.4251763509       -0.8363151893
  H        -0.6566508276       -0.8045074075       -0.2334098542
  H        -2.0878310680        0.0502199222       -0.3116020068
  H        -0.9908505879        0.2552313984       -1.5059079394
       4
 i =     731, E =      -17.5451861686
  O        -1.3062458674       -0.4264851095       -0.8353911242
  H        -0.6614108647       -0.8103238893       -0.2350848492
  H        -2.0879088979        0.0476807513       -0.3124847048
  H        -0.9865344736        0.2625137492       -1.4858105317
       4
 i =     732, E =      -17.5465111628
  O        -1.3120736631       -0.4270660684       -0.8343597562
  H        -0.6641380217       -0.8154849515       -0.2324073318
  H        -2.0830802472        0.0455325311       -0.3165227454
  H        -0.9778406791        0.2655123218       -1.4659318082
       4
 i =     733, E =      -17.5477722336
  O        -1.3181274560       -0.4281837500       -0.8338475953
  H        -0.6654140223       -0.8216250584       -0.2339260369
  H        -2.0766109100        0.0431836291       -0.3249006522
  H        -0.9690635913        0.2666534929       -1.4512911942
       4
 i =     734, E =      -17.5494241621
  O        -1.3248096045       -0.4289211852       -0.8340810122
  H        -0.6682967387       -0.8295817042       -0.2339041990
  H        -2.0690542877        0.0353285103       -0.3291930752
  H        -0.9591202549        0.2677367871       -1.4359109824
       4
 i =     735, E =      -17.5503779080
  O        -1.3313511341       -0.4294160683       -0.8353522791
  H        -0.6703590678       -0.8387677739       -0.2315713832
  H        -2.0619321468        0.0232973491       -0.3402553933
  H        -0.9448281320        0.2687269806       -1.4223706613
       4
 i =     736, E =      -17.5507473883
  O        -1.3365320922       -0.4286097789       -0.8366280712
  H        -0.6730208904       -0.8474770639       -0.2288314391
  H        -2.0582387824        0.0117483146       -0.3509136815
  H        -0.9330180001        0.2687233602       -1.4089133066
       4
 i =     737, E =      -17.5506106443
  O        -1.3421882955       -0.4280417951       -0.8370496032
  H        -0.6749799796       -0.8566562696       -0.2245221332
  H        -2.0588695509       -0.0013866551       -0.3618861289
  H        -0.9220647524        0.2673501273       -1.3930992350
       4
 i =     738, E =      -17.5501699666
  O        -1.3482273919       -0.4279071817       -0.8377152743
  H        -0.6750257098       -0.8626851925       -0.2216287739
  H        -2.0619337972       -0.0120859507       -0.3694790586
  H        -0.9103391440        0.2678507118       -1.3782805193
       4
 i =     739, E =      -17.5499071680
  O        -1.3533631477       -0.4276780219       -0.8382545676
  H        -0.6799845140       -0.8669565638       -0.2184964239
  H        -2.0697852504       -0.0230362467       -0.3762721521
  H        -0.9002011706        0.2654550148       -1.3658646642
       4
 i =     740, E =      -17.5499463051
  O        -1.3579701083       -0.4283823713       -0.8394169335
  H        -0.6828232881       -0.8705082895       -0.2140856536
  H        -2.0806870120       -0.0310170087       -0.3784533074
  H        -0.8921413142        0.2599416596       -1.3526571266
       4
 i =     741, E =      -17.5505051191
  O        -1.3627562899       -0.4288248506       -0.8401680949
  H        -0.6897972478       -0.8707872234       -0.2117074693
  H        -2.0947894343       -0.0378108213       -0.3771787720
  H        -0.8854043081        0.2559664092       -1.3441863138
       4
 i =     742, E =      -17.5513754196
  O        -1.3674430637       -0.4295155138       -0.8408124399
  H        -0.7031193955       -0.8719432735       -0.2113223671
  H        -2.1130185481       -0.0428661119       -0.3730192091
  H        -0.8754413388        0.2495476355       -1.3374815690
       4
 i =     743, E =      -17.5520256326
  O        -1.3717904271       -0.4314639916       -0.8414008533
  H        -0.7172556648       -0.8730933602       -0.2118157366
  H        -2.1352268614       -0.0483587394       -0.3685856842
  H        -0.8674417908        0.2446452133       -1.3309642743
       4
 i =     744, E =      -17.5521890137
  O        -1.3748921898       -0.4332914505       -0.8429749371
  H        -0.7321003598       -0.8798989974       -0.2101905765
  H        -2.1572017610       -0.0569218269       -0.3609942607
  H        -0.8608582238        0.2432795822       -1.3246778960
       4
 i =     745, E =      -17.5517336885
  O        -1.3772857587       -0.4347679293       -0.8459335338
  H        -0.7456145216       -0.8873032361       -0.2094478264
  H        -2.1790791638       -0.0657331221       -0.3533806654
  H        -0.8560263135        0.2432497658       -1.3149145260
       4
 i =     746, E =      -17.5510015704
  O        -1.3792857352       -0.4360074654       -0.8493592486
  H        -0.7586631586       -0.8946703184       -0.2130395097
  H        -2.1967982690       -0.0735678405       -0.3497543646
  H        -0.8496983758        0.2432313382       -1.3052948662
       4
 i =     747, E =      -17.5502145080
  O        -1.3822852737       -0.4384610822       -0.8529379403
  H        -0.7708193309       -0.8996039072       -0.2206249212
  H        -2.2106336879       -0.0811620880       -0.3484869078
  H        -0.8416049716        0.2417827335       -1.2977515344
       4
 i =     748, E =      -17.5495797946
  O        -1.3859835542       -0.4412179616       -0.8561087421
  H        -0.7799378082       -0.9032483353       -0.2265630985
  H        -2.2200672629       -0.0913369900       -0.3469019285
  H        -0.8314185036        0.2445432400       -1.2950160036
       4
 i =     749, E =      -17.5493711254
  O        -1.3901433388       -0.4436251634       -0.8590867553
  H        -0.7907227871       -0.9133947167       -0.2314306366
  H        -2.2240690914       -0.1045074200       -0.3477269628
  H        -0.8257676298        0.2500916291       -1.2956540375
       4
 i =     750, E =      -17.5487087302
  O        -1.3956977802       -0.4460610856       -0.8617426129
  H        -0.8010336784       -0.9182393556       -0.2352838006
  H        -2.2265534500       -0.1191185932       -0.3443009228
  H        -0.8188277174        0.2590842654       -1.2957286479
       4
 i =     751, E =      -17.5477225454
  O        -1.4021907422       -0.4484618600       -0.8638725530
  H        -0.8119498161       -0.9234430337       -0.2393604433
  H        -2.2300572445       -0.1357879225       -0.3446422051
  H        -0.8132401679        0.2699364140       -1.2983823791
       4
 i =     752, E =      -17.5465007845
  O        -1.4083961222       -0.4499956068       -0.8656377269
  H        -0.8217612170       -0.9322351168       -0.2430190253
  H        -2.2353156487       -0.1465082474       -0.3460972303
  H        -0.8105613682        0.2814079088       -1.3023864271
       4
 i =     753, E =      -17.5455989443
  O        -1.4140704722       -0.4512983471       -0.8684609008
  H        -0.8263686764       -0.9422903276       -0.2454904350
  H        -2.2395320851       -0.1540315342       -0.3453950918
  H        -0.8145874671        0.2878189643       -1.3088261921
       4
 i =     754, E =      -17.5453686350
  O        -1.4178541225       -0.4521108567       -0.8705421041
  H        -0.8333937440       -0.9527340326       -0.2491978127
  H        -2.2414220924       -0.1581823091       -0.3455664469
  H        -0.8234306898        0.2905865548       -1.3128367696
       4
 i =     755, E =      -17.5453731368
  O        -1.4206134404       -0.4528429102       -0.8720021290
  H        -0.8421168199       -0.9624760681       -0.2543677952
  H        -2.2446727391       -0.1628288149       -0.3473147646
  H        -0.8309763955        0.2916759452       -1.3132635337
       4
 i =     756, E =      -17.5459096130
  O        -1.4228239380       -0.4536886573       -0.8738687827
  H        -0.8475645027       -0.9746513821       -0.2557410682
  H        -2.2439293656       -0.1681827490       -0.3492551650
  H        -0.8418775061        0.2905841565       -1.3097333522
       4
 i =     757, E =      -17.5466427732
  O        -1.4242515089       -0.4545054202       -0.8750397660
  H        -0.8564621452       -0.9838028033       -0.2568721384
  H        -2.2396279603       -0.1716385575       -0.3470110372
  H        -0.8554053536        0.2879045041       -1.3041418856
       4
 i =     758, E =      -17.5474633745
  O        -1.4256414276       -0.4557547163       -0.8760592124
  H        -0.8687570660       -0.9938459521       -0.2578053694
  H        -2.2348668290       -0.1730113956       -0.3472273403
  H        -0.8727905045        0.2838823992       -1.2991732769
       4
 i =     759, E =      -17.5480049899
  O        -1.4267919243       -0.4572111179       -0.8769939518
  H        -0.8820672130       -1.0014416516       -0.2595172316
  H        -2.2323940677       -0.1757091118       -0.3491203495
  H        -0.8953076967        0.2800409630       -1.2996769999
       4
 i =     760, E =      -17.5482892922
  O        -1.4286225921       -0.4584413145       -0.8766265693
  H        -0.8917322060       -1.0069836844       -0.2646422160
  H        -2.2291750547       -0.1792704543       -0.3496869729
  H        -0.9203550585        0.2762875381       -1.3013844773
       4
 i =     761, E =      -17.5484269967
  O        -1.4295710607       -0.4604551615       -0.8760542115
  H        -0.8963969798       -1.0132018353       -0.2723526755
  H        -2.2260337811       -0.1813075327       -0.3553889764
  H        -0.9446798252        0.2741926328       -1.2964247894
       4
 i =     762, E =      -17.5481411994
  O        -1.4316095515       -0.4629842749       -0.8751915982
  H        -0.9029037718       -1.0162053994       -0.2826669605
  H        -2.2227309543       -0.1817881662       -0.3593073877
  H        -0.9650615674        0.2675549626       -1.2911008180
       4
 i =     763, E =      -17.5479346254
  O        -1.4330997592       -0.4654777687       -0.8750087228
  H        -0.9053653377       -1.0215139943       -0.2931268980
  H        -2.2234065654       -0.1796775791       -0.3674088787
  H        -0.9820847543        0.2641169643       -1.2845575496
       4
 i =     764, E =      -17.5482082469
  O        -1.4355277882       -0.4683824109       -0.8746517878
  H        -0.9056682474       -1.0301064023       -0.3011652547
  H        -2.2254985856       -0.1757721011       -0.3764454993
  H        -0.9934323461        0.2612023425       -1.2820965229
       4
 i =     765, E =      -17.5489953522
  O        -1.4380070946       -0.4711106306       -0.8745067679
  H        -0.9051695855       -1.0429486629       -0.3064710020
  H        -2.2280404988       -0.1748457945       -0.3854659738
  H        -0.9962911325        0.2595001657       -1.2814083137
       4
 i =     766, E =      -17.5499286939
  O        -1.4403681712       -0.4737307304       -0.8748409314
  H        -0.9032197059       -1.0568458369       -0.3138983169
  H        -2.2301240730       -0.1726552966       -0.3973220247
  H        -0.9964961899        0.2583949129       -1.2835832881
       4
 i =     767, E =      -17.5509614240
  O        -1.4428186353       -0.4763042534       -0.8745339564
  H        -0.8996667892       -1.0747348933       -0.3215103756
  H        -2.2335789054       -0.1697066714       -0.4084175652
  H        -0.9920799030        0.2574909471       -1.2860996833
       4
 i =     768, E =      -17.5518712934
  O        -1.4460525295       -0.4786180673       -0.8750024517
  H        -0.8966174184       -1.0906307029       -0.3286587073
  H        -2.2420982519       -0.1661072826       -0.4191657013
  H        -0.9869442808        0.2608368322       -1.2884573168
       4
 i =     769, E =      -17.5520787955
  O        -1.4498788263       -0.4802310767       -0.8749288886
  H        -0.8926215223       -1.1110167526       -0.3329380582
  H        -2.2488203551       -0.1617729106       -0.4306221455
  H        -0.9816816822        0.2653225951       -1.2925040448
       4
 i =     770, E =      -17.5513502102
  O        -1.4531326051       -0.4819529187       -0.8745153454
  H        -0.8861448847       -1.1277064011       -0.3338101794
  H        -2.2531233132       -0.1554618856       -0.4465148894
  H        -0.9796244380        0.2670167878       -1.2977362127
       4
 i =     771, E =      -17.5506857217
  O        -1.4563884805       -0.4836856912       -0.8737846764
  H        -0.8811017651       -1.1410983786       -0.3386711718
  H        -2.2592896785       -0.1459007016       -0.4573913158
  H        -0.9742338143        0.2640390569       -1.2999202204
       4
 i =     772, E =      -17.5500390868
  O        -1.4594239911       -0.4857225856       -0.8727464597
  H        -0.8770756824       -1.1506787497       -0.3413389565
  H        -2.2690509977       -0.1374589802       -0.4648769617
  H        -0.9655495314        0.2637542909       -1.3031480991
       4
 i =     773, E =      -17.5494747832
  O        -1.4625314342       -0.4881230924       -0.8719478430
  H        -0.8750296000       -1.1574917158       -0.3460255284
  H        -2.2823245154       -0.1309921424       -0.4714426797
  H        -0.9543572320        0.2624363597       -1.3043616217
       4
 i =     774, E =      -17.5493741410
  O        -1.4661874095       -0.4902018754       -0.8716844736
  H        -0.8788189387       -1.1634863140       -0.3561295780
  H        -2.2967249765       -0.1315099370       -0.4726107333
  H        -0.9461597084        0.2576608085       -1.3060075729
       4
 i =     775, E =      -17.5495234831
  O        -1.4694151136       -0.4920260148       -0.8717038331
  H        -0.8854332530       -1.1656814276       -0.3642226917
  H        -2.3067099020       -0.1312913466       -0.4766800706
  H        -0.9394221916        0.2489927567       -1.3078094700
       4
 i =     776, E =      -17.5500778628
  O        -1.4722321259       -0.4942497204       -0.8719946828
  H        -0.8967793891       -1.1648170133       -0.3790691389
  H        -2.3185738942       -0.1324277465       -0.4788006230
  H        -0.9387675729        0.2384922087       -1.3065626646
       4
 i =     777, E =      -17.5505067204
  O        -1.4739196496       -0.4966083372       -0.8723426238
  H        -0.9080072590       -1.1618314039       -0.3913179918
  H        -2.3255744098       -0.1342460470       -0.4807363448
  H        -0.9416955564        0.2238580945       -1.3041863362
       4
 i =     778, E =      -17.5507512669
  O        -1.4760286303       -0.4980436528       -0.8728144723
  H        -0.9223011435       -1.1582474997       -0.3991837173
  H        -2.3290102488       -0.1397163162       -0.4803401337
  H        -0.9477235313        0.2110522035       -1.3045348903
       4
 i =     779, E =      -17.5505315431
  O        -1.4790792833       -0.4996604936       -0.8733424686
  H        -0.9396500917       -1.1522037212       -0.4034312932
  H        -2.3306050179       -0.1441445867       -0.4771234998
  H        -0.9524541800        0.2004349082       -1.3034640024
