     337
 i =        0, time =        0.000, E =        -0.9811047523
  O        -0.0018864267       -0.0132410475        0.0144576104
  H         0.0001841616        0.0078165508       -0.0068465550
  H         0.0030737390        0.0026256790       -0.0066187167
  H         0.0000000000        0.0000000000        0.0000000000
  O         0.0125901210        0.0113135354        0.0023609970
  H         0.0025755503       -0.0037116325       -0.0091341719
  H        -0.0111928646       -0.0056499490       -0.0060497483
  H         0.0055222315        0.0052610976        0.0190331225
  O        -0.0241649996       -0.0006326083       -0.0439316191
  H         0.0135145678       -0.0151863329       -0.0195346091
  H        -0.0026223133       -0.0296525125        0.0100420762
  H         0.0089168475        0.0329258860        0.0273578862
  O         0.0028950753        0.0041154615        0.0074898600
  H         0.0029879492        0.0030262166        0.0057396000
  H        -0.0027558955       -0.0012688959        0.0052428972
  H         0.0001405014        0.0003383435       -0.0146723160
  O        -0.0111418184        0.0110311756       -0.0120437313
  H         0.0132369898       -0.0257835629        0.0236689726
  H        -0.0157043374       -0.0090168972        0.0184034644
  H         0.0036587259        0.0315543610       -0.0253834139
  O         0.0102572523        0.0234961399       -0.0195667588
  H         0.0025689513        0.0117431972       -0.0032266247
  H        -0.0088457054       -0.0019366146       -0.0175565961
  H        -0.0044810185       -0.0203828491        0.0273915796
  O        -0.0001827783        0.0031995097       -0.0021737291
  H        -0.0035864169        0.0028835923       -0.0037765365
  H        -0.0038440676        0.0063991869       -0.0035972358
  H         0.0073767268       -0.0072434441        0.0116906480
  O         0.0011826581        0.0002673476       -0.0042867508
  H        -0.0029532157       -0.0042958577        0.0094914293
  H        -0.0045307934       -0.0078159840       -0.0013849937
  H         0.0080345840        0.0154864106       -0.0010932493
  O        -0.0567635677       -0.0006391687       -0.0177627922
  H         0.0106363867        0.0050895441       -0.0101339751
  H         0.0452017067        0.0099166885        0.0058329852
  H        -0.0388342422       -0.0186502073        0.0084264792
  O        -0.0059747472       -0.0026797458       -0.0092767393
  H        -0.0095862522       -0.0031069106       -0.0111060627
  H        -0.0087079597        0.0011910926       -0.0063994344
  H         0.0232336255        0.0039974969        0.0191639814
  O        -0.0113317626       -0.0177826058       -0.0122382915
  H        -0.0132333366        0.0033174252       -0.0072407180
  H         0.0007769480       -0.0077519137       -0.0019467058
  H         0.0048136376        0.0181589478        0.0126848219
  O         0.0011123008        0.0022074265       -0.0006239348
  H         0.0020581969       -0.0003221224        0.0052384049
  H         0.0045696132       -0.0056370140        0.0052910066
  H        -0.0032037268        0.0041648875       -0.0112671898
  O        -0.0232647842        0.0281945973        0.0225389148
  H         0.0015133280       -0.0064776953        0.0075790220
  H         0.0230308762       -0.0265643438       -0.0134482469
  H        -0.0134351670        0.0263596829        0.0001533481
  O        -0.0044212894        0.0102327400       -0.0103767132
  H        -0.0019540974        0.0058736787       -0.0135738414
  H         0.0061986297        0.0146279903       -0.0044666453
  H         0.0034621071       -0.0340349053        0.0272760435
  O         0.0010214262        0.0016332234        0.0022822773
  H        -0.0017086378       -0.0015276429       -0.0013364372
  H         0.0080887157        0.0058290076        0.0052280712
  H        -0.0075474720       -0.0051249216        0.0019522420
  O         0.0027048670       -0.0398962516       -0.0442333010
  H         0.0107500447        0.0360616983        0.0321846970
  H         0.0150444050        0.0083715218        0.0106028687
  H        -0.0331076526       -0.0349259814       -0.0236910025
  O         0.0178881971        0.0250132411       -0.0058787052
  H        -0.0038859551       -0.0036981357       -0.0128982705
  H        -0.0115561824       -0.0036331761       -0.0108321791
