    63
Energy=    -106.840136803010    
O         0.3720279994        0.8065582246        -3.867235055    
H          1.022996558        0.7321574565        -3.138079203    
H        -0.1298307081         1.605684136        -3.685145567    
O        -0.6089529855         3.092785364         2.360879364    
H         -1.472138631         2.831214053         1.994887616    
H        -0.1673284443         2.243873237         2.574304641    
O         0.1773228185         3.031666748        -1.811817286    
H         0.9244362793         2.423450680        -1.867175595    
H         0.3600124356         3.564470561        -1.016025747    
O         0.9506541404         4.093014292        0.5554226309    
H         0.3385510872         3.717082496         1.258790620    
H          1.107282843         5.004515774        0.8002526109    
O         -3.188701003       -0.3638985851         2.097193636    
H         -2.472794725       -0.6957406649         2.682073859    
H         -3.253774792        -1.001407626         1.367954951    
O         -1.872821520         1.439141015        -1.122449456    
H         -1.233037068         2.119560161        -1.423038821    
H         -2.309364831         1.789348641       -0.3221235570    
O         -1.068378089        -1.255838807         3.500749847    
H        -0.4900447062       -0.4866144134         3.350664378    
H        -0.5667903032        -2.007755017         3.155076892    
O         0.6642658577        -3.108549638         2.278180361    
H          1.467026433        -2.629549637         1.941423341    
H         0.9818846207        -3.937181807         2.636278745    
O        -0.6686027313        -2.677893685       -0.1242559144E-01
H         -1.638277488        -2.633595290        0.7341977635E-01
H        -0.3006340563        -2.944493539        0.8513943327    
O          2.937275008        -1.785786590        -1.501820321    
H          2.123989499        -2.274591989        -1.815567514    
H          3.687939438        -2.256721819        -1.862771054    
O          1.898586307        0.6941835935        -1.623669490    
H          2.466766214       -0.9364784083E-01    -1.693023207    
H          1.188710556        0.4012479062       -0.9912808730    
O        -0.9375975902        -1.476124134        -3.784053947    
H         -1.119528499        -1.739795709        -4.686244773    
H        -0.4608194551       -0.6084702858        -3.837319763    
O         -3.317903963        -2.167312549       -0.1909790344E-01
H         -3.277357884        -1.626386070       -0.8576619076    
H         -4.089459477        -2.727964846       -0.9562022985E-01
O          3.265393825        0.6519594865         2.176225630    
H          3.992503660        0.9002050327         2.745992129    
H          3.247036195         1.314751604         1.432106092    
O         -2.924475389         2.082330242         1.270619012    
H         -3.772934903         2.485823360         1.452682977    
H         -2.991421781         1.143844577         1.619111209    
O          2.803062005        -1.933140717         1.282074584    
H          2.984072274        -1.039702087         1.617653647    
H          2.823826635        -1.867970028        0.3117965761    
O        -0.1157534945E-01   -0.9510589057E-01   -0.1207921064E-01
H        -0.7829354576        0.3869829424       -0.3885564577    
H        -0.2268324126        -1.054197333       -0.5244132921E-01
O         0.7752907704        -3.030413663        -2.278382358    
H         0.2112374265        -2.517352826        -2.883121143    
H         0.2629324774        -3.073280359        -1.451476744    
O          3.078479342         2.367536138        0.2081094178    
H          2.368946409         3.013768661        0.3779154367    
H          2.760849214         1.810283127       -0.5263239587    
O         0.5574321255        0.6834513574         2.502983343    
H          1.526144926        0.6568869190         2.559751140    
H         0.3448852976        0.3961789743         1.588875519    
O         -3.088378370       -0.7547885468        -2.206201994    
H         -2.761965887        0.1061448300        -1.892291974    
H         -2.370651075        -1.114072000        -2.756812805    
    63
Energy=    -106.840136802710    
O         0.3720751005        0.8065730490        -3.867256453    
H          1.023016361        0.7321555498        -3.138076479    
H        -0.1298007663         1.605686580        -3.685152537    
O        -0.6089738063         3.092816617         2.360865262    
H         -1.472167745         2.831243356         1.994897569    
H        -0.1673486764         2.243909821         2.574304714    
O         0.1773332620         3.031647639        -1.811834685    
H         0.9244518325         2.423437618        -1.867199571    
H         0.3600290171         3.564457771        -1.016051219    
O         0.9506489140         4.093013020        0.5554184189    
H         0.3385334638         3.717093821         1.258785428    
H          1.107329958         5.004502855        0.8002601949    
O         -3.188680975       -0.3638972707         2.097222097    
H         -2.472775958       -0.6957723657         2.682085165    
H         -3.253777749        -1.001387096         1.367972180    
O         -1.872832339         1.439133153        -1.122470395    
H         -1.233035375         2.119541666        -1.423054951    
H         -2.309366846         1.789341404       -0.3221392354    
O         -1.068339877        -1.255852237         3.500767265    
H        -0.4900130442       -0.4866263571         3.350649189    
H        -0.5667425045        -2.007770447         3.155116651    
O         0.6642873613        -3.108573202         2.278207146    
H          1.467047158        -2.629575785         1.941446028    
H         0.9819082019        -3.937226689         2.636251614    
O        -0.6686124112        -2.677874945       -0.1239712976E-01
H         -1.638291720        -2.633579818        0.7345119339E-01
H        -0.3006413268        -2.944473695        0.8514196247    
O          2.937262894        -1.785784055        -1.501826391    