       4
 i =     780, E =      -17.5501954800
  O        -1.4819595493       -0.5005848738       -0.8735655714
  H        -0.9620136874       -1.1524864716       -0.4047196944
  H        -2.3298421469       -0.1532682693       -0.4729395967
  H        -0.9587868471        0.1947632447       -1.3009805762
       4
 i =     781, E =      -17.5495842867
  O        -1.4852040237       -0.5008318555       -0.8738312751
  H        -0.9828256774       -1.1510968644       -0.4056766630
  H        -2.3250374384       -0.1616606680       -0.4678811034
  H        -0.9638063832        0.1913668606       -1.2969414409
       4
 i =     782, E =      -17.5492132817
  O        -1.4887779292       -0.5006513528       -0.8745405956
  H        -1.0002926064       -1.1512394923       -0.4033641293
  H        -2.3220155696       -0.1683570938       -0.4646776917
  H        -0.9658895591        0.1922618061       -1.2962019791
       4
 i =     783, E =      -17.5495558694
  O        -1.4929890281       -0.5007122142       -0.8754650204
  H        -1.0114276003       -1.1582958082       -0.3988943929
  H        -2.3179903168       -0.1740674652       -0.4585266417
  H        -0.9693156441        0.1956949835       -1.2963822928
       4
 i =     784, E =      -17.5503406643
  O        -1.4966944319       -0.5005896527       -0.8764339991
  H        -1.0180313384       -1.1719238911       -0.3914717994
  H        -2.3148004177       -0.1778318563       -0.4521199979
  H        -0.9737608236        0.2011818653       -1.3013820270
       4
 i =     785, E =      -17.5509406239
  O        -1.5000837367       -0.5009387799       -0.8781805234
  H        -1.0223685284       -1.1876429124       -0.3849290102
  H        -2.3158652203       -0.1819632043       -0.4471530551
  H        -0.9782846925        0.2054494353       -1.3105392923
       4
 i =     786, E =      -17.5511609431
  O        -1.5038177319       -0.5013809141       -0.8796560481
  H        -1.0244106003       -1.2037235751       -0.3790191140
  H        -2.3165217307       -0.1861079287       -0.4418874258
  H        -0.9827905868        0.2085063797       -1.3197915215
       4
 i =     787, E =      -17.5510019175
  O        -1.5084914039       -0.5010551521       -0.8813312726
  H        -1.0257203876       -1.2177742971       -0.3738188551
  H        -2.3211621771       -0.1914710307       -0.4347558464
  H        -0.9909385161        0.2158357615       -1.3248896626
       4
 i =     788, E =      -17.5504850227
  O        -1.5135194891       -0.5023727966       -0.8834803219
  H        -1.0304508176       -1.2311354254       -0.3665296627
  H        -2.3298978910       -0.1976696464       -0.4274351414
  H        -0.9985033936        0.2228285971       -1.3296673117
       4
 i =     789, E =      -17.5499025084
  O        -1.5177798534       -0.5036815220       -0.8854472785
  H        -1.0364293664       -1.2406525395       -0.3602273042
  H        -2.3355078130       -0.1972490376       -0.4237114340
  H        -1.0081763580        0.2280958499       -1.3332384992
       4
 i =     790, E =      -17.5494542224
  O        -1.5210340962       -0.5043842502       -0.8875273214
  H        -1.0489328825       -1.2460633969       -0.3538387270
  H        -2.3409144495       -0.1964508201       -0.4178115996
  H        -1.0225488788        0.2299072981       -1.3386548121
       4
 i =     791, E =      -17.5491330400
  O        -1.5235906130       -0.5063497933       -0.8888146991
  H        -1.0594838279       -1.2487975225       -0.3500889867
  H        -2.3512343168       -0.1969573475       -0.4103473226
  H        -1.0334623794        0.2287371573       -1.3409445000
       4
 i =     792, E =      -17.5486675216
  O        -1.5256640976       -0.5074237765       -0.8905106627
  H        -1.0703863172       -1.2478100450       -0.3450091913
  H        -2.3603696987       -0.2017058184       -0.4015436702
  H        -1.0454583077        0.2281742977       -1.3382432518
       4
 i =     793, E =      -17.5484443669
  O        -1.5275796434       -0.5084643763       -0.8922521412
  H        -1.0811590756       -1.2447383743       -0.3447158595
  H        -2.3648750434       -0.2058888901       -0.3959326672
  H        -1.0583701696        0.2266169217       -1.3325508587
       4
 i =     794, E =      -17.5484040742
  O        -1.5296507390       -0.5093742134       -0.8940560910
  H        -1.0875840411       -1.2418074014       -0.3488441448
  H        -2.3663389602       -0.2122236009       -0.3911818076
  H        -1.0674463702        0.2220111895       -1.3259837102
       4
 i =     795, E =      -17.5488973896
  O        -1.5326948804       -0.5108148143       -0.8939024531
  H        -1.0933132558       -1.2371397239       -0.3571381843
  H        -2.3658405547       -0.2189547275       -0.3902325438
  H        -1.0754226995        0.2199108124       -1.3252657916
       4
 i =     796, E =      -17.5494986383
  O        -1.5356933737       -0.5124444623       -0.8932265507
  H        -1.0973992732       -1.2325030583       -0.3656149364
  H        -2.3606940005       -0.2238165750       -0.3920536272
  H        -1.0813598018        0.2165136989       -1.3262272794
       4
 i =     797, E =      -17.5500595133
  O        -1.5393487019       -0.5143839839       -0.8928923351
  H        -1.0986615666       -1.2236556711       -0.3720089469
  H        -2.3522505098       -0.2294772387       -0.4005777336
  H        -1.0843343784        0.2099175948       -1.3256586638
       4
 i =     798, E =      -17.5502284941
  O        -1.5432239756       -0.5160823576       -0.8917233414
  H        -1.0988116710       -1.2217788639       -0.3806555278
  H        -2.3423560811       -0.2375639010       -0.4081834792
  H        -1.0827736564        0.2027479216       -1.3262395624
       4
 i =     799, E =      -17.5499088607
  O        -1.5483799375       -0.5178203030       -0.8899653872
  H        -1.0958247660       -1.2214705194       -0.3861517168
  H        -2.3338272341       -0.2444079426       -0.4175508228
  H        -1.0823516419        0.1976498163       -1.3269363702
       4
 i =     800, E =      -17.5493742536
  O        -1.5536458321       -0.5199169906       -0.8884696649
  H        -1.0909030024       -1.2201789214       -0.3911170150
  H        -2.3303701685       -0.2535859075       -0.4242000787
  H        -1.0812393326        0.1964608548       -1.3251849296
       4
 i =     801, E =      -17.5493846752
  O        -1.5588176191       -0.5221296118       -0.8873075068
  H        -1.0866899737       -1.2182338369       -0.3975895954
  H        -2.3349787323       -0.2586214528       -0.4276022629
  H        -1.0795176460        0.1969851206       -1.3293336599
       4
 i =     802, E =      -17.5499314740
  O        -1.5641608411       -0.5240410007       -0.8870079203
  H        -1.0801331130       -1.2134299468       -0.4058217966
  H        -2.3448061424       -0.2630827032       -0.4249489321
  H        -1.0779124281        0.1970136145       -1.3337022978
       4
 i =     803, E =      -17.5507862508
  O        -1.5686706029       -0.5254963006       -0.8861753208
  H        -1.0714460304       -1.2107298864       -0.4115563183
  H        -2.3575670602       -0.2666221253       -0.4193152088
  H        -1.0713062429        0.1941100773       -1.3371774616
       4
 i =     804, E =      -17.5514860159
  O        -1.5726118973       -0.5268852460       -0.8863166442
  H        -1.0617803151       -1.2083029215       -0.4136416266
  H        -2.3750700610       -0.2710080033       -0.4125577392
  H        -1.0606541966        0.1903376790       -1.3429986409
       4
 i =     805, E =      -17.5517192081
  O        -1.5766027247       -0.5279033185       -0.8868683913
  H        -1.0550423776       -1.2074902111       -0.4164694761
  H        -2.3926771001       -0.2725063325       -0.4005776829
  H        -1.0525590427        0.1841711524       -1.3484563541
       4
 i =     806, E =      -17.5515280534
  O        -1.5802580300       -0.5302338450       -0.8873160192
  H        -1.0476885388       -1.2058681046       -0.4188892091
  H        -2.4111206218       -0.2730721440       -0.3874827023
  H        -1.0486823972        0.1762307773       -1.3486658127
       4
 i =     807, E =      -17.5511272356
  O        -1.5838408705       -0.5319890707       -0.8866751002
  H        -1.0406277278       -1.2049058287       -0.4216759349
  H        -2.4299578653       -0.2714826208       -0.3843911808
  H        -1.0455189322        0.1675041240       -1.3458442986
       4
 i =     808, E =      -17.5508498534
  O        -1.5879125001       -0.5343112512       -0.8863248892
  H        -1.0337527379       -1.2086297799       -0.4247144780
  H        -2.4430224288       -0.2707758941       -0.3848733681
  H        -1.0443369021        0.1588258040       -1.3415868893
       4
 i =     809, E =      -17.5504056489
  O        -1.5911623346       -0.5369704626       -0.8855931109
  H        -1.0254054132       -1.2094494709       -0.4306641133
  H        -2.4529449805       -0.2625830097       -0.3850363866
  H        -1.0416651075        0.1487713350       -1.3327196959
       4
 i =     810, E =      -17.5500951269
  O        -1.5941466438       -0.5385662986       -0.8840909657
  H        -1.0174460272       -1.2095854308       -0.4363001674
  H        -2.4602054723       -0.2546907388       -0.3882244957
  H        -1.0427670302        0.1425698076       -1.3237375431
       4
 i =     811, E =      -17.5498710533
  O        -1.5965950368       -0.5403494149       -0.8838420765
  H        -1.0122016077       -1.2112538947       -0.4403753978
  H        -2.4636892005       -0.2470827241       -0.3927311468
  H        -1.0421540113        0.1380152161       -1.3173003131
       4
 i =     812, E =      -17.5499504874
  O        -1.5985289189       -0.5423924372       -0.8838173960
  H        -1.0078648093       -1.2118052662       -0.4495675556
  H        -2.4618801803       -0.2439148893       -0.3992720304
  H        -1.0420907811        0.1305899979       -1.3106333856
       4
 i =     813, E =      -17.5502094181
  O        -1.6003898982       -0.5441519041       -0.8840414912
  H        -1.0055379096       -1.2106902350       -0.4574728432
  H        -2.4561571291       -0.2438441774       -0.4069006168
  H        -1.0400425280        0.1253942863       -1.3079424418
       4
 i =     814, E =      -17.5506471992
  O        -1.6026774553       -0.5461425703       -0.8845687884
  H        -1.0069621864       -1.2130374522       -0.4604393063
  H        -2.4461440080       -0.2469856329       -0.4161101041
  H        -1.0372250395        0.1205705062       -1.3042365044
       4
 i =     815, E =      -17.5507361718
  O        -1.6055696780       -0.5477706329       -0.8846482077
  H        -1.0082774537       -1.2214184289       -0.4657781039
  H        -2.4372583220       -0.2529000322       -0.4266557597
  H        -1.0347076702        0.1173914503       -1.3007428876
       4
 i =     816, E =      -17.5505842103
  O        -1.6085455652       -0.5499419052       -0.8860727495
  H        -1.0117113905       -1.2331895208       -0.4719627548
  H        -2.4297097241       -0.2588668670       -0.4339139162
  H        -1.0362497261        0.1144455415       -1.3014478899
       4
 i =     817, E =      -17.5502898039
  O        -1.6114989627       -0.5527033487       -0.8870752028
  H        -1.0180436732       -1.2448825739       -0.4763825906
  H        -2.4251820772       -0.2627261805       -0.4401336528
  H        -1.0368100832        0.1106328765       -1.3002945777
       4
 i =     818, E =      -17.5499502021
  O        -1.6144170257       -0.5554710994       -0.8887191012
  H        -1.0265176087       -1.2547893190       -0.4789939248
  H        -2.4201769854       -0.2708803114       -0.4452761434
  H        -1.0369887677        0.1110537540       -1.2955597807
       4
 i =     819, E =      -17.5499776284
  O        -1.6156344594       -0.5579742605       -0.8904251746
  H        -1.0370964301       -1.2614402354       -0.4809260126
  H        -2.4209767597       -0.2775729493       -0.4502230174
  H        -1.0382809752        0.1110741487       -1.2910319666
       4
 i =     820, E =      -17.5501186042
  O        -1.6165128737       -0.5599862871       -0.8927772850
  H        -1.0466612084       -1.2670338089       -0.4838723083
  H        -2.4210151755       -0.2833133403       -0.4539946659
  H        -1.0365976814        0.1128880260       -1.2866556740
       4
 i =     821, E =      -17.5504928354
  O        -1.6164677492       -0.5631183229       -0.8954429992
  H        -1.0578764350       -1.2724965602       -0.4848771472
  H        -2.4234957253       -0.2844393158       -0.4556368818
  H        -1.0376859448        0.1141187485       -1.2861615053
       4
 i =     822, E =      -17.5510006815
  O        -1.6170608106       -0.5660900699       -0.8985233090
  H        -1.0704780474       -1.2763326789       -0.4857901515
  H        -2.4289251156       -0.2857727126       -0.4554691697
  H        -1.0418137566        0.1166303669       -1.2826321229
       4
 i =     823, E =      -17.5513786027
  O        -1.6182526885       -0.5680162740       -0.9013499188
  H        -1.0831920162       -1.2815656614       -0.4891131161
  H        -2.4375734264       -0.2862719137       -0.4563559219
  H        -1.0449885569        0.1190671028       -1.2780379124
       4
 i =     824, E =      -17.5516884481
  O        -1.6194945362       -0.5690734027       -0.9044884003
  H        -1.0946671062       -1.2883504718       -0.4919523493
  H        -2.4485429465       -0.2836587703       -0.4558204378
  H        -1.0498417679        0.1220430938       -1.2712082377
       4
 i =     825, E =      -17.5518789826
  O        -1.6202815917       -0.5707306054       -0.9073912378
  H        -1.1056139622       -1.2951914833       -0.4921274896
  H        -2.4591439976       -0.2801838888       -0.4535043338
  H        -1.0547900469        0.1283311745       -1.2641401703
       4
 i =     826, E =      -17.5517832674
  O        -1.6218472221       -0.5716750231       -0.9098981237
  H        -1.1153036463       -1.3062667219       -0.4934343527
  H        -2.4682941009       -0.2740158958       -0.4485404613
  H        -1.0562867643        0.1340481583       -1.2587015352
       4
 i =     827, E =      -17.5514046041
  O        -1.6235716651       -0.5728588540       -0.9120123010
  H        -1.1262505843       -1.3165297290       -0.4912652750
  H        -2.4760339637       -0.2663536757       -0.4441128929
  H        -1.0601055123        0.1386797761       -1.2513409124
       4
 i =     828, E =      -17.5510084057
  O        -1.6254615015       -0.5740209498       -0.9144852916
  H        -1.1353872035       -1.3268900547       -0.4908899720
  H        -2.4823798486       -0.2606585386       -0.4406742703
  H        -1.0598591902        0.1459859406       -1.2475692975
       4
 i =     829, E =      -17.5506280316
  O        -1.6279841184       -0.5739732788       -0.9151332815
  H        -1.1460725956       -1.3374062333       -0.4868164119
  H        -2.4849391249       -0.2559612079       -0.4353538515