  H         0.0132290014        0.0107124609        0.0188015211
  O         0.0259796072       -0.0316319181       -0.0131581848
  H        -0.0092821943        0.0103470101        0.0086952322
  H        -0.0081111212       -0.0010947575       -0.0241800777
  H         0.0246285382       -0.0090135267        0.0130022032
  O        -0.0279892442       -0.0243215395       -0.0159194231
  H        -0.0158519784       -0.0018764414       -0.0042100451
  H        -0.0056120543       -0.0035286152       -0.0202242555
  H         0.0333444419        0.0202308258        0.0331423012
  O        -0.0050436854       -0.0147258456       -0.0064719230
  H        -0.0021635821       -0.0030000679        0.0022367816
  H         0.0044082569        0.0145389623        0.0045553104
  H         0.0020839606       -0.0034125339       -0.0117837707
  O         0.0191027785        0.0393302106        0.0090411566
  H        -0.0290044662       -0.0182236464       -0.0203970320
  H        -0.0160119844        0.0091455172        0.0028426498
  H         0.0438599502       -0.0142177261        0.0077289525
  O        -0.0004833405       -0.0085800004       -0.0167448080
  H        -0.0045506436        0.0019548192        0.0235218738
  H         0.0044371491       -0.0091635912        0.0180135546
  H         0.0006652671        0.0139993795       -0.0371048413
  O         0.0488372840        0.0073138666        0.0031307450
  H        -0.0292114692       -0.0153868260       -0.0234087994
  H        -0.0057195026       -0.0082165741       -0.0149233398
  H         0.0198364888        0.0191426378        0.0482505894
  O        -0.0045612775       -0.0108593299       -0.0002543666
  H         0.0197396337       -0.0054078044        0.0312982165
  H        -0.0016156871       -0.0267109306       -0.0197896139
  H        -0.0148646208        0.0492092475       -0.0152673829
  O         0.0028988523        0.0009477349        0.0024527520
  H        -0.0004044932       -0.0002424370       -0.0031069451
  H        -0.0013756162       -0.0009575341       -0.0028081928
  H         0.0005893746        0.0032870209        0.0060630601
  O         0.0119376561       -0.0063423080       -0.0062829060
  H         0.0069661948       -0.0114728133        0.0068357058
  H         0.0081352645        0.0014900460        0.0023300479
  H        -0.0183563543        0.0122018166       -0.0024855167
  O         0.0077241842        0.0024957420       -0.0053236114
  H        -0.0035179214        0.0091090649        0.0157914774
  H        -0.0013071098        0.0025470083        0.0013495342
  H         0.0027152155       -0.0153625768       -0.0065947390
  O         0.0082015494        0.0469811581        0.0433588453
  H         0.0018829479        0.0148111267       -0.0051657029
  H         0.0107121231        0.0219309544        0.0018281776
  H        -0.0106988125       -0.0511161241       -0.0217641460
  O         0.0119781520       -0.0125627835        0.0024153956
  H        -0.0062437262       -0.0049913819       -0.0052496561
  H        -0.0198796150        0.0123027030       -0.0010713029
  H         0.0230772545       -0.0004499428        0.0030604545
  O        -0.0275044664        0.0162299864        0.0319583589
  H        -0.0132735364        0.0335497507       -0.0183376627
  H         0.0035920489        0.0123974200       -0.0050482749
  H         0.0161473659       -0.0250846463       -0.0007322464
  O         0.0218809185       -0.0260002004        0.0203395748
  H         0.0124778035        0.0115805823       -0.0222301172
  H         0.0022397780        0.0048663592       -0.0161162798
  H        -0.0196093110       -0.0138692337        0.0303531381
  O        -0.0042365983       -0.0034751220        0.0048041981
  H         0.0003104228        0.0115228780        0.0043445634
  H         0.0091742283        0.0152715590        0.0045800057
  H        -0.0059285097       -0.0274753404       -0.0192388452
  O         0.0097308966       -0.0458330043        0.0128265489
  H        -0.0081882783       -0.0149189990       -0.0034493876
  H        -0.0145525636        0.0006722283       -0.0188936124
  H         0.0161566711        0.0268391717        0.0339028540
  O        -0.0123227371        0.0000398680        0.0066517165
  H        -0.0083401181        0.0016440932        0.0038834881