H          2.123971625        -2.274582918        -1.815570346    
H          3.687920062        -2.256722824        -1.862785861    
O          1.898590223        0.6941912943        -1.623656164    
H          2.466757292       -0.9364895405E-01    -1.693018904    
H          1.188703206        0.4012652564       -0.9912750902    
O        -0.9375832799        -1.476095830        -3.784077068    
H         -1.119525319        -1.739748229        -4.686271735    
H        -0.4608007073       -0.6084425556        -3.837331830    
O         -3.317894033        -2.167304488       -0.1908913710E-01
H         -3.277370883        -1.626387384       -0.8576597529    
H         -4.089436630        -2.727973466       -0.9561430667E-01
O          3.265379735        0.6519485039         2.176218244    
H          3.992476849        0.9001983173         2.745999173    
H          3.247022967         1.314756036         1.432111880    
O         -2.924464203         2.082321688         1.270620018    
H         -3.772949873         2.485772492         1.452648755    
H         -2.991391454         1.143839477         1.619122229    
O          2.803059259        -1.933162058         1.282075733    
H          2.984078375        -1.039727252         1.617653309    
H          2.823820895        -1.867990060        0.3117967146    
O        -0.1159428483E-01   -0.9509343545E-01   -0.1206400768E-01
H        -0.7829572309        0.3869808285       -0.3885525848    
H        -0.2268398657        -1.054186838       -0.5242545927E-01
O         0.7752688789        -3.030404654        -2.278386900    
H         0.2112187076        -2.517332582        -2.883120573    
H         0.2629181140        -3.073271645        -1.451477454    
O          3.078473895         2.367537863        0.2081109783    
H          2.368933272         3.013764716        0.3779147650    
H          2.760836310         1.810263946       -0.5263056620    
O         0.5574093464        0.6834823462         2.502974905    
H          1.526122248        0.6568982464         2.559743956    
H         0.3448476195        0.3962015824         1.588872581    
O         -3.088382518       -0.7547987354        -2.206204024    
H         -2.761966852        0.1061371380        -1.892304551    
H         -2.370663050        -1.114088179        -2.756823044    
    63
Energy=    -106.840136802250    
O         0.3720845449        0.8065753123        -3.867263012    
H          1.023021047        0.7321546078        -3.138078188    
H        -0.1297943624         1.605689333        -3.685161647    
O        -0.6089836191         3.092825992         2.360860172    
H         -1.472177785         2.831250942         1.994896214    
H        -0.1673572127         2.243920110         2.574306374    
O         0.1773396854         3.031644838        -1.811836936    
H         0.9244568088         2.423436257        -1.867201579    
H         0.3600344873         3.564454641        -1.016054572    
O         0.9506468390         4.093012923        0.5554193991    
H         0.3385296665         3.717096057         1.258786875    
H          1.107340584         5.004499960        0.8002648519    
O         -3.188673510       -0.3638958238         2.097224722    
H         -2.472771074       -0.6957770970         2.682085189    
H         -3.253774729        -1.001384438         1.367974511    
O         -1.872830616         1.439132198        -1.122475093    
H         -1.233034502         2.119540808        -1.423060397    
H         -2.309368928         1.789341547       -0.3221458990    
O         -1.068330563        -1.255857000         3.500767905    
H        -0.4900050168       -0.4866291295         3.350646298    
H        -0.5667287481        -2.007774988         3.155123092    
O         0.6642954937        -3.108579673         2.278214399    
H          1.467053905        -2.629583576         1.941450285    
H         0.9819165692        -3.937239287         2.636243236    
O        -0.6686111840        -2.677868913       -0.1238924943E-01
H         -1.638291927        -2.633575350        0.7345944050E-01
H        -0.3006393471        -2.944470889        0.8514260391    
O          2.937259027        -1.785782137        -1.501830611    
H          2.123966155        -2.274580482        -1.815571727    
H          3.687912316        -2.256723674        -1.862791490    
O          1.898592779        0.6941938011        -1.623654072    
H          2.466753842       -0.9364964384E-01    -1.693019950    
H          1.188700324        0.4012669219       -0.9912787685    
O        -0.9375841226        -1.476090856        -3.784079127    
H         -1.119522684        -1.739744843        -4.686274880    
H        -0.4607990220       -0.6084383655        -3.837334169    
O         -3.317891178        -2.167304830       -0.1908638692E-01
H         -3.277374838        -1.626387762       -0.8576565783    
H         -4.089431850        -2.727975560       -0.9561180301E-01
O          3.265374378        0.6519427469         2.176220351    
H          3.992472547        0.9001914076         2.746001884    
H          3.247017276         1.314752744         1.432117654    
O         -2.924464130         2.082320561         1.270615007    
H         -3.772954474         2.485762545         1.452640185    
H         -2.991386431         1.143839907         1.619121619    
O          2.803058813        -1.933166398         1.282072740    
H          2.984078791        -1.039731587         1.617651819    
H          2.823820699        -1.867992158        0.3117938874    
O        -0.1159688935E-01   -0.9508968549E-01   -0.1205812629E-01
H        -0.7829590823        0.3869828204       -0.3885511860    
H        -0.2268393356        -1.054182777       -0.5242118104E-01
O         0.7752638725        -3.030400228        -2.278384713    
H         0.2112114809        -2.517328371        -2.883117274    
H         0.2629141995        -3.073269639        -1.451474661    
O          3.078472030         2.367535066        0.2081153566    
H          2.368930801         3.013763107        0.3779166704    