  H        -1.0646224830        0.1545766017       -1.2435504056
       4
 i =     830, E =      -17.5502341099
  O        -1.6295139855       -0.5737256436       -0.9168514720
  H        -1.1574402834       -1.3468150850       -0.4847423506
  H        -2.4854249336       -0.2533584085       -0.4301613720
  H        -1.0707040290        0.1615598337       -1.2405270736
       4
 i =     831, E =      -17.5499008091
  O        -1.6307924924       -0.5734368330       -0.9182827028
  H        -1.1688768920       -1.3532878413       -0.4847711364
  H        -2.4863993844       -0.2535148850       -0.4231144769
  H        -1.0753450678        0.1635372969       -1.2366816536
       4
 i =     832, E =      -17.5503671932
  O        -1.6329959234       -0.5725285918       -0.9187976668
  H        -1.1835100137       -1.3519485265       -0.4852880563
  H        -2.4836445578       -0.2588193248       -0.4200517635
  H        -1.0782397067        0.1643754166       -1.2290914410
       4
 i =     833, E =      -17.5510131268
  O        -1.6366579419       -0.5710119568       -0.9191080165
  H        -1.1993547962       -1.3503619791       -0.4853736044
  H        -2.4777619259       -0.2627576215       -0.4206830934
  H        -1.0802609943        0.1680865299       -1.2210404286
       4
 i =     834, E =      -17.5517979359
  O        -1.6403915656       -0.5700374213       -0.9189896827
  H        -1.2123219716       -1.3452077285       -0.4839036095
  H        -2.4654098826       -0.2662063397       -0.4210065974
  H        -1.0796215985        0.1730007856       -1.2078268900
       4
 i =     835, E =      -17.5521376120
  O        -1.6450943321       -0.5693266448       -0.9189071534
  H        -1.2264062171       -1.3420772479       -0.4764021510
  H        -2.4524022530       -0.2685010808       -0.4238417993
  H        -1.0801586702        0.1781058158       -1.1943812836
       4
 i =     836, E =      -17.5520287112
  O        -1.6501726007       -0.5693333566       -0.9190813671
  H        -1.2378425518       -1.3398751533       -0.4678766453
  H        -2.4411061022       -0.2720354991       -0.4250779711
  H        -1.0794815979        0.1800478747       -1.1787583283
       4
 i =     837, E =      -17.5514162249
  O        -1.6555319824       -0.5694771764       -0.9202679428
  H        -1.2471867794       -1.3363292501       -0.4625036661
  H        -2.4303527025       -0.2747143007       -0.4340949091
  H        -1.0784527952        0.1894388195       -1.1656848270
       4
 i =     838, E =      -17.5504592695
  O        -1.6600770923       -0.5699871404       -0.9204727581
  H        -1.2557746412       -1.3325197772       -0.4564401922
  H        -2.4235604839       -0.2766651321       -0.4422669389
  H        -1.0776553694        0.1986932419       -1.1526274891
       4
 i =     839, E =      -17.5492858852
  O        -1.6655691330       -0.5715166277       -0.9204091335
  H        -1.2662074954       -1.3262756909       -0.4557581315
  H        -2.4174259428       -0.2809192491       -0.4461248083
  H        -1.0743515777        0.2037732863       -1.1377806765
       4
 i =     840, E =      -17.5487941091
  O        -1.6707135986       -0.5731530632       -0.9212690443
  H        -1.2756178192       -1.3226938623       -0.4538647102
  H        -2.4200328817       -0.2814550132       -0.4487727606
  H        -1.0720733096        0.2078402114       -1.1235476029
       4
 i =     841, E =      -17.5491877746
  O        -1.6758172826       -0.5748662096       -0.9219474797
  H        -1.2813112324       -1.3191149247       -0.4515967621
  H        -2.4284694126       -0.2801120333       -0.4479060190
  H        -1.0710146481        0.2095915793       -1.1039615296
       4
 i =     842, E =      -17.5502442495
  O        -1.6800701572       -0.5770823301       -0.9234362179
  H        -1.2858229085       -1.3206160157       -0.4497711960
  H        -2.4419553423       -0.2773612280       -0.4437126514
  H        -1.0712406160        0.2087202756       -1.0852970541
       4
 i =     843, E =      -17.5513995912
  O        -1.6841553196       -0.5793483738       -0.9249955796
  H        -1.2853104554       -1.3251456934       -0.4471014197
  H        -2.4582406907       -0.2743814946       -0.4371964694
  H        -1.0693722678        0.2047459037       -1.0653995733
       4
 i =     844, E =      -17.5520939565
  O        -1.6878658645       -0.5806675783       -0.9260975442
  H        -1.2839027719       -1.3294478246       -0.4434692803
  H        -2.4737831477       -0.2719747277       -0.4283223536
  H        -1.0668687793        0.1966128764       -1.0478897879
       4
 i =     845, E =      -17.5521861068
  O        -1.6908589409       -0.5810424352       -0.9278632436
  H        -1.2837539876       -1.3327671562       -0.4401876356
  H        -2.4849834111       -0.2690862405       -0.4184692018
  H        -1.0684034622        0.1881546895       -1.0310632238
       4
 i =     846, E =      -17.5519957795
  O        -1.6934176773       -0.5806302538       -0.9296312849
  H        -1.2855163835       -1.3339996835       -0.4365824059
  H        -2.4975289368       -0.2702205121       -0.4098003376
  H        -1.0672553905        0.1783618222       -1.0151083129
       4
 i =     847, E =      -17.5514185732
  O        -1.6963017574       -0.5803969830       -0.9312747843
  H        -1.2888858850       -1.3296917187       -0.4334425033
  H        -2.5123519770       -0.2696702418       -0.4022579985
  H        -1.0647183771        0.1691220588       -0.9937983752
       4
 i =     848, E =      -17.5506392761
  O        -1.6993932151       -0.5796741592       -0.9324275021
  H        -1.2940120452       -1.3266509373       -0.4310521149
  H        -2.5254404083       -0.2686722340       -0.3960819519
  H        -1.0636630259        0.1606494690       -0.9726229521
       4
 i =     849, E =      -17.5502798774
  O        -1.7024247053       -0.5789208956       -0.9325925898
  H        -1.2980643100       -1.3268900516       -0.4318926431
  H        -2.5317581141       -0.2649139759       -0.3937883710
  H        -1.0609288279        0.1552879411       -0.9581960122
       4
 i =     850, E =      -17.5497621993
  O        -1.7051206134       -0.5787914246       -0.9329554062
  H        -1.3010679614       -1.3260166183       -0.4314779231
  H        -2.5396703236       -0.2599288698       -0.3898510975
  H        -1.0562792308        0.1577431719       -0.9412700334
       4
 i =     851, E =      -17.5494014863
  O        -1.7086800654       -0.5784276695       -0.9344866344
  H        -1.3051304898       -1.3252857646       -0.4330183004
  H        -2.5446374030       -0.2535501005       -0.3893181411
  H        -1.0503715123        0.1600939634       -0.9296998588
       4
 i =     852, E =      -17.5492247513
  O        -1.7126445310       -0.5775314235       -0.9366509333
  H        -1.3072611704       -1.3239844229       -0.4354497495
  H        -2.5462201664       -0.2514281496       -0.3892984932
  H        -1.0445891612        0.1597611488       -0.9192684354
       4
 i =     853, E =      -17.5493514601
  O        -1.7171757044       -0.5760639369       -0.9385846990
  H        -1.3081482278       -1.3260358653       -0.4378446942
  H        -2.5412182100       -0.2509163734       -0.3904353039
  H        -1.0355060303        0.1566869598       -0.9041273043
       4
 i =     854, E =      -17.5494250349
  O        -1.7214079957       -0.5758306792       -0.9399322069
  H        -1.3113879252       -1.3247346863       -0.4394035697
  H        -2.5307241431       -0.2508278920       -0.3916874112
  H        -1.0258774801        0.1510790442       -0.8911898980
       4
 i =     855, E =      -17.5494075596
  O        -1.7258787563       -0.5754658660       -0.9402445740
  H        -1.3174523224       -1.3242757586       -0.4415185028
  H        -2.5203377353       -0.2552535327       -0.3935635395
  H        -1.0198240313        0.1454520974       -0.8771895344
       4
 i =     856, E =      -17.5490273815
  O        -1.7310105927       -0.5757445333       -0.9415250318
  H        -1.3249309684       -1.3245315654       -0.4466824773
  H        -2.5100138703       -0.2635493995       -0.3978075752
  H        -1.0140015877        0.1403455793       -0.8626403668
       4
 i =     857, E =      -17.5483191276
  O        -1.7351204178       -0.5766845947       -0.9424604051
  H        -1.3327664871       -1.3248545803       -0.4527972172
  H        -2.5008112298       -0.2735289754       -0.4034123335
  H        -1.0080402768        0.1383164992       -0.8562975408
       4
 i =     858, E =      -17.5476619893
  O        -1.7388044171       -0.5778450136       -0.9432020961
  H        -1.3380363003       -1.3259727998       -0.4594726485
  H        -2.4971952091       -0.2809491206       -0.4093969018
  H        -1.0055892808        0.1370941019       -0.8494887286
       4
 i =     859, E =      -17.5473911239
  O        -1.7421940103       -0.5773243227       -0.9448167852
  H        -1.3449520473       -1.3306236308       -0.4636984364
  H        -2.4981717953       -0.2869092321       -0.4173191990
  H        -1.0103348651        0.1360017015       -0.8410975498
       4
 i =     860, E =      -17.5473143364
  O        -1.7445301787       -0.5757413000       -0.9469364687
  H        -1.3534605657       -1.3377078523       -0.4652863000
  H        -2.4988662537       -0.2950038462       -0.4239402126
  H        -1.0190076066        0.1336392254       -0.8380175453
       4
 i =     861, E =      -17.5471969301
  O        -1.7470812922       -0.5737120028       -0.9496159040
  H        -1.3614932949       -1.3463146477       -0.4669624479
  H        -2.5019157884       -0.2990685312       -0.4329469854
  H        -1.0268023661        0.1296402006       -0.8362787294
       4
 i =     862, E =      -17.5472273682
  O        -1.7497996303       -0.5714840173       -0.9519505764
  H        -1.3695558310       -1.3547021096       -0.4704965725
  H        -2.5089931184       -0.3017674840       -0.4418462182
  H        -1.0362473373        0.1252058694       -0.8337837740
       4
 i =     863, E =      -17.5477545084
  O        -1.7512158221       -0.5693016196       -0.9539667996
  H        -1.3759138408       -1.3630894926       -0.4743900634
  H        -2.5210796030       -0.2994854900       -0.4454757040
  H        -1.0456433550        0.1222803317       -0.8301027295
       4
 i =     864, E =      -17.5481912668
  O        -1.7515015059       -0.5673442324       -0.9557624288
  H        -1.3790708487       -1.3696838434       -0.4779740828
  H        -2.5348588153       -0.2964345396       -0.4484081082
  H        -1.0551158075        0.1225754263       -0.8259644152
       4
 i =     865, E =      -17.5484421539
  O        -1.7512372365       -0.5652997443       -0.9574269387
  H        -1.3781685161       -1.3739217738       -0.4867096703
  H        -2.5496016853       -0.2936523899       -0.4506390321
  H        -1.0637351447        0.1256150893       -0.8236681357
       4
 i =     866, E =      -17.5483788001
  O        -1.7506355087       -0.5633397755       -0.9584936991
  H        -1.3823339083       -1.3773187428       -0.4940532797
  H        -2.5645631261       -0.2922212576       -0.4492042902
  H        -1.0729152454        0.1308980263       -0.8232005022
       4
 i =     867, E =      -17.5481029072
  O        -1.7506762704       -0.5621699612       -0.9595602685
  H        -1.3851950606       -1.3801518435       -0.5028676608
  H        -2.5789818573       -0.2918825654       -0.4483491421
  H        -1.0823307265        0.1368223714       -0.8254117776
       4
 i =     868, E =      -17.5478714523
  O        -1.7512893910       -0.5610382502       -0.9604570434
  H        -1.3844683181       -1.3860426155       -0.5129382303
  H        -2.5915143542       -0.2920106548       -0.4519380072
  H        -1.0881003564        0.1436075819       -0.8259668456
       4
 i =     869, E =      -17.5476610762
  O        -1.7522052929       -0.5590987869       -0.9604082051
  H        -1.3823626093       -1.3923477621       -0.5256598665
  H        -2.6047063711       -0.2909351277       -0.4574834698
  H        -1.0888627476        0.1561097054       -0.8272895263
       4
 i =     870, E =      -17.5474641409
  O        -1.7532831081       -0.5566903570       -0.9595103124
  H        -1.3850061799       -1.4007211659       -0.5363480031
  H        -2.6125475673       -0.2883268907       -0.4639062168
  H        -1.0902419651        0.1677903956       -0.8286629709
       4
 i =     871, E =      -17.5474695924
  O        -1.7560909453       -0.5546536752       -0.9594105853
  H        -1.3864059749       -1.4050575818       -0.5489602513
  H        -2.6163432804       -0.2869808895       -0.4723079562
  H        -1.0912577296        0.1805695746       -0.8275919004
       4
 i =     872, E =      -17.5477104878
  O        -1.7591577442       -0.5531535817       -0.9596515163
  H        -1.3881638027       -1.4065374301       -0.5616986225
  H        -2.6184293251       -0.2854077659       -0.4821948051
  H        -1.0942980753        0.1917151231       -0.8293252304
       4
 i =     873, E =      -17.5480229885
  O        -1.7612589376       -0.5506252729       -0.9590751314
  H        -1.3940365285       -1.4068527532       -0.5758771512
  H        -2.6190891810       -0.2861494252       -0.4938701414
  H        -1.0978329835        0.2020649701       -0.8302346974
       4
 i =     874, E =      -17.5483300022
  O        -1.7634672784       -0.5483461063       -0.9583035994
  H        -1.3973814562       -1.4067262574       -0.5883258932
  H        -2.6156088596       -0.2895359876       -0.5075516255
  H        -1.1012580168        0.2108210551       -0.8284475638
       4
 i =     875, E =      -17.5483542263
  O        -1.7654704345       -0.5468791311       -0.9573722514
  H        -1.4006054738       -1.4090279398       -0.5976429939
  H        -2.6115280198       -0.2938230783       -0.5232225605
  H        -1.1041200359        0.2155115148       -0.8234234127
       4
 i =     876, E =      -17.5480362974
  O        -1.7675485289       -0.5459660171       -0.9569752820
  H        -1.4023824734       -1.4087935881       -0.6086322737
  H        -2.6071769703       -0.2991648668       -0.5391605436
  H        -1.1096026322        0.2223022471       -0.8209063698
       4
 i =     877, E =      -17.5478173448
  O        -1.7689916460       -0.5444791970       -0.9571089225
  H        -1.4057083280       -1.4081832604       -0.6194984321
  H        -2.6026576592       -0.3051049559       -0.5555688584
  H        -1.1172518480        0.2224608646       -0.8214202238
       4
 i =     878, E =      -17.5474462889
  O        -1.7712940625       -0.5427212851       -0.9576284088
  H        -1.4112812719       -1.4054264358       -0.6289357534
  H        -2.6021210867       -0.3136233311       -0.5731381426
  H        -1.1279727032        0.2198645960       -0.8228652315
       4
 i =     879, E =      -17.5474584845
  O        -1.7736565665       -0.5414964084       -0.9582783208