  H        -0.0068186902       -0.0023955042        0.0008184444
  H         0.0174225372        0.0006871073       -0.0072687973
  O        -0.0017258036       -0.0043052473       -0.0002171041
  H        -0.0029589111       -0.0051712016        0.0018366990
  H         0.0007515041       -0.0070893748       -0.0040061303
  H         0.0031828956        0.0137099675       -0.0034100041
  O        -0.0008031376       -0.0003417270       -0.0026451560
  H        -0.0031525744       -0.0050994760        0.0008845167
  H        -0.0021522690        0.0046152428        0.0013062134
  H         0.0037195290       -0.0012151454       -0.0039516924
  O        -0.0017700327       -0.0321883493       -0.0058407554
  H        -0.0033836252       -0.0143409878        0.0058704597
  H        -0.0356860647       -0.0066895911        0.0305216277
  H         0.0278364067        0.0470443980       -0.0256094089
  O         0.0046467072        0.0146049084        0.0077725376
  H        -0.0068591733       -0.0057513727       -0.0013940089
  H        -0.0032266511       -0.0203830432       -0.0113099799
  H         0.0148946885        0.0175227330        0.0069691470
  O        -0.0028354923        0.0041128917       -0.0039294867
  H         0.0005224289        0.0111534528        0.0056493737
  H        -0.0074507643        0.0030973049        0.0010052050
  H         0.0108378952       -0.0179061096        0.0027644116
  O        -0.0051470039        0.0023061496       -0.0084274220
  H         0.0000758315        0.0068850745       -0.0050804548
  H        -0.0035747786        0.0026571923        0.0135362915
  H         0.0087697057       -0.0138663270       -0.0041860188
  O         0.0145024800       -0.0005699633        0.0011143851
  H        -0.0058472190        0.0090622091        0.0104377889
  H        -0.0181332823        0.0100306411        0.0029333767
  H         0.0134889434       -0.0240264901       -0.0107501896
  O         0.0617966838        0.0069313357        0.0188729189
  H         0.0082809419        0.0052916369        0.0089310396
  H         0.0058869475       -0.0033894011        0.0160739790
  H        -0.0438193714       -0.0037408291       -0.0297329549
  O         0.0070306967       -0.0171196969        0.0050510248
  H         0.0098908220        0.0041222961       -0.0106223831
  H        -0.0069703108       -0.0041564803        0.0029784835
  H        -0.0066653077        0.0110074979        0.0001488347
  O         0.0051175101       -0.0040977433       -0.0017880830
  H        -0.0086579643       -0.0139302425       -0.0063456023
  H         0.0017844986       -0.0045010564       -0.0063916673
  H        -0.0017365833        0.0184432673        0.0177044921
  O        -0.0003138066       -0.0045794786       -0.0003720111
  H        -0.0012706820        0.0069151724        0.0022534988
  H         0.0067901729        0.0203773696       -0.0008166519
  H        -0.0003205845       -0.0186318471        0.0011175811
  O        -0.0213604997        0.0191174161        0.0157396075
  H        -0.0091233038       -0.0035126954       -0.0013780159
  H         0.0176162286       -0.0114249779       -0.0065777056
  H         0.0023972588        0.0139840616       -0.0039516775
  O        -0.0093905726        0.0032723478       -0.0043761291
  H         0.0001113777       -0.0049829970       -0.0038077476
  H         0.0017140676       -0.0184578570        0.0032571666
  H         0.0027865669        0.0240617022        0.0082920885
  O        -0.0015350485        0.0232545488        0.0442199275
  H         0.0137390637        0.0241991495       -0.0245177934
  H         0.0156470965        0.0022992351        0.0073251399
  H        -0.0337708288       -0.0468221974        0.0029072875
  O         0.0070749086        0.0147933002        0.0201116359
  H         0.0188601808       -0.0143389328        0.0109158393
  H        -0.0000376147       -0.0008953597        0.0027760838
  H        -0.0247282080        0.0024761468       -0.0287389941
  O        -0.0003726570        0.0161248098       -0.0158973898
  H        -0.0027801102        0.0071423461        0.0048742955
  H        -0.0008982989        0.0097673598       -0.0046724539
  H         0.0077618538       -0.0237021861       -0.0001140718
  O         0.0105804434       -0.0078821827       -0.0029232035
  H         0.0121059535        0.0039970616        0.0064402184