H          2.760834565         1.810258289       -0.5263014867    
O         0.5574021474        0.6834916824         2.502975173    
H          1.526115827        0.6569029112         2.559744186    
H         0.3448407948        0.3962092173         1.588872318    
O         -3.088385999       -0.7548012162        -2.206202608    
H         -2.761969526        0.1061350271        -1.892305679    
H         -2.370668505        -1.114090303        -2.756825325    
    63
Energy=    -106.840136799630    
O         0.3721339238        0.8065522634        -3.867294359    
H          1.023083893        0.7321713516        -3.138112409    
H        -0.1297817747         1.605638528        -3.685188027    
O        -0.6090833690         3.092943215         2.360885778    
H         -1.472255780         2.831374718         1.994856461    
H        -0.1674638925         2.244033740         2.574306886    
O         0.1774013178         3.031616111        -1.811852553    
H         0.9245618482         2.423460250        -1.867260718    
H         0.3600680668         3.564408912        -1.016054347    
O         0.9506643348         4.092998487        0.5554423921    
H         0.3384768045         3.717137018         1.258774164    
H          1.107511203         5.004436754        0.8003676490    
O         -3.188585745       -0.3639122346         2.097239520    
H         -2.472692426       -0.6957992665         2.682108947    
H         -3.253705570        -1.001402886         1.367992748    
O         -1.872831014         1.439125904        -1.122537449    
H         -1.233007522         2.119518339        -1.423102008    
H         -2.309378653         1.789335618       -0.3222139508    
O         -1.068240736        -1.255902513         3.500782259    
H        -0.4899442049       -0.4866582373         3.350629132    
H        -0.5666069054        -2.007830417         3.155214498    
O         0.6643543076        -3.108702916         2.278239197    
H          1.467092985        -2.629667624         1.941484356    
H         0.9819895897        -3.937408289         2.636150064    
O        -0.6685808133        -2.677830200       -0.1230612993E-01
H         -1.638253064        -2.633465848        0.7356067338E-01
H        -0.3005976494        -2.944451708        0.8515008272    
O          2.937187131        -1.785752553        -1.501861424    
H          2.123858459        -2.274522645        -1.815568481    
H          3.687808998        -2.256706507        -1.862877029    
O          1.898548091        0.6941961907        -1.623675159    
H          2.466704751       -0.9366137759E-01    -1.692963425    
H          1.188624563        0.4013087123       -0.9913170252    
O        -0.9375862124        -1.476045929        -3.784102701    
H         -1.119426340        -1.739727699        -4.686307491    
H        -0.4607533505       -0.6084136166        -3.837345945    
O         -3.317894689        -2.167257947       -0.1904853674E-01
H         -3.277398858        -1.626396277       -0.8576553511    
H         -4.089370452        -2.728026156       -0.9554850266E-01
O          3.265324135        0.6519171183         2.176284060    
H          3.992466090        0.9001309048         2.746023203    
H          3.246985322         1.314712245         1.432169240    
O         -2.924465621         2.082283522         1.270542595    
H         -3.772993029         2.485664056         1.452534042    
H         -2.991310926         1.143814306         1.619095558    
O          2.803065572        -1.933199300         1.282014729    
H          2.984039268        -1.039769835         1.617622187    
H          2.823776291        -1.867986179        0.3117350728    
O        -0.1159375216E-01   -0.9504479885E-01   -0.1205845180E-01
H        -0.7829801165        0.3870055076       -0.3885285854    
H        -0.2268131065        -1.054147039       -0.5238413700E-01
O         0.7751856100        -3.030354905        -2.278336438    
H         0.2111399399        -2.517273795        -2.883068445    
H         0.2628486971        -3.073227373        -1.451417004    
O          3.078443595         2.367512900        0.2081715505    
H          2.368898084         3.013752939        0.3779182478    
H          2.760840319         1.810234513       -0.5262543903    
O         0.5573338715        0.6835755227         2.502968143    
H          1.526047758        0.6569767540         2.559743847    
H         0.3447776684        0.3963137198         1.588862014    
O         -3.088424183       -0.7548243194        -2.206233992    
H         -2.761976390        0.1061072725        -1.892357228    
H         -2.370735238        -1.114129398        -2.756878863    
    63
Energy=    -106.840136788920    
O         0.3722847726        0.8065824279        -3.867452966    
H          1.023184642        0.7321637858        -3.138231981    
H        -0.1295555987         1.605738901        -3.685433332    
O        -0.6094142038         3.093172875         2.360798994    
H         -1.472523271         2.831542057         1.994675284    
H        -0.1677955124         2.244290600         2.574346551    
O         0.1774866344         3.031775576        -1.811914211    
H         0.9246504274         2.423634052        -1.867346887    
H         0.3601261362         3.564532373        -1.016086694    
O         0.9506948970         4.092975615        0.5555157276    
H         0.3383762045         3.717235683         1.258793926    
H          1.107803465         5.004352695        0.8005084978    
O         -3.188269072       -0.3639339778         2.097258054    
H         -2.472387053       -0.6957907011         2.682148709    
H         -3.253419383        -1.001505493         1.368083705    
O         -1.872748627         1.439198850        -1.122722562    
H         -1.232899791         2.119588951        -1.423236424    
H         -2.309314485         1.789378210       -0.3223967896    
O         -1.067967563        -1.256025034         3.500802363    
H        -0.4897522769       -0.4867265788         3.350597578    
H        -0.5663257453        -2.007925381         3.155192204    