  H        -1.4132163140       -1.4020780486       -0.6391348779
  H        -2.6092261798       -0.3192104567       -0.5881581909
  H        -1.1392455562        0.2187516275       -0.8263192846
       4
 i =     880, E =      -17.5481554949
  O        -1.7759254282       -0.5410074228       -0.9593902027
  H        -1.4178106349       -1.3956872386       -0.6491437333
  H        -2.6245329817       -0.3259723869       -0.6003418698
  H        -1.1517563309        0.2164471637       -0.8359534188
       4
 i =     881, E =      -17.5486686230
  O        -1.7776329082       -0.5401523227       -0.9596744909
  H        -1.4173173990       -1.3867156351       -0.6598527909
  H        -2.6416481335       -0.3290005817       -0.6145275838
  H        -1.1622207813        0.2154697391       -0.8495057733
       4
 i =     882, E =      -17.5490821762
  O        -1.7781617760       -0.5406482788       -0.9591392648
  H        -1.4137431247       -1.3802093749       -0.6708902870
  H        -2.6629095919       -0.3310189630       -0.6259998186
  H        -1.1728328440        0.2153110421       -0.8611137442
       4
 i =     883, E =      -17.5488714171
  O        -1.7781550740       -0.5419680861       -0.9586703497
  H        -1.4080253102       -1.3762475318       -0.6794877310
  H        -2.6858579381       -0.3297465108       -0.6364637537
  H        -1.1860799449        0.2112966195       -0.8682721735
       4
 i =     884, E =      -17.5482873183
  O        -1.7793169625       -0.5426440433       -0.9586590986
  H        -1.4014912545       -1.3740904559       -0.6862122463
  H        -2.7083975074       -0.3305347251       -0.6487474211
  H        -1.1968259627        0.2074106923       -0.8740629813
       4
 i =     885, E =      -17.5476958143
  O        -1.7809719391       -0.5434925108       -0.9586551852
  H        -1.3975414297       -1.3751300155       -0.6942040012
  H        -2.7281317701       -0.3326672281       -0.6588080481
  H        -1.2056887572        0.2094543700       -0.8795345410
       4
 i =     886, E =      -17.5474904208
  O        -1.7827244602       -0.5449424235       -0.9591471140
  H        -1.3936785139       -1.3776685881       -0.6995584512
  H        -2.7462097815       -0.3349451076       -0.6694681890
  H        -1.2089317214        0.2162774370       -0.8856220633
       4
 i =     887, E =      -17.5475020596
  O        -1.7847311452       -0.5463703136       -0.9589582299
  H        -1.3892672100       -1.3829276503       -0.7050883657
  H        -2.7606706189       -0.3375922668       -0.6839701220
  H        -1.2089317063        0.2256883564       -0.8958956384
       4
 i =     888, E =      -17.5477898855
  O        -1.7873412255       -0.5474274183       -0.9589099244
  H        -1.3793686257       -1.3925986622       -0.7098226513
  H        -2.7678852609       -0.3419339903       -0.6982759889
  H        -1.2083088066        0.2371455233       -0.9038367661
       4
 i =     889, E =      -17.5479209017
  O        -1.7906858248       -0.5491291195       -0.9576449483
  H        -1.3713676468       -1.4031769852       -0.7108811518
  H        -2.7712546545       -0.3497151288       -0.7110873990
  H        -1.2072557155        0.2484657843       -0.9101042334
       4
 i =     890, E =      -17.5478792741
  O        -1.7944175655       -0.5507969899       -0.9554185931
  H        -1.3654602552       -1.4112446660       -0.7118661606
  H        -2.7717204772       -0.3609213953       -0.7254937678
  H        -1.2054138882        0.2612500416       -0.9159950884
       4
 i =     891, E =      -17.5479378773
  O        -1.7983257026       -0.5519191281       -0.9539643491
  H        -1.3623035858       -1.4187712087       -0.7126132235
  H        -2.7686382909       -0.3714349848       -0.7382639027
  H        -1.2104506899        0.2686212628       -0.9180051547
       4
 i =     892, E =      -17.5479516204
  O        -1.8003644849       -0.5530289075       -0.9527606364
  H        -1.3606891001       -1.4228154119       -0.7141698719
  H        -2.7617459964       -0.3818507636       -0.7521666330
  H        -1.2127912847        0.2766110951       -0.9204445334
       4
 i =     893, E =      -17.5475584828
  O        -1.8029328539       -0.5536195800       -0.9524678052
  H        -1.3613011936       -1.4289132650       -0.7197343803
  H        -2.7565698588       -0.3930055491       -0.7643339293
  H        -1.2140132410        0.2853283799       -0.9214751935
       4
 i =     894, E =      -17.5472412729
  O        -1.8055317363       -0.5536770267       -0.9520933730
  H        -1.3655620781       -1.4334658275       -0.7218998842
  H        -2.7519149292       -0.4036724835       -0.7728682520
  H        -1.2136887751        0.2882817998       -0.9219153456
       4
 i =     895, E =      -17.5472651696
  O        -1.8069039636       -0.5532641010       -0.9510772902
  H        -1.3691792415       -1.4342592460       -0.7243559676
  H        -2.7456557733       -0.4175746040       -0.7804882114
  H        -1.2185221926        0.2870123438       -0.9158224505
       4
 i =     896, E =      -17.5475223326
  O        -1.8077210638       -0.5522515877       -0.9495697308
  H        -1.3732341027       -1.4353663115       -0.7247556350
  H        -2.7401184268       -0.4271467722       -0.7857521684
  H        -1.2276442194        0.2815896880       -0.9137954507
       4
 i =     897, E =      -17.5476603790
  O        -1.8087285552       -0.5502795126       -0.9473286542
  H        -1.3747522684       -1.4363746545       -0.7285291370
  H        -2.7372788092       -0.4371533947       -0.7915550873
  H        -1.2396536072        0.2717630062       -0.9103076482
       4
 i =     898, E =      -17.5479557299
  O        -1.8095678678       -0.5483933315       -0.9459108083
  H        -1.3768119100       -1.4345062822       -0.7333451748
  H        -2.7414153143       -0.4472742753       -0.7983818136
  H        -1.2510996871        0.2607375124       -0.9066952834
       4
 i =     899, E =      -17.5478681188
  O        -1.8108276571       -0.5469011956       -0.9447084811
  H        -1.3782175809       -1.4379914744       -0.7364684215
  H        -2.7514006710       -0.4547711616       -0.8102823113
  H        -1.2587144267        0.2504813371       -0.9043647083
       4
 i =     900, E =      -17.5479074061
  O        -1.8120250962       -0.5453118404       -0.9437788833
  H        -1.3796990623       -1.4389676613       -0.7394278847
  H        -2.7705471492       -0.4614120585       -0.8187996357
  H        -1.2640519148        0.2421699673       -0.8988805488
       4
 i =     901, E =      -17.5477958870
  O        -1.8126434375       -0.5434122424       -0.9425723848
  H        -1.3835323262       -1.4337915328       -0.7456833942
  H        -2.7907437164       -0.4707034412       -0.8283414937
  H        -1.2649965352        0.2376109530       -0.8970282549
       4
 i =     902, E =      -17.5472342322
  O        -1.8148136095       -0.5414278118       -0.9421826853
  H        -1.3898650856       -1.4272814297       -0.7513767933
  H        -2.8068009145       -0.4796516459       -0.8347018136
  H        -1.2673361359        0.2343873360       -0.8961999992
       4
 i =     903, E =      -17.5469100105
  O        -1.8169432817       -0.5394949178       -0.9426814715
  H        -1.3987680972       -1.4190007379       -0.7584955865
  H        -2.8183705825       -0.4896829679       -0.8411356735
  H        -1.2665556950        0.2360859278       -0.8934094549
       4
 i =     904, E =      -17.5468613419
  O        -1.8192246314       -0.5376394820       -0.9433946425
  H        -1.4058985330       -1.4081569511       -0.7677667337
  H        -2.8231654768       -0.4954105721       -0.8460386590
  H        -1.2672860411        0.2413243303       -0.8912166224
       4
 i =     905, E =      -17.5468895329
  O        -1.8211939292       -0.5365156238       -0.9444739144
  H        -1.4107906446       -1.3994665027       -0.7781167770
  H        -2.8257419158       -0.5039928411       -0.8488144124
  H        -1.2608396603        0.2486896072       -0.8894095134
       4
 i =     906, E =      -17.5469424917
  O        -1.8236213813       -0.5358744693       -0.9449256692
  H        -1.4131312820       -1.3919511421       -0.7892946132
  H        -2.8261361081       -0.5099884757       -0.8557331474
  H        -1.2603253679        0.2585039289       -0.8872034248
       4
 i =     907, E =      -17.5469743479
  O        -1.8259560851       -0.5357568697       -0.9452752657
  H        -1.4166224069       -1.3868788961       -0.8019701885
  H        -2.8284443742       -0.5126732673       -0.8624344003
  H        -1.2589560303        0.2682755426       -0.8823095722
       4
 i =     908, E =      -17.5468045603
  O        -1.8280525254       -0.5363653611       -0.9446238425
  H        -1.4204609943       -1.3829279651       -0.8141736240
  H        -2.8316778825       -0.5122446915       -0.8680573056
  H        -1.2598778075        0.2776357809       -0.8746470469
       4
 i =     909, E =      -17.5465867427
  O        -1.8312586397       -0.5363737216       -0.9442156656
  H        -1.4231016094       -1.3812434390       -0.8254718790
  H        -2.8320810904       -0.5115290774       -0.8746125190
  H        -1.2596269526        0.2860065380       -0.8656892174
       4
 i =     910, E =      -17.5463800606
  O        -1.8355797191       -0.5364555788       -0.9438037005
  H        -1.4266643931       -1.3830171676       -0.8334470303
  H        -2.8281924631       -0.5107064508       -0.8797758567
  H        -1.2652630251        0.2965628256       -0.8545351235
       4
 i =     911, E =      -17.5463867444
  O        -1.8394710590       -0.5378830047       -0.9425062978
  H        -1.4253363609       -1.3864210986       -0.8411982965
  H        -2.8266300970       -0.5114673389       -0.8855982496
  H        -1.2749076602        0.3054433841       -0.8454953335
       4
 i =     912, E =      -17.5463740994
  O        -1.8435411333       -0.5391156456       -0.9407747934
  H        -1.4260789946       -1.3887035721       -0.8468156733
  H        -2.8242764730       -0.5079074075       -0.8886628198
  H        -1.2861052939        0.3139658234       -0.8403604271
       4
 i =     913, E =      -17.5464184396
  O        -1.8470023095       -0.5399530861       -0.9395071584
  H        -1.4247441980       -1.3898751544       -0.8536028235
  H        -2.8231330609       -0.5068970092       -0.8931790348
  H        -1.3008848322        0.3193435434       -0.8319152407
       4
 i =     914, E =      -17.5470574901
  O        -1.8503417167       -0.5398728355       -0.9380399872
  H        -1.4198329224       -1.3905512516       -0.8581921681
  H        -2.8233770719       -0.5051003696       -0.8990690254
  H        -1.3200551772        0.3173225405       -0.8243652344
       4
 i =     915, E =      -17.5475902936
  O        -1.8531024191       -0.5396040332       -0.9366100695
  H        -1.4145395391       -1.3946509796       -0.8611243259
  H        -2.8243246614       -0.5073159434       -0.9064053913
  H        -1.3412667168        0.3128689973       -0.8164401139
       4
 i =     916, E =      -17.5479756553
  O        -1.8546929041       -0.5399574936       -0.9351780443
  H        -1.4118466563       -1.3979417159       -0.8630353715
  H        -2.8295997632       -0.5077728518       -0.9124167475
  H        -1.3634731209        0.3073901426       -0.8098706660
       4
 i =     917, E =      -17.5483031124
  O        -1.8549543395       -0.5399391772       -0.9356322115
  H        -1.4106470818       -1.3984981058       -0.8658573641
  H        -2.8363017100       -0.5074191367       -0.9178080763
  H        -1.3889218057        0.3047579679       -0.8019910394
       4
 i =     918, E =      -17.5483183100
  O        -1.8549083537       -0.5408950056       -0.9358401405
  H        -1.4093354525       -1.3960562911       -0.8684695651
  H        -2.8454676289       -0.5035905844       -0.9224554984
  H        -1.4115614319        0.3018124184       -0.7941243457
       4
 i =     919, E =      -17.5480048057
  O        -1.8551126018       -0.5414177433       -0.9369494389
  H        -1.4067427608       -1.3909307667       -0.8736080564
  H        -2.8580055080       -0.4975445370       -0.9240162189
  H        -1.4324410452        0.3026520966       -0.7865767237
       4
 i =     920, E =      -17.5473653091
  O        -1.8559372257       -0.5427261331       -0.9382474706
  H        -1.4032610399       -1.3884807338       -0.8798991197
  H        -2.8652766626       -0.4920185882       -0.9246191367
  H        -1.4521579585        0.3021763903       -0.7787111877
       4
 i =     921, E =      -17.5471609065
  O        -1.8571246618       -0.5438295875       -0.9402750957
  H        -1.4029797272       -1.3866038157       -0.8888651333
  H        -2.8707433579       -0.4879493260       -0.9279361629
  H        -1.4650351553        0.3031822566       -0.7670725018
       4
 i =     922, E =      -17.5471926086
  O        -1.8582107333       -0.5447755028       -0.9424263876
  H        -1.4017924369       -1.3822117459       -0.8922377905
  H        -2.8770348342       -0.4865366025       -0.9334938644
  H        -1.4721660031        0.3036944923       -0.7525803134
       4
 i =     923, E =      -17.5472513186
  O        -1.8596923394       -0.5457790550       -0.9434786807
  H        -1.4049496632       -1.3757141366       -0.8939736269
  H        -2.8831956443       -0.4847744371       -0.9345519202
  H        -1.4771008917        0.3088357146       -0.7365736778
       4
 i =     924, E =      -17.5474507521
  O        -1.8617657449       -0.5479079240       -0.9443303981
  H        -1.4080314595       -1.3696906763       -0.8984405253
  H        -2.8833058761       -0.4827617900       -0.9396132255
  H        -1.4808571239        0.3122496964       -0.7187167439
       4
 i =     925, E =      -17.5479928692
  O        -1.8638808212       -0.5490231096       -0.9459206696
  H        -1.4127692873       -1.3651705188       -0.9040006901
  H        -2.8760576789       -0.4835805652       -0.9479496719
  H        -1.4826356423        0.3114908900       -0.6971256005
       4
 i =     926, E =      -17.5487269975
  O        -1.8662297901       -0.5495768422       -0.9470539751
  H        -1.4198747597       -1.3679971354       -0.9078421746
  H        -2.8676739372       -0.4887136052       -0.9580226462
  H        -1.4860050558        0.3129197864       -0.6764541275
       4
 i =     927, E =      -17.5493934047
  O        -1.8689089047       -0.5497798605       -0.9488996526
  H        -1.4248561972       -1.3736814040       -0.9127411808
  H        -2.8632744336       -0.4977232705       -0.9719215888
  H        -1.4912856790        0.3128216059       -0.6579395664
       4
 i =     928, E =      -17.5496616131
  O        -1.8713202172       -0.5497874318       -0.9501300404
  H        -1.4329608397       -1.3846173305       -0.9205518736
  H        -2.8610023582       -0.5068863966       -0.9817757345
  H        -1.5001810349        0.3139469219       -0.6340966853
       4
 i =     929, E =      -17.5495794137