  H         0.0148814672       -0.0063249135        0.0013059370
  H        -0.0401365023       -0.0015773829       -0.0012757007
  O        -0.0008519500       -0.0014836033       -0.0039719549
  H        -0.0067895080       -0.0030315040        0.0049791371
  H         0.0003697602        0.0043180031        0.0195670854
  H         0.0045563750        0.0007869838       -0.0186623197
  O        -0.0030046092        0.0029389083       -0.0022213120
  H         0.0118350578       -0.0103828788        0.0020433855
  H         0.0024092288       -0.0065342380       -0.0002203847
  H        -0.0094258452        0.0163581810       -0.0033704274
  O        -0.0064335870       -0.0014091449        0.0057148295
  H         0.0008689598        0.0044157576        0.0024716920
  H         0.0097993507        0.0060723852        0.0040331234
  H         0.0000000000        0.0000000000        0.0000000000
  O         0.0096537452        0.0337849582       -0.0014033456
  H        -0.0182191392       -0.0418149842        0.0138033820
  H        -0.0049132674       -0.0075950032        0.0054701315
  H         0.0193209180        0.0226288628       -0.0174155016
  O        -0.0005475350        0.0020967162       -0.0044285707
  H         0.0146207555       -0.0124334171        0.0009233967
  H         0.0093587270       -0.0013143102       -0.0013819831
  H        -0.0245612900        0.0125969321       -0.0023771463
  O        -0.0318500749       -0.0040387458       -0.0048321915
  H         0.0110997189        0.0042044998       -0.0021718973
  H         0.0282520177        0.0093403427       -0.0063852733
  H        -0.0302818951       -0.0168370101        0.0095853293
  O         0.0058213098        0.0017686840        0.0153456651
  H        -0.0316393777       -0.0226953530       -0.0316754708
  H        -0.0011793403       -0.0173549073        0.0036920993
  H         0.0240537285        0.0394328245        0.0108360349
  O         0.0016444981        0.0019883649        0.0019310972
  H        -0.0028561537        0.0036224793       -0.0022585865
  H        -0.0086898629       -0.0043574177       -0.0021284783
  H         0.0124891919       -0.0046327005        0.0073995199
  O        -0.0003766022       -0.0007884059       -0.0003366570
  H         0.0066025909       -0.0021453065        0.0054694051
  H         0.0018586752       -0.0044981650        0.0081119233
  H        -0.0078164562        0.0053447462       -0.0138483814
  O        -0.0107603349        0.0177075672        0.0017038700
  H        -0.0167307250       -0.0005185161        0.0037882366
  H        -0.0075584351       -0.0121173201        0.0193045622
  H         0.0238198504        0.0021091680       -0.0205941851
  O         0.0003851701        0.0111669149        0.0058979262
  H        -0.0026771850        0.0067453640        0.0127121266
  H         0.0008828364        0.0040797169        0.0129969669
  H         0.0009529760       -0.0133121594       -0.0252658349
  O         0.0081061876       -0.0209858045        0.0215089927
  H        -0.0015676644       -0.0247134374       -0.0246159744
  H         0.0296319997        0.0143139331       -0.0092311461
  H        -0.0397756416        0.0283448427        0.0238210712
  O        -0.0162695583        0.0055719432       -0.0005345754
  H        -0.0000462577       -0.0064544080       -0.0018665574
  H         0.0253388307       -0.0068327339       -0.0008270235
  H        -0.0121566613        0.0135390971        0.0020880660
  O         0.0334706216        0.0090720834       -0.0039827910
  H         0.0049247011        0.0072597476        0.0027464435
  H         0.0055985531        0.0012894519        0.0073501319
  H        -0.0270894179       -0.0083582392       -0.0012404599
  O        -0.0474670748       -0.0050778220       -0.0036539538
  H        -0.0025208211       -0.0257250821        0.0009441303
  H        -0.0108340633        0.0058468983       -0.0123156036
  H         0.0278423784        0.0219677106        0.0171073192
  O        -0.0104002850        0.0205809951       -0.0373178703
  H        -0.0158701954       -0.0016415259       -0.0083071762
  H        -0.0047853551        0.0009103582       -0.0009813894
  H         0.0256773131       -0.0083224476        0.0097606611
  O        -0.0005874974       -0.0194243608        0.0131604938