O         0.6645895660        -3.109016313         2.278259127    
H          1.467296979        -2.629969292         1.941436623    
H         0.9822335765        -3.937818787         2.635935368    
O        -0.6684852651        -2.677727965       -0.1206663446E-01
H         -1.638161800        -2.633496710        0.7381805410E-01
H        -0.3004384263        -2.944490468        0.8516777822    
O          2.937010814        -1.785854121        -1.501925941    
H          2.123611357        -2.274582110        -1.815533631    
H          3.687544905        -2.256739283        -1.863201942    
O          1.898596206        0.6941848048        -1.623784613    
H          2.466674325       -0.9373429046E-01    -1.693075308    
H          1.188674827        0.4013713587       -0.9913938551    
O        -0.9376217001        -1.475900669        -3.784061181    
H         -1.119012243        -1.739911526        -4.686264512    
H        -0.4607767372       -0.6082835350        -3.837374749    
O         -3.317748205        -2.167346371       -0.1895704166E-01
H         -3.277300008        -1.626481804       -0.8575591646    
H         -4.089286929        -2.728032554       -0.9536234577E-01
O          3.265110519        0.6518069335         2.176478726    
H          3.992469169        0.8997928365         2.746047253    
H          3.246814958         1.314587864         1.432349083    
O         -2.924606292         2.082253847         1.270310467    
H         -3.773183875         2.485526634         1.452315540    
H         -2.991306978         1.143801836         1.618920559    
O          2.803040093        -1.933213346         1.281984222    
H          2.983852256        -1.039750975         1.617628809    
H          2.823763830        -1.867994432        0.3117113454    
O        -0.1156861701E-01   -0.9491576551E-01   -0.1207682525E-01
H        -0.7829501150        0.3870419103       -0.3886715958    
H        -0.2267630077        -1.054026822       -0.5223987575E-01
O         0.7748715869        -3.030244251        -2.278220838    
H         0.2108074589        -2.517058901        -2.882864794    
H         0.2626364696        -3.073060927        -1.451233357    
O          3.078299830         2.367289170        0.2082942351    
H          2.368749599         3.013515919        0.3780699938    
H          2.760739927         1.810080415       -0.5262080750    
O         0.5570994501        0.6838522586         2.503005732    
H          1.525798300        0.6572054793         2.559943180    
H         0.3446758252        0.3965880418         1.588862704    
O         -3.088515566       -0.7548165557        -2.206140954    
H         -2.762070393        0.1061360188        -1.892323370    
H         -2.370889164        -1.114065436        -2.756898467    
    63
Energy=    -106.840136786380    
O         0.3722835297        0.8065813642        -3.867452553    
H          1.023180491        0.7321545620        -3.138219844    
H        -0.1295870132         1.605707396        -3.685401020    
O        -0.6093855861         3.093169999         2.360813386    
H         -1.472510347         2.831538705         1.994688188    
H        -0.1677864439         2.244286881         2.574344091    
O         0.1774789045         3.031791344        -1.811934823    
H         0.9246631896         2.423674531        -1.867374261    
H         0.3601238678         3.564553346        -1.016111495    
O         0.9507130455         4.092975362        0.5555150473    
H         0.3383778956         3.717251957         1.258790643    
H          1.107805007         5.004350267        0.8005051450    
O         -3.188275174       -0.3639470331         2.097274043    
H         -2.472394956       -0.6957951138         2.682171175    
H         -3.253422958        -1.001533615         1.368107678    
O         -1.872749640         1.439200237        -1.122709116    
H         -1.232889151         2.119576327        -1.423212698    
H         -2.309293338         1.789387027       -0.3223778066    
O         -1.067971578        -1.256009600         3.500826732    
H        -0.4897623912       -0.4867157548         3.350613073    
H        -0.5663558420        -2.007926321         3.155188124    
O         0.6645690793        -3.109027385         2.278228079    
H          1.467282526        -2.629977232         1.941422089    
H         0.9822186983        -3.937816886         2.635947113    
O        -0.6684882054        -2.677749849       -0.1207168008E-01
H         -1.638171324        -2.633505887        0.7382770291E-01
H        -0.3004451673        -2.944494025        0.8516610293    
O          2.937005163        -1.785874023        -1.501882931    
H          2.123619446        -2.274599634        -1.815516150    
H          3.687545663        -2.256745015        -1.863211718    
O          1.898615305        0.6941864021        -1.623760747    
H          2.466666109       -0.9374597136E-01    -1.693063741    
H          1.188666510        0.4013874842       -0.9913912336    
O        -0.9376018994        -1.475892021        -3.784076172    
H         -1.118988933        -1.739887902        -4.686272967    
H        -0.4607513742       -0.6082691712        -3.837376512    
O         -3.317746923        -2.167326636       -0.1896006624E-01
H         -3.277279522        -1.626484444       -0.8575808970    
H         -4.089276266        -2.728033071       -0.9535580275E-01
O          3.265123968        0.6518373219         2.176467553    
H          3.992474438        0.8998225407         2.746035409    
H          3.246832075         1.314600606         1.432312543    
O         -2.924605068         2.082235063         1.270310299    
H         -3.773172976         2.485523309         1.452324608    
H         -2.991314216         1.143789384         1.618935479    
O          2.803042874        -1.933215602         1.282002935    
H          2.983842513        -1.039756098         1.617632248    
H          2.823764226        -1.868002335        0.3117231118    
O        -0.1159497239E-01   -0.9492923204E-01   -0.1207501808E-01