  O        -1.8741826098       -0.5500839348       -0.9512168400
  H        -1.4399392505       -1.3943438855       -0.9317467975
  H        -2.8549512743       -0.5170033240       -0.9900748627
  H        -1.5090940547        0.3127468495       -0.6132725747
       4
 i =     930, E =      -17.5491577511
  O        -1.8771906378       -0.5498947967       -0.9525313443
  H        -1.4439178535       -1.4030562744       -0.9382140574
  H        -2.8460131526       -0.5271661595       -1.0032495955
  H        -1.5186600517        0.3126277374       -0.5936773855
       4
 i =     931, E =      -17.5488994175
  O        -1.8790543516       -0.5494456651       -0.9550735322
  H        -1.4501190243       -1.4069529122       -0.9433477663
  H        -2.8437240481       -0.5373901971       -1.0134874047
  H        -1.5274364080        0.3099579174       -0.5734423310
       4
 i =     932, E =      -17.5486704152
  O        -1.8810186855       -0.5490817151       -0.9570316708
  H        -1.4586363604       -1.4129342323       -0.9512492922
  H        -2.8434507720       -0.5471960798       -1.0247579703
  H        -1.5340939506        0.3041058455       -0.5593878922
       4
 i =     933, E =      -17.5489043581
  O        -1.8820867575       -0.5483439741       -0.9579746813
  H        -1.4673101331       -1.4169338037       -0.9602423023
  H        -2.8468641190       -0.5543611066       -1.0344646608
  H        -1.5437138905        0.2902060853       -0.5474029625
       4
 i =     934, E =      -17.5490162283
  O        -1.8825715532       -0.5463729134       -0.9601464363
  H        -1.4746174471       -1.4191454192       -0.9683323331
  H        -2.8538510396       -0.5633376570       -1.0441149041
  H        -1.5522360477        0.2775819869       -0.5327387819
       4
 i =     935, E =      -17.5490413415
  O        -1.8837204499       -0.5445140467       -0.9619801697
  H        -1.4823623356       -1.4210282738       -0.9744539122
  H        -2.8621320075       -0.5711577038       -1.0552918383
  H        -1.5579745986        0.2626733049       -0.5200216167
       4
 i =     936, E =      -17.5488716489
  O        -1.8844181449       -0.5420842770       -0.9639589179
  H        -1.4895596654       -1.4194316303       -0.9775291200
  H        -2.8732904703       -0.5752733269       -1.0663722704
  H        -1.5613635994        0.2473728468       -0.5081231930
       4
 i =     937, E =      -17.5485688907
  O        -1.8847459694       -0.5399823337       -0.9661518610
  H        -1.4942041841       -1.4150014606       -0.9783956274
  H        -2.8862271716       -0.5770451742       -1.0764645661
  H        -1.5630555482        0.2321999834       -0.4965513738
       4
 i =     938, E =      -17.5483785456
  O        -1.8855520607       -0.5381161251       -0.9681188431
  H        -1.4988903316       -1.4079075920       -0.9775340563
  H        -2.8949384067       -0.5763212578       -1.0873051322
  H        -1.5657911274        0.2205300347       -0.4816116555
       4
 i =     939, E =      -17.5484025337
  O        -1.8867615569       -0.5370713374       -0.9696933612
  H        -1.4968931727       -1.3966418631       -0.9821633023
  H        -2.9029483407       -0.5798168182       -1.0991802898
  H        -1.5648847619        0.2102616789       -0.4637962013
       4
 i =     940, E =      -17.5489450166
  O        -1.8893669758       -0.5363391087       -0.9711266066
  H        -1.4935302034       -1.3836052672       -0.9844568533
  H        -2.9046663290       -0.5803307395       -1.1096718321
  H        -1.5616140485        0.2018896527       -0.4420045726
       4
 i =     941, E =      -17.5492734822
  O        -1.8921054421       -0.5354103723       -0.9722144658
  H        -1.4899472948       -1.3693049131       -0.9839115454
  H        -2.9049646601       -0.5843678998       -1.1186006192
  H        -1.5616174286        0.1893145938       -0.4181538434
       4
 i =     942, E =      -17.5495038129
  O        -1.8946643783       -0.5342764809       -0.9732423105
  H        -1.4883854778       -1.3554903001       -0.9798415914
  H        -2.9011011279       -0.5852412064       -1.1267869450
  H        -1.5583131265        0.1765581421       -0.3942830984
       4
 i =     943, E =      -17.5492510865
  O        -1.8971151795       -0.5334600808       -0.9742043944
  H        -1.4845804556       -1.3432727460       -0.9759254367
  H        -2.8969382191       -0.5853837649       -1.1362546463
  H        -1.5514359834        0.1650979579       -0.3726980548
       4
 i =     944, E =      -17.5488935045
  O        -1.8996910285       -0.5327842317       -0.9753103076
  H        -1.4812408951       -1.3339757479       -0.9699022589
  H        -2.8897971950       -0.5867481706       -1.1452313595
  H        -1.5476264447        0.1529712745       -0.3552931328
       4
 i =     945, E =      -17.5487598473
  O        -1.9020746859       -0.5322409989       -0.9768697321
  H        -1.4767709075       -1.3303766935       -0.9655656893
  H        -2.8789812252       -0.5848212717       -1.1539691756
  H        -1.5442172463        0.1368529931       -0.3380919882
       4
 i =     946, E =      -17.5486328075
  O        -1.9040832483       -0.5319268876       -0.9775515074
  H        -1.4699888813       -1.3314306688       -0.9605544363
  H        -2.8666299224       -0.5838919555       -1.1612947153
  H        -1.5413485601        0.1257068585       -0.3259039220
       4
 i =     947, E =      -17.5484515335
  O        -1.9058504228       -0.5308103221       -0.9788610614
  H        -1.4607331599       -1.3335390739       -0.9513105874
  H        -2.8546165587       -0.5837332013       -1.1682907885
  H        -1.5445864585        0.1125373770       -0.3187393918
       4
 i =     948, E =      -17.5481295380
  O        -1.9079075145       -0.5294211376       -0.9800843101
  H        -1.4533586884       -1.3359320276       -0.9469711616
  H        -2.8476004172       -0.5804085839       -1.1763428582
  H        -1.5506004707        0.0970942542       -0.3119023943
       4
 i =     949, E =      -17.5474510447
  O        -1.9102162432       -0.5285144149       -0.9805719040
  H        -1.4430462112       -1.3403044214       -0.9453291328
  H        -2.8393662359       -0.5804036043       -1.1842895778
  H        -1.5568578882        0.0848656471       -0.3075423552
       4
 i =     950, E =      -17.5468917639
  O        -1.9119919579       -0.5275820512       -0.9802499868
  H        -1.4323207581       -1.3495749706       -0.9457196770
  H        -2.8340404943       -0.5819516795       -1.1908689398
  H        -1.5689013689        0.0747366632       -0.3028765917
       4
 i =     951, E =      -17.5464842582
  O        -1.9135466732       -0.5264075437       -0.9796074892
  H        -1.4234734664       -1.3600569249       -0.9493008663
  H        -2.8334298562       -0.5828747749       -1.1916217944
  H        -1.5844064409        0.0620470917       -0.2997776238
       4
 i =     952, E =      -17.5462713084
  O        -1.9139812274       -0.5260192554       -0.9789343484
  H        -1.4138985103       -1.3696929306       -0.9543866589
  H        -2.8383147462       -0.5845895340       -1.1933015978
  H        -1.6033394917        0.0507763751       -0.2949213423
       4
 i =     953, E =      -17.5461798978
  O        -1.9138642860       -0.5261978177       -0.9781032195
  H        -1.4082618365       -1.3769588254       -0.9561869385
  H        -2.8431407674       -0.5834139455       -1.1944566928
  H        -1.6221424662        0.0434632094       -0.2901941317
       4
 i =     954, E =      -17.5467337051
  O        -1.9135046409       -0.5275426467       -0.9780379241
  H        -1.4051337054       -1.3828117185       -0.9547613768
  H        -2.8532917077       -0.5856340145       -1.1960093849
  H        -1.6396056046        0.0428231117       -0.2819545996
       4
 i =     955, E =      -17.5474762564
  O        -1.9134413857       -0.5297705535       -0.9785991386
  H        -1.4050512071       -1.3838186879       -0.9554037595
  H        -2.8664653019       -0.5843925375       -1.1970750698
  H        -1.6573785889        0.0418275011       -0.2739937940
       4
 i =     956, E =      -17.5483440376
  O        -1.9134980528       -0.5321305316       -0.9796960297
  H        -1.4099689189       -1.3792864055       -0.9525142336
  H        -2.8799993461       -0.5843625769       -1.1995489896
  H        -1.6733525046        0.0422368630       -0.2653693508
       4
 i =     957, E =      -17.5489624250
  O        -1.9129246804       -0.5346886838       -0.9804413961
  H        -1.4201260971       -1.3735770896       -0.9487232264
  H        -2.8962580686       -0.5868040980       -1.1997668499
  H        -1.6885292995        0.0455732651       -0.2569203281
       4
 i =     958, E =      -17.5491344426
  O        -1.9123765245       -0.5370953478       -0.9817059066
  H        -1.4313008751       -1.3634315184       -0.9462000043
  H        -2.9097312156       -0.5875493535       -1.1957110537
  H        -1.7061587768        0.0492115085       -0.2468226991
       4
 i =     959, E =      -17.5488297041
  O        -1.9115334436       -0.5399300111       -0.9832968828
  H        -1.4472685422       -1.3506442881       -0.9450997797
  H        -2.9160951619       -0.5868111291       -1.1922935705
  H        -1.7238050300        0.0559252059       -0.2386970220
       4
 i =     960, E =      -17.5475431918
  O        -1.9115429638       -0.5421903062       -0.9843133590
  H        -1.4623284003       -1.3350138554       -0.9451419613
  H        -2.9199941545       -0.5856512404       -1.1907319629
  H        -1.7439154808        0.0641544322       -0.2282282131
       4
 i =     961, E =      -17.5459832617
  O        -1.9120137938       -0.5443767128       -0.9848009550
  H        -1.4768825404       -1.3231403544       -0.9486470268
  H        -2.9180363998       -0.5885354340       -1.1918179463
  H        -1.7672154709        0.0679694210       -0.2206863423
       4
 i =     962, E =      -17.5447766939
  O        -1.9125947976       -0.5461135826       -0.9856866761
  H        -1.4871901271       -1.3159569195       -0.9496038996
  H        -2.9108157211       -0.5939296332       -1.1914467880
  H        -1.7881896975        0.0728045269       -0.2173447450
       4
 i =     963, E =      -17.5443928172
  O        -1.9134189778       -0.5477646242       -0.9859418649
  H        -1.4933611603       -1.3150986259       -0.9507671654
  H        -2.9026825521       -0.6010250530       -1.1882386300
  H        -1.8065180599        0.0731971878       -0.2147715962
       4
 i =     964, E =      -17.5459226554
  O        -1.9154758245       -0.5486046091       -0.9859260574
  H        -1.4971100392       -1.3252540726       -0.9541594072
  H        -2.8881853129       -0.6101211279       -1.1851332759
  H        -1.8203247587        0.0722867462       -0.2174868039
       4
 i =     965, E =      -17.5477375624
  O        -1.9181072490       -0.5492406093       -0.9857208371
  H        -1.4952832329       -1.3401656913       -0.9591031451
  H        -2.8705995839       -0.6189273774       -1.1827486927
  H        -1.8333963723        0.0687682786       -0.2206948175
       4
 i =     966, E =      -17.5489736705
  O        -1.9211122811       -0.5495259043       -0.9852975786
  H        -1.4904207522       -1.3563035997       -0.9689866025
  H        -2.8544093410       -0.6311258603       -1.1779607712
  H        -1.8441970295        0.0651011839       -0.2298763797
       4
 i =     967, E =      -17.5494294413
  O        -1.9240039967       -0.5493538036       -0.9860773661
  H        -1.4832207521       -1.3785334218       -0.9749235900
  H        -2.8430309743       -0.6425332398       -1.1754875666
  H        -1.8519484225        0.0583685553       -0.2393560705
       4
 i =     968, E =      -17.5486719911
  O        -1.9270589335       -0.5480120548       -0.9863768995
  H        -1.4746518799       -1.3996441327       -0.9817735322
  H        -2.8338923342       -0.6546618719       -1.1744083050
  H        -1.8586570112        0.0527988509       -0.2513529343
       4
 i =     969, E =      -17.5474549664
  O        -1.9294384752       -0.5472591054       -0.9862851553
  H        -1.4642379666       -1.4189266855       -0.9853743083
  H        -2.8312338103       -0.6649613080       -1.1767111643
  H        -1.8648981841        0.0486821299       -0.2637803549
       4
 i =     970, E =      -17.5464375394
  O        -1.9319735998       -0.5458319497       -0.9857096995
  H        -1.4528437246       -1.4362594895       -0.9917536754
  H        -2.8364883504       -0.6796939934       -1.1813617664
  H        -1.8685151320        0.0476846451       -0.2707883260
       4
 i =     971, E =      -17.5457052083
  O        -1.9344156671       -0.5449628825       -0.9850916700
  H        -1.4396162035       -1.4494248907       -0.9988607373
  H        -2.8472721738       -0.6919619837       -1.1862622972
  H        -1.8709709954        0.0515568343       -0.2749839918
       4
 i =     972, E =      -17.5456604519
  O        -1.9356453250       -0.5442253690       -0.9852971489
  H        -1.4313834497       -1.4558108882       -1.0060377107
  H        -2.8644031968       -0.7084263033       -1.1946821121
  H        -1.8767248390        0.0589452413       -0.2750349763
       4
 i =     973, E =      -17.5457764348
  O        -1.9368891966       -0.5441596550       -0.9863785568
  H        -1.4255312066       -1.4555144807       -1.0123379781
  H        -2.8806133538       -0.7207591112       -1.2004477395
  H        -1.8771371165        0.0672055601       -0.2717773629
       4
 i =     974, E =      -17.5457737910
  O        -1.9377848399       -0.5446925293       -0.9867094783
  H        -1.4220977883       -1.4524013252       -1.0161094564
  H        -2.8958153738       -0.7297815155       -1.2031801192
  H        -1.8760107078        0.0786156797       -0.2690527604
       4
 i =     975, E =      -17.5462544243
  O        -1.9388820220       -0.5453273230       -0.9869270980
  H        -1.4213764141       -1.4429321597       -1.0146898266
  H        -2.9086365803       -0.7380700455       -1.2046042633
  H        -1.8759244634        0.0862134885       -0.2636013899
       4
 i =     976, E =      -17.5467459668
  O        -1.9411547850       -0.5457618807       -0.9869614188
  H        -1.4211175084       -1.4307078196       -1.0129172947
  H        -2.9174973713       -0.7496539021       -1.2055567771
  H        -1.8737874187        0.0925517181       -0.2583357917
       4
 i =     977, E =      -17.5474166677
  O        -1.9432028122       -0.5461280340       -0.9869899167
  H        -1.4210134123       -1.4122727605       -1.0078982932
  H        -2.9283897893       -0.7605630560       -1.2024563439
  H        -1.8714759360        0.0949776250       -0.2538720169
       4
 i =     978, E =      -17.5482209455
  O        -1.9453501385       -0.5465866350       -0.9866786546
  H        -1.4262453789       -1.3902072055       -1.0045622896
  H        -2.9361319160       -0.7729315152       -1.1984848619