  H        -0.0042322556       -0.0021809116        0.0060465167
  H         0.0048054556       -0.0083518962        0.0072235018
  H         0.0012643522        0.0145593047       -0.0165522819
  O         0.0235113089        0.0338713944        0.0046706808
  H        -0.0116013876       -0.0081385208       -0.0258647105
  H        -0.0058907854        0.0070041496       -0.0106743981
  H         0.0033549670       -0.0199367752        0.0373460794
  O         0.0019462975       -0.0180265013        0.0033989786
  H         0.0009577010       -0.0036208037        0.0030103260
  H         0.0041903840        0.0115918503        0.0083644726
  H        -0.0067590379       -0.0016145395       -0.0183681562
  O        -0.0040228012       -0.0095245117        0.0122424607
  H         0.0108354065       -0.0158858345        0.0009635957
  H        -0.0034095252       -0.0124830948        0.0034756129
  H        -0.0094827481        0.0331881369       -0.0155846530
  O         0.0054679309        0.0015991930        0.0042813852
  H         0.0125747431        0.0040677348       -0.0102296088
  H         0.0101884210       -0.0060226622       -0.0304198993
  H        -0.0245054024       -0.0019045935        0.0341209913
  O        -0.0085609796        0.0061885702        0.0037900702
  H         0.0011263419       -0.0062067235       -0.0094023787
  H         0.0111249633       -0.0116565629       -0.0156181000
  H        -0.0099678308        0.0163566420        0.0151691057
  O         0.0057006270       -0.0007375404        0.0035869592
  H         0.0047354779       -0.0048005902        0.0119659963
  H        -0.0017685652       -0.0006474897        0.0160684585
  H        -0.0115514048        0.0113831847       -0.0277652662
  O         0.0016623050       -0.0137945331       -0.0174621492
  H        -0.0231316822        0.0077646266       -0.0118955856
  H        -0.0086472542       -0.0007312274       -0.0086415002
  H         0.0305678706        0.0127001523        0.0285551543
  O         0.0182080146        0.0074206259       -0.0166472869
  H        -0.0242381115       -0.0041173071        0.0123076556
  H        -0.0198567811       -0.0169605210        0.0250199965
  H         0.0208550921        0.0201166599       -0.0205391388
  O        -0.0052588113        0.0003711592        0.0106708264
  H         0.0005022386        0.0123268445       -0.0061655593
  H         0.0041398393        0.0025352460       -0.0028211168
  H        -0.0040118284       -0.0218103064        0.0079020870
  O        -0.0186179341       -0.0392685845       -0.0164728689
  H        -0.0043218831        0.0052381311        0.0049578762
  H         0.0071598619        0.0433036733        0.0096902792
  H         0.0148205940       -0.0256691133       -0.0150920325
  O         0.0051381931       -0.0021572806       -0.0028394027
  H        -0.0235991197        0.0224574124        0.0035536254
  H        -0.0015224432       -0.0099764088        0.0175321612
  H         0.0163878178       -0.0079237334       -0.0147908637
  O        -0.0130095566       -0.0284362451        0.0078194868
  H         0.0028653531       -0.0046821211        0.0049902039
  H         0.0110712340        0.0011796253        0.0000842375
  H        -0.0166281121        0.0100509438       -0.0087735876
  O        -0.0039373894       -0.0125040517       -0.0172041006
  H        -0.0109464886        0.0038254569        0.0064260757
  H        -0.0114334361        0.0119441723        0.0148595216
  H         0.0282473921       -0.0115792830       -0.0193092179
  O         0.0030055411       -0.0129693460       -0.0020682432
  H        -0.0049664047        0.0166258970        0.0119965732
  H        -0.0036728704        0.0011567128        0.0115574096
  H         0.0063740389       -0.0121258047       -0.0295323408
  O         0.0074185847       -0.0005411360        0.0008846449
  H         0.0024615833       -0.0025930268       -0.0076954620
  H         0.0236511027       -0.0054406740        0.0056060668
  H        -0.0167900842        0.0060584621        0.0132021046
  O        -0.0021137441       -0.0039950656        0.0133167957
  H        -0.0133172094        0.0022901386        0.0094141522
  H         0.0026752759       -0.0068099543       -0.0113529248
  H         0.0086860365        0.0098814749       -0.0001662163
 Cl         0.0150097944       -0.0108364744       -0.0098083408