H        -0.7829754584        0.3870254847       -0.3887017913    
H        -0.2267700852        -1.054036601       -0.5224933652E-01
O         0.7748651343        -3.030234423        -2.278235218    
H         0.2108095290        -2.517041109        -2.882858172    
H         0.2626236368        -3.073053372        -1.451234321    
O          3.078277371         2.367281131        0.2082689070    
H          2.368730110         3.013519379        0.3780640266    
H          2.760714274         1.810091419       -0.5262337083    
O         0.5570947243        0.6838428992         2.503001131    
H          1.525796427        0.6572062545         2.559941682    
H         0.3446909605        0.3965750300         1.588856918    
O         -3.088495203       -0.7548234262        -2.206140803    
H         -2.762046186        0.1061412992        -1.892345340    
H         -2.370877391        -1.114057924        -2.756902763    
    63
Energy=    -106.840136782600    
O         0.3722686713        0.8066035227        -3.867494270    
H          1.023124374        0.7322030179        -3.138230024    
H        -0.1295579698         1.605774935        -3.685521072    
O        -0.6095569040         3.093217028         2.360722941    
H         -1.472653883         2.831538655         1.994593795    
H        -0.1679204281         2.244374862         2.574354565    
O         0.1775444511         3.031898817        -1.811910465    
H         0.9246821298         2.423719869        -1.867342868    
H         0.3602017185         3.564630928        -1.016067449    
O         0.9507014679         4.092975958        0.5555788764    
H         0.3383241380         3.717269214         1.258827722    
H          1.107835337         5.004346885        0.8005739774    
O         -3.188181045       -0.3639299191         2.097261796    
H         -2.472281593       -0.6957920738         2.682132731    
H         -3.253350644        -1.001478733         1.368068218    
O         -1.872622113         1.439241803        -1.122792541    
H         -1.232853506         2.119694338        -1.423339369    
H         -2.309294490         1.789455937       -0.3225436944    
O         -1.067856971        -1.256078317         3.500746800    
H        -0.4896501633       -0.4867589225         3.350584210    
H        -0.5661692635        -2.007966524         3.155175204    
O         0.6646713612        -3.109110224         2.278274595    
H          1.467366651        -2.630009322         1.941494259    
H         0.9823238042        -3.937942887         2.635878719    
O        -0.6684388038        -2.677668078       -0.1196458930E-01
H         -1.638119772        -2.633553958        0.7387663631E-01
H        -0.3004066430        -2.944478202        0.8517661927    
O          2.936959638        -1.785855031        -1.502004023    
H          2.123543624        -2.274604594        -1.815544585    
H          3.687480095        -2.256764921        -1.863285854    
O          1.898586835        0.6941684503        -1.623829352    
H          2.466642927       -0.9376019302E-01    -1.693188212    
H          1.188669833        0.4013428743       -0.9914345741    
O        -0.9376759749        -1.475891456        -3.784071851    
H         -1.118893313        -1.740042041        -4.686261420    
H        -0.4608347159       -0.6082738258        -3.837424073    
O         -3.317724902        -2.167411848       -0.1893190511E-01
H         -3.277235213        -1.626485324       -0.8574974849    
H         -4.089317347        -2.728026121       -0.9537002216E-01
O          3.264993393        0.6517609353         2.176544585    
H          3.992463551        0.8996355586         2.746010276    
H          3.246726041         1.314510601         1.432380070    
O         -2.924659432         2.082235140         1.270194159    
H         -3.773248204         2.485480443         1.452199917    
H         -2.991270186         1.143798566         1.618868058    
O          2.803137698        -1.933248138         1.281998952    
H          2.983781751        -1.039756175         1.617640772    
H          2.823772746        -1.868002102        0.3117269625    
O        -0.1152528877E-01   -0.9486310428E-01   -0.1202645192E-01
H        -0.7828685419        0.3871125300       -0.3886820989    
H        -0.2267585789        -1.053968912       -0.5216805990E-01
O         0.7747857196        -3.030260911        -2.278175984    
H         0.2107355512        -2.517061221        -2.882812905    
H         0.2625688757        -3.073045999        -1.451171192    
O          3.078262866         2.367218034        0.2083331917    
H          2.368687238         3.013418594        0.3781047776    
H          2.760701550         1.809977899       -0.5261442028    
O         0.5570284246        0.6839260028         2.503062515    
H          1.525721128        0.6572426867         2.560007758    
H         0.3446082866        0.3967041552         1.588906952    
O         -3.088489327       -0.7547946791        -2.206028580    
H         -2.762064552        0.1061869721        -1.892271337    
H         -2.370911001        -1.114023851        -2.756850191    
    63
Energy=    -106.840136780210    
O         0.3722843787        0.8066108273        -3.867521652    
H          1.023138429        0.7322111570        -3.138247628    
H        -0.1295116393         1.605817594        -3.685586135    
O        -0.6096015686         3.093234302         2.360708064    
H         -1.472695560         2.831541040         1.994558749    
H        -0.1679589195         2.244397165         2.574354986    
O         0.1775643011         3.031906156        -1.811902282    
H         0.9246704767         2.423696789        -1.867317689    
H         0.3602145612         3.564629456        -1.016048799    
O         0.9506971503         4.092974023        0.5555892739    
H         0.3383110137         3.717267704         1.258825130    
H          1.107832667         5.004347945        0.8005783989    
O         -3.188147493       -0.3639174888         2.097248655    
H         -2.472257977       -0.6957886899         2.682108700    