  H        -1.8677531853        0.0943288892       -0.2512244574
       4
 i =     979, E =      -17.5490821158
  O        -1.9484083988       -0.5475101072       -0.9866545743
  H        -1.4326964100       -1.3732296252       -1.0068967824
  H        -2.9347726282       -0.7814268504       -1.1922359923
  H        -1.8649427200        0.0912811695       -0.2477643139
       4
 i =     980, E =      -17.5497783111
  O        -1.9522926906       -0.5482404937       -0.9873848016
  H        -1.4372771232       -1.3542530846       -1.0064393562
  H        -2.9310242240       -0.7886198735       -1.1834662248
  H        -1.8588958827        0.0870987743       -0.2453483311
       4
 i =     981, E =      -17.5502181730
  O        -1.9563292977       -0.5485251255       -0.9883154148
  H        -1.4410545584       -1.3331878318       -1.0071466027
  H        -2.9196291643       -0.7965364764       -1.1698788802
  H        -1.8584823095        0.0835293337       -0.2444151160
       4
 i =     982, E =      -17.5500830359
  O        -1.9606391036       -0.5504199984       -0.9900809349
  H        -1.4390663546       -1.3136496324       -1.0107793550
  H        -2.9086667971       -0.8006659789       -1.1588107426
  H        -1.8576982704        0.0788792103       -0.2432802219
       4
 i =     983, E =      -17.5500528426
  O        -1.9646464828       -0.5517053045       -0.9915699600
  H        -1.4323138162       -1.2996459967       -1.0165167132
  H        -2.8987620169       -0.8006618277       -1.1452029288
  H        -1.8570608608        0.0751872865       -0.2473497224
       4
 i =     984, E =      -17.5500040088
  O        -1.9684713826       -0.5529169103       -0.9935570411
  H        -1.4253459558       -1.2903557525       -1.0228726281
  H        -2.8925218940       -0.8014598250       -1.1327466268
  H        -1.8577392967        0.0723451663       -0.2550024766
       4
 i =     985, E =      -17.5502130659
  O        -1.9728383159       -0.5541649811       -0.9956822582
  H        -1.4139703870       -1.2845595603       -1.0335093648
  H        -2.8862682816       -0.8045725009       -1.1214752787
  H        -1.8577982196        0.0655046994       -0.2617001707
       4
 i =     986, E =      -17.5507419438
  O        -1.9763436476       -0.5552274872       -0.9978776639
  H        -1.3988378307       -1.2843814067       -1.0451676408
  H        -2.8821148214       -0.8046584752       -1.1124031631
  H        -1.8595047974        0.0572767015       -0.2678138132
       4
 i =     987, E =      -17.5513303256
  O        -1.9800736957       -0.5558149111       -0.9995597951
  H        -1.3847643655       -1.2873960484       -1.0592384360
  H        -2.8826494381       -0.8097012378       -1.1055099163
  H        -1.8598196220        0.0428489585       -0.2742460613
       4
 i =     988, E =      -17.5515646237
  O        -1.9830081773       -0.5568481933       -1.0007197974
  H        -1.3671593231       -1.2954988323       -1.0710866461
  H        -2.8843805894       -0.8134475807       -1.0976433426
  H        -1.8599595667        0.0289418559       -0.2801932289
       4
 i =     989, E =      -17.5512712127
  O        -1.9853883274       -0.5585310024       -1.0019525990
  H        -1.3474496866       -1.3021843104       -1.0831848900
  H        -2.8905574749       -0.8198879865       -1.0944377145
  H        -1.8620201090        0.0134607974       -0.2877786558
       4
 i =     990, E =      -17.5509071777
  O        -1.9864557528       -0.5595751056       -1.0047037729
  H        -1.3302290684       -1.3080693058       -1.0965497172
  H        -2.9012518144       -0.8302091966       -1.0935616807
  H        -1.8657391062        0.0019885178       -0.2918945300
       4
 i =     991, E =      -17.5503069249
  O        -1.9868911101       -0.5616038510       -1.0081878779
  H        -1.3165562007       -1.3159409060       -1.1105632145
  H        -2.9131764014       -0.8383085893       -1.0944943396
  H        -1.8728579340       -0.0034675779       -0.2960695835
       4
 i =     992, E =      -17.5502596698
  O        -1.9875137904       -0.5642038538       -1.0118892713
  H        -1.3058516224       -1.3229366655       -1.1192814683
  H        -2.9276549060       -0.8463264228       -1.0984404434
  H        -1.8778346982       -0.0021801713       -0.2922760219
       4
 i =     993, E =      -17.5500335062
  O        -1.9883877931       -0.5675845119       -1.0160263452
  H        -1.2963185112       -1.3281012818       -1.1281255618
  H        -2.9437791892       -0.8542504735       -1.1021003978
  H        -1.8805381746        0.0004659560       -0.2849992541
       4
 i =     994, E =      -17.5493447762
  O        -1.9887333585       -0.5709224203       -1.0194782700
  H        -1.2880543386       -1.3295439171       -1.1347103211
  H        -2.9622792436       -0.8605895668       -1.1085693658
  H        -1.8853468735        0.0058701509       -0.2723992931
       4
 i =     995, E =      -17.5485138951
  O        -1.9894513893       -0.5747538873       -1.0236886375
  H        -1.2827310192       -1.3276635103       -1.1411660505
  H        -2.9747578609       -0.8654372997       -1.1168480480
  H        -1.8923738349        0.0139247607       -0.2594943125
       4
 i =     996, E =      -17.5480637974
  O        -1.9903857805       -0.5775989736       -1.0278171175
  H        -1.2807693490       -1.3226616753       -1.1450587476
  H        -2.9800986692       -0.8710228591       -1.1265803964
  H        -1.8973306566        0.0199605888       -0.2532310719
       4
 i =     997, E =      -17.5481661309
  O        -1.9915651926       -0.5804390771       -1.0307837228
  H        -1.2774267092       -1.3146371738       -1.1478741825
  H        -2.9780499742       -0.8753025587       -1.1294012358
  H        -1.9008737975        0.0230024343       -0.2478485185
       4
 i =     998, E =      -17.5487026922
  O        -1.9931159549       -0.5834495194       -1.0339402736
  H        -1.2774608622       -1.3063331333       -1.1479553763
  H        -2.9707618880       -0.8838981337       -1.1305834979
  H        -1.9061308932        0.0247906279       -0.2426029997
       4
 i =     999, E =      -17.5493086647
  O        -1.9940664353       -0.5867667252       -1.0364111539
  H        -1.2801106357       -1.2934836658       -1.1456033791
  H        -2.9659878973       -0.8940735868       -1.1328799021
  H        -1.9109745792        0.0211863915       -0.2373472069
       4
 i =    1000, E =      -17.5502567208
  O        -1.9950080476       -0.5900546833       -1.0393757752
  H        -1.2819911608       -1.2788845086       -1.1403457785
  H        -2.9542168823       -0.9034055874       -1.1333436589
  H        -1.9093785820        0.0166648740       -0.2364036820
       4
 i =    1001, E =      -17.5507676509
  O        -1.9957626186       -0.5933284930       -1.0423905310
  H        -1.2889605095       -1.2662166568       -1.1323839445
  H        -2.9402038454       -0.9107281977       -1.1342233577
  H        -1.9080217342        0.0143452270       -0.2363583252
       4
 i =    1002, E =      -17.5506249477
  O        -1.9976989904       -0.5963781324       -1.0458287548
  H        -1.2959373203       -1.2517021998       -1.1221942634
  H        -2.9264204849       -0.9143519897       -1.1335380577
  H        -1.9051259216        0.0065340120       -0.2343492779
       4
 i =    1003, E =      -17.5498537530
  O        -1.9997737605       -0.6000967507       -1.0491399558
  H        -1.3018826879       -1.2396180171       -1.1139681500
  H        -2.9071051063       -0.9190882658       -1.1338825488
  H        -1.9015176879       -0.0021274887       -0.2367065511
       4
 i =    1004, E =      -17.5491806202
  O        -2.0024966870       -0.6034779084       -1.0518630047
  H        -1.3036505123       -1.2353555875       -1.1091548214
  H        -2.8919336778       -0.9235248842       -1.1365493166
  H        -1.8990535282       -0.0121781162       -0.2422737451
       4
 i =    1005, E =      -17.5487278233
  O        -2.0059058195       -0.6063463085       -1.0542268977
  H        -1.3037325010       -1.2329123161       -1.1052279867
  H        -2.8812715240       -0.9341370717       -1.1387331224
  H        -1.8889627570       -0.0239108195       -0.2495661665
       4
 i =    1006, E =      -17.5488840115
  O        -2.0088351944       -0.6094199775       -1.0558633755
  H        -1.3013402726       -1.2343569293       -1.1039239621
  H        -2.8772039016       -0.9416451620       -1.1441246179
  H        -1.8802264803       -0.0365578394       -0.2606972131
       4
 i =    1007, E =      -17.5498171364
  O        -2.0108653428       -0.6116461204       -1.0578423815
  H        -1.2937529158       -1.2404421795       -1.1070559745
  H        -2.8785612122       -0.9498730588       -1.1517622726
  H        -1.8726050924       -0.0471387222       -0.2732262563
       4
 i =    1008, E =      -17.5508167594
  O        -2.0118611830       -0.6139627526       -1.0599516030
  H        -1.2861854438       -1.2473928805       -1.1105219431
  H        -2.8858427565       -0.9612372002       -1.1634701875
  H        -1.8638529751       -0.0598833679       -0.2847914938
       4
 i =    1009, E =      -17.5513222181
  O        -2.0129607277       -0.6157445628       -1.0624435946
  H        -1.2734982727       -1.2567297203       -1.1149954780
  H        -2.8944838426       -0.9750858953       -1.1742562065
  H        -1.8552623451       -0.0741804423       -0.2915849734
       4
 i =    1010, E =      -17.5510365515
  O        -2.0140372492       -0.6180988820       -1.0651992077
  H        -1.2622076449       -1.2683482789       -1.1206256560
  H        -2.9008108750       -0.9872860245       -1.1854433357
  H        -1.8523487300       -0.0891239698       -0.2971373499
       4
 i =    1011, E =      -17.5506078735
  O        -2.0154369431       -0.6205694018       -1.0681113143
  H        -1.2525060330       -1.2833969679       -1.1295028410
  H        -2.9119041650       -1.0034558510       -1.1986927170
  H        -1.8524863014       -0.0967591933       -0.2994796982
       4
 i =    1012, E =      -17.5497662942
  O        -2.0176489150       -0.6232969283       -1.0713820305
  H        -1.2447776899       -1.2940297751       -1.1394718114
  H        -2.9249082211       -1.0192310031       -1.2078716930
  H        -1.8553484558       -0.1025835786       -0.3005461225
       4
 i =    1013, E =      -17.5486894895
  O        -2.0200479562       -0.6253717966       -1.0740995180
  H        -1.2381062696       -1.3038318201       -1.1481894147
  H        -2.9350866588       -1.0332464818       -1.2174342927
  H        -1.8563141459       -0.1039177213       -0.2990991664
       4
 i =    1014, E =      -17.5479732712
  O        -2.0224041037       -0.6280145204       -1.0770243148
  H        -1.2378368548       -1.3156132097       -1.1610024198
  H        -2.9420686792       -1.0482830356       -1.2240286413
  H        -1.8601862220       -0.1047162774       -0.2938732467
       4
 i =    1015, E =      -17.5475619800
  O        -2.0230897481       -0.6313897463       -1.0796080360
  H        -1.2389414278       -1.3232511151       -1.1739013669
  H        -2.9467865451       -1.0632252584       -1.2280390082
  H        -1.8628244370       -0.1027685393       -0.2858494251
       4
 i =    1016, E =      -17.5479196707
  O        -2.0229260348       -0.6351041061       -1.0818772296
  H        -1.2458290485       -1.3217348598       -1.1866952090
  H        -2.9504062766       -1.0737596561       -1.2325852177
  H        -1.8701542871       -0.1027893031       -0.2794693593
       4
 i =    1017, E =      -17.5487374482
  O        -2.0235707835       -0.6379213107       -1.0833615370
  H        -1.2538184816       -1.3184208330       -1.2000588492
  H        -2.9475001912       -1.0788535046       -1.2337625498
  H        -1.8784829030       -0.1036305752       -0.2745087381
       4
 i =    1018, E =      -17.5500769194
  O        -2.0242692180       -0.6402365191       -1.0846101676
  H        -1.2662669403       -1.3077655423       -1.2131217677
  H        -2.9414046796       -1.0787235742       -1.2340812371
  H        -1.8885589708       -0.1037833671       -0.2684909168
       4
 i =    1019, E =      -17.5511413959
  O        -2.0250038348       -0.6427558862       -1.0857238667
  H        -1.2803594568       -1.2946989187       -1.2225527611
  H        -2.9342796700       -1.0767675887       -1.2342837936
  H        -1.9014485882       -0.1049362473       -0.2622601500
       4
 i =    1020, E =      -17.5514300001
  O        -2.0261479708       -0.6453017790       -1.0871344681
  H        -1.2972461959       -1.2837732061       -1.2315832630
  H        -2.9292459065       -1.0757086908       -1.2361893013
  H        -1.9168233212       -0.1064275438       -0.2571147557
       4
 i =    1021, E =      -17.5511231733
  O        -2.0270406268       -0.6472250470       -1.0880634654
  H        -1.3102658138       -1.2705060131       -1.2371401000
  H        -2.9244849478       -1.0753222701       -1.2383559980
  H        -1.9305583287       -0.1140996129       -0.2541659238
       4
 i =    1022, E =      -17.5504565674
  O        -2.0286538609       -0.6485927976       -1.0892382336
  H        -1.3218085932       -1.2592514657       -1.2408881105
  H        -2.9219259882       -1.0725362927       -1.2391093038
  H        -1.9447827690       -0.1215546651       -0.2539175914
       4
 i =    1023, E =      -17.5498191369
  O        -2.0307072195       -0.6496606232       -1.0904420088
  H        -1.3281940047       -1.2499029758       -1.2453310079
  H        -2.9194490097       -1.0670732808       -1.2387516595
  H        -1.9542892554       -0.1297231266       -0.2511331006
       4
 i =    1024, E =      -17.5497369853
  O        -2.0333246206       -0.6511640729       -1.0927880305
  H        -1.3281946604       -1.2464626567       -1.2524740759
  H        -2.9128667281       -1.0621636924       -1.2408076307
  H        -1.9684522727       -0.1384134917       -0.2467661245
       4
 i =    1025, E =      -17.5500071681
  O        -2.0364487783       -0.6525500753       -1.0944680204
  H        -1.3238340246       -1.2463970368       -1.2621310297
  H        -2.9102588477       -1.0602814246       -1.2407766085
  H        -1.9832263182       -0.1470965897       -0.2438637450
       4
 i =    1026, E =      -17.5500487290
  O        -2.0391484932       -0.6533388748       -1.0960735245
  H        -1.3177537015       -1.2469741212       -1.2735389698
  H        -2.9047675698       -1.0557719896       -1.2395504115
  H        -1.9952623107       -0.1589639940       -0.2386694148
       4
 i =    1027, E =      -17.5499548278
  O        -2.0406316179       -0.6540091564       -1.0969009833
  H        -1.3125563468       -1.2479016114       -1.2838507341
  H        -2.9012445502       -1.0528996738       -1.2424248420
  H        -2.0055937316       -0.1706512213       -0.2333117976
       4
 i =    1028, E =      -17.5500632440
  O        -2.0417196806       -0.6545454109       -1.0986675239
  H        -1.3063266910       -1.2492525626       -1.2964528541