H         -3.253326747        -1.001457097         1.368053215    
O         -1.872614702         1.439250598        -1.122815772    
H         -1.232856968         2.119710180        -1.423368951    
H         -2.309305809         1.789457915       -0.3225779442    
O         -1.067825459        -1.256094381         3.500719623    
H        -0.4896266632       -0.4867738394         3.350574007    
H        -0.5661136361        -2.007976924         3.155172617    
O         0.6647103146        -3.109115859         2.278303571    
H          1.467397374        -2.630021012         1.941508257    
H         0.9823631641        -3.937972408         2.635856833    
O        -0.6684183277        -2.677655852       -0.1194329904E-01
H         -1.638112542        -2.633558633        0.7388781846E-01
H        -0.3003928465        -2.944473696        0.8517932030    
O          2.936956025        -1.785849787        -1.502041339    
H          2.123529987        -2.274593084        -1.815563866    
H          3.687463424        -2.256777266        -1.863285428    
O          1.898577591        0.6941706371        -1.623843791    
H          2.466643402       -0.9375418486E-01    -1.693222157    
H          1.188679795        0.4013260144       -0.9914498893    
O        -0.9376946314        -1.475877242        -3.784050358    
H         -1.118899170        -1.740072215        -4.686248534    
H        -0.4608564751       -0.6082697123        -3.837432553    
O         -3.317722385        -2.167437470       -0.1891942849E-01
H         -3.277235500        -1.626491362       -0.8574667225    
H         -4.089329208        -2.728020094       -0.9536753307E-01
O          3.264959487        0.6517196831         2.176562247    
H          3.992450657        0.8995818931         2.746020957    
H          3.246692993         1.314487714         1.432413114    
O         -2.924676950         2.082245234         1.270160196    
H         -3.773276940         2.485474477         1.452181250    
H         -2.991267349         1.143813457         1.618851692    
O          2.803141290        -1.933254612         1.281978107    
H          2.983779209        -1.039755621         1.617636531    
H          2.823776672        -1.867996945        0.3117122637    
O        -0.1150106847E-01   -0.9485296258E-01   -0.1201482879E-01
H        -0.7828375798        0.3871383042       -0.3886642388    
H        -0.2267483202        -1.053948526       -0.5214163851E-01
O         0.7747713027        -3.030263414        -2.278164930    
H         0.2107126192        -2.517059754        -2.882798617    
H         0.2625610379        -3.073045859        -1.451149842    
O          3.078261731         2.367190113        0.2083659512    
H          2.368694438         3.013403005        0.3781213800    
H          2.760713298         1.809954735       -0.5261162820    
O         0.5570071713        0.6839571582         2.503081605    
H          1.525710357        0.6572511381         2.560022650    
H         0.3445851195        0.3967315984         1.588917963    
O         -3.088513811       -0.7547870264        -2.206009020    
H         -2.762087141        0.1061889194        -1.892242435    
H         -2.370926949        -1.114016316        -2.756833945    
    63
Energy=    -106.840136752750    
O         0.3719842773        0.8068164727        -3.867631617    
H          1.022814498        0.7324321293        -3.138353295    
H        -0.1295884380         1.606214038        -3.685956401    
O        -0.6100174974         3.093372291         2.360506231    
H         -1.473026926         2.831686443         1.994170175    
H        -0.1684426975         2.244560602         2.574410047    
O         0.1777576785         3.032160371        -1.812007528    
H         0.9247473690         2.423808759        -1.867408560    
H         0.3603847449         3.564718496        -1.016034777    
O         0.9506818994         4.092866531        0.5556695190    
H         0.3381126302         3.717140749         1.258747054    
H          1.107552140         5.004286812        0.8006475916    
O         -3.187722596       -0.3638308039         2.096904502    
H         -2.471861259       -0.6958294593         2.681735382    
H         -3.253241565        -1.001573477         1.367902867    
O         -1.872368486         1.439467219        -1.122923292    
H         -1.232652428         2.119978913        -1.423456197    
H         -2.309264047         1.789678945       -0.3227922003    
O         -1.067653434        -1.256381654         3.500521710    
H        -0.4895978474       -0.4869371875         3.350468250    
H        -0.5656656379        -2.008208251         3.155240698    
O         0.6651661634        -3.109236895         2.278471881    
H          1.467839792        -2.630182097         1.941578417    
H         0.9828147417        -3.938149960         2.635887542    
O        -0.6683298158        -2.677410591       -0.1166862932E-01
H         -1.638009396        -2.633416477        0.7424425657E-01
H        -0.3002000304        -2.944199042        0.8520291372    
O          2.936911370        -1.785948011        -1.502175120    
H          2.123502875        -2.274696639        -1.815675325    
H          3.687429138        -2.257023603        -1.863260392    
O          1.898559023        0.6941874656        -1.624025513    
H          2.466607346       -0.9372931166E-01    -1.693484087    
H          1.188778666        0.4013848292       -0.9914701648    
O        -0.9377442824        -1.475910482        -3.783916281    
H         -1.119175434        -1.740052394        -4.686072154    
H        -0.4610052187       -0.6082572834        -3.837365044    
O         -3.317909309        -2.167535424       -0.1881748564E-01
H         -3.277338696        -1.626508424       -0.8573031188    
H         -4.089609362        -2.727980183       -0.9530728010E-01
O          3.264765815        0.6512957510         2.176753057    
H          3.992447340        0.8989520139         2.746059481    
H          3.246433519         1.314107053         1.432662795    
O         -2.924964092         2.082345741         1.269681408    
H         -3.773665248         2.485335868         1.451738135    
H         -2.991265559         1.143899448         1.618372890    
O          2.803381779        -1.933437074         1.281809535    
H          2.983971022        -1.039958562         1.617590709    
H          2.823845927        -1.868025777        0.3115391896    
O        -0.1142957357E-01   -0.9451934284E-01   -0.1185331264E-01
H        -0.7827454316        0.3874914411       -0.3885307085    
H        -0.2267204539        -1.053604479       -0.5194459603E-01
O         0.7746962423        -3.030480848        -2.278117354    
H         0.2105500129        -2.517265619        -2.882658418    
H         0.2626443548        -3.073266932        -1.451018500    
O          3.078187155         2.366866513        0.2085793334    
H          2.368758361         3.013242311        0.3782866903    
H          2.760663435         1.809829830       -0.5260682586    
O         0.5568092200        0.6841987040         2.503305832    
H          1.525494109        0.6573781719         2.560368383    
H         0.3444870774        0.3969535774         1.589130025    
O         -3.088379392       -0.7546403188        -2.205676002    
H         -2.761753593        0.1062863457        -1.891953821    
H         -2.370920872        -1.113989629        -2.756577807    
    63
Energy=    -106.840136741550    
O         0.3718931606        0.8068523359        -3.867647576    
H          1.022706233        0.7324797910        -3.138341638    
H        -0.1296365968         1.606281225        -3.685978183    
O        -0.6101196721         3.093402170         2.360488656    
H         -1.473091682         2.831695684         1.994106958    
H        -0.1685714237         2.244591134         2.574386472    
O         0.1777715088         3.032222885        -1.812066116    
H         0.9247903161         2.423892370        -1.867486308    
H         0.3604384860         3.564748791        -1.016074114    
O         0.9506534900         4.092838364        0.5556372337    
H         0.3380907389         3.717123240         1.258719210    
H          1.107467183         5.004262382        0.8006462858    
O         -3.187676635       -0.3638358637         2.096838701    
H         -2.471792842       -0.6958379319         2.681631667    
H         -3.253264204        -1.001606120         1.367879743    
O         -1.872319182         1.439539669        -1.122948841    
H         -1.232568621         2.120036834        -1.423444408    
H         -2.309214114         1.789796049       -0.3228384339    
O         -1.067618562        -1.256455511         3.500519716    
H        -0.4896028486       -0.4869618198         3.350433858    
H        -0.5656138923        -2.008260951         3.155240897    
O         0.6652562361        -3.109270230         2.278462384    
H          1.467953686        -2.630232342         1.941569288    
H         0.9829055417        -3.938165681         2.635928805    
O        -0.6683105516        -2.677284371       -0.1158561936E-01
H         -1.637977989        -2.633364228        0.7434795185E-01
H        -0.3001614651        -2.944125751        0.8520770833    
O          2.936934732        -1.785979402        -1.502203778    
H          2.123524042        -2.274766285        -1.815679314    
H          3.687429687        -2.257078742        -1.863282141    
O          1.898552602        0.6941714702        -1.624050945    
H          2.466588235       -0.9376585818E-01    -1.693491378    
H          1.188776711        0.4014135488       -0.9914763624    
O        -0.9377543950        -1.475915151        -3.783900165    
H         -1.119257466        -1.740002426        -4.686058350    
H        -0.4610509057       -0.6082386765        -3.837314922    
O         -3.317933488        -2.167582713       -0.1879486844E-01
H         -3.277371215        -1.626500471       -0.8572544945    
H         -4.089672504        -2.728007282       -0.9529800430E-01
O          3.264723078        0.6512583205         2.176833639    
H          3.992471931        0.8988160218         2.746060242    
H          3.246434758         1.314006018         1.432667092    
O         -2.924994561         2.082377606         1.269627497    
H         -3.773756875         2.485272533         1.451614802    
H         -2.991295281         1.143906727         1.618240154    
O          2.803551216        -1.933520611         1.281790278    
H          2.984031522        -1.040048471         1.617576198    
H          2.823885690        -1.868080145        0.3115332130    
O        -0.1141809864E-01   -0.9445472089E-01   -0.1181024169E-01
H        -0.7827145906        0.3875764107       -0.3885228762    
H        -0.2267380278        -1.053537681       -0.5192684916E-01
O         0.7746725981        -3.030547974        -2.278119519    
H         0.2105472777        -2.517318121        -2.882650108    
H         0.2626485307        -3.073288897        -1.450998410    
O          3.078153786         2.366830164        0.2085980238    
H          2.368720811         3.013174841        0.3783290316    
H          2.760636043         1.809793043       -0.5260472463    
O         0.5567438162        0.6842124411         2.503369238    
H          1.525416601        0.6573976884         2.560468603    
H         0.3444764032        0.3970501904         1.589152528    
O         -3.088343758       -0.7545727262        -2.205601764    
H         -2.761608200        0.1063029658        -1.891895179    
H         -2.370885899        -1.113958158        -2.756477811    
    63
Energy=    -106.840136686680    
O         0.3716962817        0.8069634904        -3.867705393    
H          1.022679381        0.7326552726        -3.138541136    
H        -0.1297965281         1.606414022        -3.686040353    
O        -0.6105499872         3.093466259         2.360263600    
H         -1.473607557         2.831787766         1.994058482    
H        -0.1690762390         2.244687283         2.574364964    
O         0.1780158065         3.032266855        -1.812344641    