  H        -2.9020217221       -1.0514576331       -1.2456922989
  H        -2.0153473327       -0.1826171245       -0.2283226144
       4
 i =    1029, E =      -17.5501848084
  O        -2.0431330672       -0.6549119502       -1.1014115251
  H        -1.2987510933       -1.2520643568       -1.3080402163
  H        -2.9060234003       -1.0505458543       -1.2483369043
  H        -2.0297795546       -0.1929450844       -0.2243338739
       4
 i =    1030, E =      -17.5504471906
  O        -2.0448643281       -0.6568240801       -1.1038561859
  H        -1.2907677637       -1.2507398442       -1.3197088734
  H        -2.9151800855       -1.0523703957       -1.2523182139
  H        -2.0402578288       -0.2019209698       -0.2261751075
       4
 i =    1031, E =      -17.5505623276
  O        -2.0471308215       -0.6586180087       -1.1060791564
  H        -1.2819695504       -1.2471566982       -1.3321417915
  H        -2.9263825938       -1.0569181018       -1.2557092178
  H        -2.0495355429       -0.2130851139       -0.2302476244
       4
 i =    1032, E =      -17.5505937354
  O        -2.0502268148       -0.6603321126       -1.1074362348
  H        -1.2730282580       -1.2431200404       -1.3416812996
  H        -2.9394809953       -1.0636018132       -1.2634917827
  H        -2.0574794455       -0.2268116503       -0.2308698938
       4
 i =    1033, E =      -17.5504514011
  O        -2.0531601341       -0.6623832117       -1.1091758524
  H        -1.2616730173       -1.2368824037       -1.3519328942
  H        -2.9483871079       -1.0708079474       -1.2747745583
  H        -2.0636289087       -0.2438246685       -0.2265741624
       4
 i =    1034, E =      -17.5505139485
  O        -2.0563191106       -0.6643174417       -1.1105391847
  H        -1.2513267167       -1.2271783052       -1.3565904715
  H        -2.9536509032       -1.0798005074       -1.2866687391
  H        -2.0667600340       -0.2616100568       -0.2203510830
       4
 i =    1035, E =      -17.5506639044
  O        -2.0599316030       -0.6663102833       -1.1125821811
  H        -1.2426682440       -1.2187396840       -1.3609268937
  H        -2.9545973199       -1.0876630621       -1.2973924654
  H        -2.0649997078       -0.2785424813       -0.2144761028
       4
 i =    1036, E =      -17.5509217192
  O        -2.0634936377       -0.6682658932       -1.1151770021
  H        -1.2362095032       -1.2109882083       -1.3633612279
  H        -2.9518144382       -1.0956018150       -1.3124996561
  H        -2.0635481140       -0.2881227181       -0.2076351632
       4
 i =    1037, E =      -17.5511049746
  O        -2.0666837921       -0.6709047938       -1.1177469566
  H        -1.2309417589       -1.2004266467       -1.3697619687
  H        -2.9467163973       -1.1047370560       -1.3261055873
  H        -2.0622180481       -0.2953368044       -0.2039360322
       4
 i =    1038, E =      -17.5512808161
  O        -2.0697552373       -0.6731236631       -1.1198661695
  H        -1.2254122348       -1.1892640647       -1.3730530874
  H        -2.9355134158       -1.1153443254       -1.3407251013
  H        -2.0614117884       -0.2981461021       -0.1964227464
       4
 i =    1039, E =      -17.5516730694
  O        -2.0725098362       -0.6761146277       -1.1206974201
  H        -1.2269903229       -1.1790707646       -1.3751252202
  H        -2.9233794396       -1.1259658647       -1.3550458324
  H        -2.0590514805       -0.3028704668       -0.1915341677
       4
 i =    1040, E =      -17.5520221313
  O        -2.0752394303       -0.6789042813       -1.1218420965
  H        -1.2320019724       -1.1659390903       -1.3755402916
  H        -2.9082490149       -1.1375082368       -1.3724875342
  H        -2.0576724268       -0.3027484480       -0.1882920736
       4
 i =    1041, E =      -17.5519566308
  O        -2.0784848438       -0.6811469704       -1.1227466699
  H        -1.2357882034       -1.1541070029       -1.3763070089
  H        -2.8955357834       -1.1437426095       -1.3879907410
  H        -2.0587894277       -0.3046875610       -0.1842770660
       4
 i =    1042, E =      -17.5519457683
  O        -2.0816920085       -0.6824384055       -1.1242255438
  H        -1.2387150593       -1.1397806892       -1.3764625772
  H        -2.8886289122       -1.1482992466       -1.4051140306
  H        -2.0577260955       -0.3098573872       -0.1841509420
       4
 i =    1043, E =      -17.5521344989
  O        -2.0842495594       -0.6842377700       -1.1251470327
  H        -1.2434956184       -1.1230268077       -1.3751929435
  H        -2.8826802359       -1.1582404863       -1.4211563724
  H        -2.0557274597       -0.3184320673       -0.1881022388
       4
 i =    1044, E =      -17.5519714733
  O        -2.0856122106       -0.6856042782       -1.1253853345
  H        -1.2466740505       -1.1052289773       -1.3744804916
  H        -2.8739258196       -1.1681038046       -1.4363565972
  H        -2.0542245927       -0.3241802154       -0.1921139121
       4
 i =    1045, E =      -17.5517815755
  O        -2.0869876825       -0.6870000611       -1.1257546495
  H        -1.2518412269       -1.0876155558       -1.3731048227
  H        -2.8693573289       -1.1738338815       -1.4470659667
  H        -2.0550903789       -0.3352952890       -0.1977760162
       4
 i =    1046, E =      -17.5515192948
  O        -2.0877542158       -0.6879277658       -1.1255439082
  H        -1.2541735710       -1.0729229707       -1.3751639927
  H        -2.8666492845       -1.1755029206       -1.4570698633
  H        -2.0562277475       -0.3479167645       -0.2019814103
       4
 i =    1047, E =      -17.5511509732
  O        -2.0882092864       -0.6887162791       -1.1246614391
  H        -1.2580354554       -1.0625240543       -1.3752980760
  H        -2.8636295440       -1.1748397962       -1.4674826396
  H        -2.0610259156       -0.3604722202       -0.2033615341
       4
 i =    1048, E =      -17.5509268507
  O        -2.0893660391       -0.6897204055       -1.1244249988
  H        -1.2609060161       -1.0536799665       -1.3754351562
  H        -2.8657674892       -1.1748557907       -1.4750554909
  H        -2.0676283725       -0.3721117410       -0.2051311581
       4
 i =    1049, E =      -17.5508453084
  O        -2.0899151064       -0.6910863901       -1.1250123640
  H        -1.2639504981       -1.0468479383       -1.3791514736
  H        -2.8704353736       -1.1776266034       -1.4800787984
  H        -2.0740932064       -0.3817168117       -0.2013075676
       4
 i =    1050, E =      -17.5510229479
  O        -2.0910608690       -0.6935651160       -1.1253400264
  H        -1.2612033861       -1.0419973376       -1.3802205211
  H        -2.8740666097       -1.1799019273       -1.4806741764
  H        -2.0815592749       -0.3889410910       -0.1966241469
       4
 i =    1051, E =      -17.5512786024
  O        -2.0918161588       -0.6967609451       -1.1258122604
  H        -1.2556810272       -1.0399157190       -1.3793490318
  H        -2.8779546330       -1.1803101508       -1.4797016770
  H        -2.0879853375       -0.3917801130       -0.1943060337
       4
 i =    1052, E =      -17.5517083572
  O        -2.0934391417       -0.7001327192       -1.1259009385
  H        -1.2487821380       -1.0405877296       -1.3797351766
  H        -2.8819673407       -1.1856335503       -1.4806469869
  H        -2.0994355363       -0.3994484260       -0.1911499645
       4
 i =    1053, E =      -17.5520100556
  O        -2.0954916406       -0.7034597357       -1.1254080711
  H        -1.2416490912       -1.0396607324       -1.3819002946
  H        -2.8875860686       -1.1901875304       -1.4786265400
  H        -2.1141912344       -0.4074318829       -0.1897140902
       4
 i =    1054, E =      -17.5520757140
  O        -2.0983351772       -0.7071177804       -1.1244536105
  H        -1.2384583170       -1.0376348216       -1.3835393132
  H        -2.8931752487       -1.1959371091       -1.4763790664
  H        -2.1312626477       -0.4186594104       -0.1890317549
       4
 i =    1055, E =      -17.5520578372
  O        -2.1013703936       -0.7099068313       -1.1250583441
  H        -1.2347689771       -1.0314776950       -1.3874974972
  H        -2.8971218502       -1.1999179654       -1.4721069889
  H        -2.1493065161       -0.4299722676       -0.1865041915
       4
 i =    1056, E =      -17.5519598030
  O        -2.1050023027       -0.7117172151       -1.1266213589
  H        -1.2270164033       -1.0316504551       -1.3917772241
  H        -2.8986113326       -1.2014871072       -1.4648958126
  H        -2.1649549125       -0.4395735721       -0.1825842946
       4
 i =    1057, E =      -17.5517581039
  O        -2.1085263472       -0.7131316597       -1.1278121864
  H        -1.2235820142       -1.0294836421       -1.3956995048
  H        -2.8990007138       -1.2066443237       -1.4552039705
  H        -2.1774405258       -0.4509450966       -0.1815100009
       4
 i =    1058, E =      -17.5514511310
  O        -2.1112119021       -0.7155064414       -1.1296743382
  H        -1.2243700618       -1.0264878524       -1.3991135737
  H        -2.8960635640       -1.2113886192       -1.4420343302
  H        -2.1953620711       -0.4629329810       -0.1802719796
       4
 i =    1059, E =      -17.5510644488
  O        -2.1136766665       -0.7162060546       -1.1300845004
  H        -1.2246226661       -1.0210112073       -1.3999018063
  H        -2.8938072675       -1.2143832201       -1.4317106798
  H        -2.2082480413       -0.4763868315       -0.1826501406
       4
 i =    1060, E =      -17.5507542666
  O        -2.1162416015       -0.7169223420       -1.1309446832
  H        -1.2272237382       -1.0165766461       -1.4009997211
  H        -2.8893847815       -1.2183999921       -1.4287049809
  H        -2.2216649902       -0.4885043862       -0.1804784580
       4
 i =    1061, E =      -17.5507218794
  O        -2.1187951208       -0.7179592208       -1.1318959832
  H        -1.2340039793       -1.0170609474       -1.4003553675
  H        -2.8870106621       -1.2252743736       -1.4301174403
  H        -2.2367341792       -0.5026604291       -0.1797841556
       4
 i =    1062, E =      -17.5508781538
  O        -2.1222777051       -0.7193544067       -1.1327436702
  H        -1.2421339577       -1.0189531383       -1.3973083748
  H        -2.8853447298       -1.2318457579       -1.4335775881
  H        -2.2470536228       -0.5109606071       -0.1754216631
       4
 i =    1063, E =      -17.5510726840
  O        -2.1261243692       -0.7204645127       -1.1336597369
  H        -1.2503368045       -1.0195358027       -1.3939952812
  H        -2.8858451520       -1.2411823188       -1.4357601491
  H        -2.2547387726       -0.5181759671       -0.1688378787
       4
 i =    1064, E =      -17.5514062504
  O        -2.1295895753       -0.7209976713       -1.1346940649
  H        -1.2592540464       -1.0203976985       -1.3888256527
  H        -2.8865344848       -1.2508644199       -1.4428611256
  H        -2.2596371807       -0.5271892998       -0.1664744734
       4
 i =    1065, E =      -17.5517794935
  O        -2.1333137721       -0.7220762411       -1.1365552863
  H        -1.2643166580       -1.0278539725       -1.3816309509
  H        -2.8897802175       -1.2634928756       -1.4531962317
  H        -2.2613518110       -0.5386639200       -0.1653299728
       4
 i =    1066, E =      -17.5519551461
  O        -2.1367052978       -0.7226138181       -1.1379411928
  H        -1.2686922147       -1.0357625523       -1.3760229841
  H        -2.8886033216       -1.2766116825       -1.4630776025
  H        -2.2651112254       -0.5488461464       -0.1652706728
       4
 i =    1067, E =      -17.5520964051
  O        -2.1399856772       -0.7237028679       -1.1376182345
  H        -1.2707515206       -1.0434797441       -1.3719332380
  H        -2.8852320818       -1.2894489944       -1.4736799572
  H        -2.2691909776       -0.5564808679       -0.1662490107
       4
 i =    1068, E =      -17.5522730203
  O        -2.1437001915       -0.7249751734       -1.1372770088
  H        -1.2734704652       -1.0514452848       -1.3655222880
  H        -2.8805026615       -1.2997897091       -1.4821016761
  H        -2.2712320967       -0.5645102052       -0.1736964557
       4
 i =    1069, E =      -17.5522350164
  O        -2.1469477417       -0.7262332231       -1.1373030466
  H        -1.2791228616       -1.0596503775       -1.3593608529
  H        -2.8748926628       -1.3110227022       -1.4891642731
  H        -2.2755665728       -0.5745791351       -0.1794668058
       4
 i =    1070, E =      -17.5521455550
  O        -2.1500000996       -0.7276352256       -1.1361681303
  H        -1.2813299275       -1.0654502243       -1.3520545167
  H        -2.8686399115       -1.3211177555       -1.4935980034
  H        -2.2790694496       -0.5831274439       -0.1839900745
       4
 i =    1071, E =      -17.5521647502
  O        -2.1531106505       -0.7294656140       -1.1349171149
  H        -1.2824070180       -1.0720298113       -1.3474175259
  H        -2.8572854174       -1.3285313596       -1.5004359066
  H        -2.2773402152       -0.5926599060       -0.1871020153
       4
 i =    1072, E =      -17.5521156811
  O        -2.1566210484       -0.7314230697       -1.1339427653
  H        -1.2845152520       -1.0740851216       -1.3447376107
  H        -2.8500086051       -1.3362016762       -1.5105278553
  H        -2.2779978648       -0.6046407988       -0.1882735528
       4
 i =    1073, E =      -17.5522198815
  O        -2.1593470139       -0.7326036140       -1.1328184525
  H        -1.2861597213       -1.0719290316       -1.3449839866
  H        -2.8451592956       -1.3394236901       -1.5232354320
  H        -2.2780435110       -0.6190458533       -0.1848052555
       4
 i =    1074, E =      -17.5523515463
  O        -2.1626458615       -0.7334146646       -1.1313612520
  H        -1.2867862019       -1.0690110037       -1.3441339510
  H        -2.8440441663       -1.3454729871       -1.5351699962
  H        -2.2826505122       -0.6328910738       -0.1758940751
       4
 i =    1075, E =      -17.5524205586
  O        -2.1668408013       -0.7340243327       -1.1309438843
  H        -1.2925552632       -1.0649574298       -1.3456937868
  H        -2.8406312532       -1.3513104618       -1.5446526285
  H        -2.2858832747       -0.6449473976       -0.1668957388
       4
 i =    1076, E =      -17.5524560961
  O        -2.1710915079       -0.7351797958       -1.1306409521
  H        -1.2962583398       -1.0606904324       -1.3445051166
  H        -2.8380418938       -1.3548603998       -1.5531999710
  H        -2.2920384342       -0.6582067557       -0.1579578862
       4
 i =    1077, E =      -17.5525250338
  O        -2.1750117283       -0.7368068728       -1.1305310230
  H        -1.2955794014       -1.0555749618       -1.3451257263
  H        -2.8341482877       -1.3573838306       -1.5562695248
  H        -2.2982405295       -0.6722276841       -0.1481188048
       4
 i =    1078, E =      -17.5524228646
  O        -2.1785243439       -0.7378991998       -1.1302453778
  H        -1.2971019152       -1.0483146198       -1.3437111363
  H        -2.8257647007       -1.3615346949       -1.5621568407
  H        -2.3027677509       -0.6853410078       -0.1402287676
       4
 i =    1079, E =      -17.5523751468
  O        -2.1818196243       -0.7392126666       -1.1296618067
  H        -1.2988316367       -1.0436637500       -1.3433091179
  H        -2.8199976372       -1.3672312135       -1.5634527675
  H        -2.3079649137       -0.7053831887       -0.1380677577
       4
 i =    1080, E =      -17.5524301870
  O        -2.1858181083       -0.7402345256       -1.1291785833
  H        -1.2979898814       -1.0365952853       -1.3407593445
  H        -2.8178252098       -1.3719964946       -1.5620860326
  H        -2.3121205303       -0.7210287408       -0.1387547847
       4
 i =    1081, E =      -17.5524192322
  O        -2.1898681118       -0.7417655986       -1.1302839655
  H        -1.2982239406       -1.0319297982       -1.3416992477
  H        -2.8145484748       -1.3746541409       -1.5634734679
  H        -2.3195481235       -0.7385138665       -0.1417037782
       4
 i =    1082, E =      -17.5523977359
  O        -2.1940654821       -0.7429650205       -1.1313081240
  H        -1.2950253513       -1.0255560244       -1.3441307983
  H        -2.8082220997       -1.3759782751       -1.5660346365
  H        -2.3260577486       -0.7571877068       -0.1462662971
       4
 i =    1083, E =      -17.5523959562
  O        -2.1984511065       -0.7448133943       -1.1330281950
  H        -1.2932958552       -1.0192137415       -1.3465548799
  H        -2.8039689636       -1.3813105935       -1.5672097518
  H        -2.3373414132       -0.7737579591       -0.1503310362
       4
 i =    1084, E =      -17.5522754647
  O        -2.2027774748       -0.7463067502       -1.1346664592
  H        -1.2916666592       -1.0124965137       -1.3479050903
  H        -2.8032419539       -1.3876105782       -1.5670398434
  H        -2.3556609144       -0.7941528449       -0.1520502112
       4
 i =    1085, E =      -17.5521049013
  O        -2.2069711712       -0.7484554976       -1.1353649549
  H        -1.2933190722       -1.0042987055       -1.3495816717
  H        -2.8016833084       -1.3904270288       -1.5661097979
  H        -2.3720457153       -0.8137739645       -0.1545899570
       4
 i =    1086, E =      -17.5518646543
  O        -2.2117524394       -0.7499061310       -1.1356633881
  H        -1.2961827733       -0.9972598695       -1.3505317004
  H        -2.8015958687       -1.3945507891       -1.5647593653
  H        -2.3894802346       -0.8320583071       -0.1593661499
       4
 i =    1087, E =      -17.5517151289
  O        -2.2166600022       -0.7502982354       -1.1363120355
  H        -1.3002263856       -0.9914024335       -1.3524370062
  H        -2.8038711580       -1.3984927343       -1.5684984076
  H        -2.4041494237       -0.8501959664       -0.1641465566
       4
 i =    1088, E =      -17.5514972060
  O        -2.2217837113       -0.7515456126       -1.1364406689
  H        -1.3052893212       -0.9870906477       -1.3510170769
  H        -2.8052609601       -1.4027324512       -1.5741965890
  H        -2.4192884469       -0.8684275933       -0.1674651518
       4
 i =    1089, E =      -17.5512533140
  O        -2.2266013035       -0.7526532201       -1.1364558919
  H        -1.3141996947       -0.9835979719       -1.3489161532
  H        -2.8028251421       -1.4050222957       -1.5774682791
  H        -2.4322349754       -0.8859765807       -0.1707292296
       4
 i =    1090, E =      -17.5508972176
  O        -2.2311455154       -0.7544503165       -1.1361347406
  H        -1.3199897356       -0.9797606273       -1.3467441996
  H        -2.7990088517       -1.4107695904       -1.5809275867
  H        -2.4458906205       -0.9022358437       -0.1732538599
       4
 i =    1091, E =      -17.5504937911
  O        -2.2346595211       -0.7549767871       -1.1361784720
  H        -1.3226591010       -0.9771745917       -1.3448683176
  H        -2.7993683542       -1.4158582834       -1.5853852881
  H        -2.4579838164       -0.9171852053       -0.1745533423
       4
 i =    1092, E =      -17.5499920091
  O        -2.2385658498       -0.7557392615       -1.1368380409
  H        -1.3251601425       -0.9724604144       -1.3450270258
  H        -2.7989122992       -1.4206906755       -1.5925191138
  H        -2.4698198348       -0.9346900405       -0.1767208952
       4
 i =    1093, E =      -17.5495525711
  O        -2.2424842557       -0.7567743617       -1.1373965219
  H        -1.3267871981       -0.9699499007       -1.3452075771
  H        -2.7968063007       -1.4308692377       -1.5976172700
  H        -2.4795439847       -0.9493213382       -0.1830316844
       4
 i =    1094, E =      -17.5492419187
  O        -2.2463277313       -0.7582823812       -1.1371827415
  H        -1.3275498660       -0.9645669945       -1.3419200007
  H        -2.7949603434       -1.4408901951       -1.6075281018
  H        -2.4892278807       -0.9597023526       -0.1905078306
       4
 i =    1095, E =      -17.5490345745
  O        -2.2497749727       -0.7600003646       -1.1370429180
  H        -1.3287417257       -0.9552871454       -1.3387353566
  H        -2.7924642242       -1.4486858197       -1.6144608320
  H        -2.4921565663       -0.9647721964       -0.1965938976
       4
 i =    1096, E =      -17.5490514778
  O        -2.2529174256       -0.7623351732       -1.1374211857
  H        -1.3323221886       -0.9479434834       -1.3356175023
  H        -2.7910025552       -1.4534909891       -1.6260388493
  H        -2.4867878392       -0.9701703554       -0.2062154330
       4
 i =    1097, E =      -17.5492337448
  O        -2.2570545871       -0.7646424035       -1.1390059758
  H        -1.3346192422       -0.9402578274       -1.3288226147
  H        -2.7889204604       -1.4561705150       -1.6362387658
  H        -2.4790386619       -0.9734420619       -0.2145903083
       4
 i =    1098, E =      -17.5497691576
  O        -2.2614930757       -0.7663416584       -1.1401461439
  H        -1.3307874068       -0.9365881033       -1.3215247324
  H        -2.7775829356       -1.4563136032       -1.6471330550
  H        -2.4702440019       -0.9732903122       -0.2197893537
       4
 i =    1099, E =      -17.5502647589
  O        -2.2665810973       -0.7684019619       -1.1398099227
  H        -1.3268230391       -0.9358060750       -1.3196597383
  H        -2.7690572717       -1.4536450802       -1.6597478714
  H        -2.4590627413       -0.9722473750       -0.2194891509
       4
 i =    1100, E =      -17.5506885708
  O        -2.2714773578       -0.7715473264       -1.1402846855
  H        -1.3265088967       -0.9383045647       -1.3180683307
  H        -2.7619933431       -1.4482010249       -1.6682662601
  H        -2.4463279712       -0.9682221933       -0.2177004684
       4
 i =    1101, E =      -17.5510282743
  O        -2.2759447950       -0.7757197659       -1.1412181442
  H        -1.3253717979       -0.9361071307       -1.3176812735
  H        -2.7516522798       -1.4425351250       -1.6811465546
  H        -2.4383411297       -0.9621223625       -0.2147850932
       4
 i =    1102, E =      -17.5512010445
  O        -2.2800040933       -0.7796954046       -1.1422164048
  H        -1.3265313362       -0.9320068081       -1.3160634889
  H        -2.7385936826       -1.4364014908       -1.6933455677
  H        -2.4289099298       -0.9530332092       -0.2061440510
       4
 i =    1103, E =      -17.5509895347
  O        -2.2833529901       -0.7843516777       -1.1434934831
  H        -1.3257785778       -0.9295640890       -1.3081419171
  H        -2.7253532694       -1.4322448080       -1.7050176317
  H        -2.4181105578       -0.9446875101       -0.1973691096
       4
 i =    1104, E =      -17.5507131548
  O        -2.2863243728       -0.7893142105       -1.1444616103
  H        -1.3251062168       -0.9311827868       -1.3001254899
  H        -2.7140874015       -1.4309635025       -1.7128178750
  H        -2.4132262817       -0.9396389751       -0.1856400240
       4
 i =    1105, E =      -17.5503236016
  O        -2.2879606137       -0.7934240682       -1.1454991149
  H        -1.3251020529       -0.9336869760       -1.2914978871
  H        -2.7083961622       -1.4302900685       -1.7222205394
  H        -2.4077941839       -0.9356327396       -0.1738519755
       4
 i =    1106, E =      -17.5498353918
  O        -2.2891108583       -0.7975772368       -1.1464293712
  H        -1.3268743112       -0.9341966238       -1.2845440535
  H        -2.7030603985       -1.4278371105       -1.7328186392
  H        -2.4025457077       -0.9336579802       -0.1698140444
       4
 i =    1107, E =      -17.5496396001
  O        -2.2891013748       -0.8021016676       -1.1469706558
  H        -1.3286265353       -0.9341092079       -1.2818064797
  H        -2.7046185711       -1.4250957299       -1.7407559172
  H        -2.4027482322       -0.9309297544       -0.1632408466
       4
 i =    1108, E =      -17.5495546984
  O        -2.2888275453       -0.8065974249       -1.1477167021
  H        -1.3297373531       -0.9359590746       -1.2797370965
  H        -2.7057127553       -1.4236970775       -1.7504682652
  H        -2.4062239657       -0.9317926375       -0.1594261054
       4
 i =    1109, E =      -17.5494312265
  O        -2.2887447959       -0.8115557140       -1.1492388461
  H        -1.3327094062       -0.9377711119       -1.2777005114
  H        -2.7083792923       -1.4226091055       -1.7583469920
  H        -2.4120947040       -0.9336513191       -0.1560630395
       4
 i =    1110, E =      -17.5492671543
  O        -2.2895737036       -0.8164086067       -1.1508589236
  H        -1.3352026980       -0.9379631779       -1.2694042299
  H        -2.7090078078       -1.4202205530       -1.7669516115
  H        -2.4203898751       -0.9370488250       -0.1563258348
       4
 i =    1111, E =      -17.5493651910
  O        -2.2911786351       -0.8220613507       -1.1527024147
  H        -1.3339324492       -0.9384737246       -1.2651414502
  H        -2.7120001214       -1.4201005082       -1.7795993036
  H        -2.4316065343       -0.9374735585       -0.1598739571
       4
 i =    1112, E =      -17.5495620410
  O        -2.2925857033       -0.8277036640       -1.1533680013
  H        -1.3295249984       -0.9377292698       -1.2621436079
  H        -2.7144361371       -1.4174412127       -1.7917268577
  H        -2.4408788338       -0.9358282927       -0.1670938348
       4
 i =    1113, E =      -17.5500180582
  O        -2.2943319134       -0.8346995512       -1.1540740904
  H        -1.3230488345       -0.9359739914       -1.2618609011
  H        -2.7158516453       -1.4159356810       -1.8005811796
  H        -2.4544680653       -0.9340312576       -0.1800769977
       4
 i =    1114, E =      -17.5501976427
  O        -2.2965037650       -0.8405711188       -1.1535559850
  H        -1.3193312361       -0.9333756826       -1.2630161454
  H        -2.7178449834       -1.4172062969       -1.8056205442
  H        -2.4662812848       -0.9339587327       -0.1911619535
       4
 i =    1115, E =      -17.5503471516
  O        -2.2983436867       -0.8461487013       -1.1530668997
  H        -1.3145374763       -0.9303490454       -1.2631070816
  H        -2.7183941712       -1.4137791656       -1.8050283574
  H        -2.4828446031       -0.9313401659       -0.2016026681
       4
 i =    1116, E =      -17.5502863056
  O        -2.3006563193       -0.8511712678       -1.1522726116
  H        -1.3118780213       -0.9258271670       -1.2642925682
  H        -2.7225820245       -1.4100693959       -1.8055471709
  H        -2.4971363642       -0.9337713848       -0.2129948754
       4
 i =    1117, E =      -17.5500302936
  O        -2.3024232669       -0.8552201819       -1.1527203655
  H        -1.3097518685       -0.9219657014       -1.2665742409
  H        -2.7261082695       -1.4090005682       -1.8056499507
  H        -2.5087309575       -0.9370496377       -0.2241701144
       4
 i =    1118, E =      -17.5498475299
  O        -2.3048917910       -0.8589484594       -1.1536984223
  H        -1.3077260448       -0.9143583057       -1.2717997265
  H        -2.7262939305       -1.4089269419       -1.8107622649
  H        -2.5214507905       -0.9420868152       -0.2327053174
       4
 i =    1119, E =      -17.5502251894
  O        -2.3066260834       -0.8622042733       -1.1543341852
  H        -1.3132725895       -0.9108874016       -1.2752822680
  H        -2.7285780414       -1.4126655860       -1.8148313105
  H        -2.5360334923       -0.9490326932       -0.2359171287
       4
 i =    1120, E =      -17.5507639663
  O        -2.3079477660       -0.8663807757       -1.1545547692
  H        -1.3221450335       -0.9090168642       -1.2748087493
  H        -2.7365724549       -1.4189914230       -1.8180065984
  H        -2.5504405300       -0.9533683269       -0.2372617647
       4
 i =    1121, E =      -17.5514359270
  O        -2.3096711224       -0.8706942218       -1.1549167427
  H        -1.3290381481       -0.9069350879       -1.2716703513
  H        -2.7475080253       -1.4241863726       -1.8218456287
  H        -2.5670358277       -0.9561653214       -0.2326183127
       4
 i =    1122, E =      -17.5519128417
  O        -2.3120657985       -0.8754917159       -1.1550100815
  H        -1.3347225022       -0.9060338338       -1.2704078191
  H        -2.7550917441       -1.4279276598       -1.8234751314
  H        -2.5823257707       -0.9588273069       -0.2272528963
       4
 i =    1123, E =      -17.5521772260
  O        -2.3147133143       -0.8802271252       -1.1553353940
  H        -1.3401150097       -0.9040942139       -1.2661749012
  H        -2.7619991944       -1.4346115683       -1.8207685704
  H        -2.5983399418       -0.9615861301       -0.2196053338
       4
 i =    1124, E =      -17.5522264051
  O        -2.3171264071       -0.8846082630       -1.1553055296
  H        -1.3419093929       -0.9023885602       -1.2605129393
  H        -2.7702723081       -1.4429950588       -1.8156743753
  H        -2.6137633358       -0.9666654577       -0.2127291314
       4
 i =    1125, E =      -17.5521244277
  O        -2.3203536811       -0.8889457423       -1.1562886378
  H        -1.3438544939       -0.9019424962       -1.2581435365
  H        -2.7772776057       -1.4485674595       -1.8079474545
  H        -2.6296751074       -0.9710563925       -0.2068287041
       4
 i =    1126, E =      -17.5520740309
  O        -2.3247162205       -0.8922285488       -1.1575480278
  H        -1.3423684146       -0.9033335800       -1.2548861043
  H        -2.7822010397       -1.4538599278       -1.7994129791
  H        -2.6458991993       -0.9758048591       -0.2085295814
       4
 i =    1127, E =      -17.5517494880
  O        -2.3293362794       -0.8959976657       -1.1598775018
  H        -1.3414048792       -0.9027065026       -1.2548892543
  H        -2.7832143413       -1.4585186058       -1.7943247647
  H        -2.6590282547       -0.9839395273       -0.2101757446