H         0.9250838343         2.424004697        -1.867890047    
H         0.3606739683         3.564686220        -1.016265221    
O         0.9505934201         4.092639395        0.5555507199    
H         0.3378851667         3.717086007         1.258584215    
H          1.107166585         5.004202837        0.8002031529    
O         -3.187468611       -0.3637810317         2.096388145    
H         -2.471687206       -0.6958152395         2.681261239    
H         -3.253111454        -1.001608800         1.367473310    
O         -1.872159150         1.439803673        -1.122996396    
H         -1.232277144         2.120126449        -1.423609407    
H         -2.309143200         1.790325455       -0.3230400344    
O         -1.067575268        -1.256695417         3.500425647    
H        -0.4895501528       -0.4871746235         3.350569697    
H        -0.5655259081        -2.008441900         3.155077328    
O         0.6658441743        -3.109344368         2.278284641    
H          1.468649339        -2.630597114         1.941168576    
H         0.9833780570        -3.938119286         2.636125690    
O        -0.6681816050        -2.676752286       -0.1127093081E-01
H         -1.637842023        -2.633112461        0.7462886375E-01
H        -0.2999194054        -2.943873071        0.8522413787    
O          2.936896558        -1.786075242        -1.502379060    
H          2.123512069        -2.274968194        -1.815800633    
H          3.687484596        -2.257325364        -1.863069013    
O          1.898452404        0.6942681240        -1.624217106    
H          2.466357925       -0.9373190726E-01    -1.693618127    
H          1.188632382        0.4016033708       -0.9916218864    
O        -0.9377634804        -1.475783967        -3.783530331    
H         -1.120054576        -1.739467193        -4.685643158    
H        -0.4612282943       -0.6080106567        -3.836989622    
O         -3.317970194        -2.167911942       -0.1878133565E-01
H         -3.277351637        -1.626738214       -0.8571882096    
H         -4.089918208        -2.728038870       -0.9518354161E-01
O          3.264648358        0.6508778313         2.177027828    
H          3.992527114        0.8982526593         2.746173545    
H          3.246468281         1.313682042         1.432916232    
O         -2.925452666         2.082540688         1.269380535    
H         -3.774418690         2.485121496         1.451057535    
H         -2.991478300         1.144064000         1.618013040    
O          2.804185291        -1.933955702         1.281479141    
H          2.984277077        -1.040450569         1.617375839    
H          2.824327409        -1.868384672        0.3112221997    
O        -0.1123210955E-01   -0.9408625858E-01   -0.1171792264E-01
H        -0.7824982355        0.3879120350       -0.3884747194    
H        -0.2265935161        -1.053173638       -0.5167632257E-01
O         0.7745017327        -3.030789708        -2.277769286    
H         0.2106674220        -2.517543287        -2.882556002    
H         0.2623781890        -3.073029396        -1.450676257    
O          3.078145931         2.366555011        0.2089183173    
H          2.368648254         3.012814328        0.3787002283    
H          2.760682664         1.809607981       -0.5258172968    
O         0.5564511601        0.6844135631         2.503631803    
H          1.525101566        0.6573740881         2.560990984    
H         0.3443649787        0.3974202240         1.589305551    
O         -3.088201130       -0.7545470741        -2.205250875    
H         -2.761571774        0.1064070645        -1.891636278    
H         -2.370662023        -1.113945134        -2.756052406    
    63
Energy=    -106.840136616730    
O         0.3717851246        0.8070380845        -3.867729673    
H          1.022866758        0.7326344209        -3.138667370    
H        -0.1299739156         1.606230067        -3.685623424    
O        -0.6108658722         3.093632731         2.360286607    
H         -1.473917492         2.831971591         1.994068825    
H        -0.1693407123         2.244863769         2.574385934    
O         0.1783106612         3.032302878        -1.812731782    
H         0.9254712649         2.424137746        -1.868368087    
H         0.3608483064         3.564529182        -1.016521436    
O         0.9502884784         4.092358747        0.5552746856    
H         0.3375397794         3.717085611         1.258420685    
H          1.106994997         5.003988620        0.7996065347    
O         -3.187459581       -0.3637324328         2.096167806    
H         -2.471819656       -0.6958508027         2.681162388    
H         -3.252946621        -1.001529417         1.367213459    
O         -1.872105250         1.440104512        -1.123162695    
H         -1.232246488         2.120452483        -1.423778247    
H         -2.309022622         1.790471696       -0.3231498972    
O         -1.067662142        -1.256994242         3.500058871    
H        -0.4897731677       -0.4872879108         3.350597974    
H        -0.5653283021        -2.008526323         3.154599928    
O         0.6662805677        -3.109260905         2.278103248    
H          1.469200359        -2.630777185         1.940916738    
H         0.9836269403        -3.937992793         2.636233292    
O        -0.6680967912        -2.676339241       -0.1117382484E-01
H         -1.637786713        -2.633143770        0.7475246963E-01
H        -0.2997110513        -2.943673689        0.8522257729    
O          2.936829562        -1.786088097        -1.502454755    
H          2.123334665        -2.275001042        -1.815577132    
H          3.687333811        -2.257469088        -1.863153903    
O          1.898675657        0.6942906801        -1.624345187    
H          2.466418261       -0.9384470819E-01    -1.693872887    
H          1.188856729        0.4017825057       -0.9917154360    
O        -0.9378606277        -1.475520014        -3.783091394    
H         -1.120967371        -1.738912139        -4.685120246    
H        -0.4609621727       -0.6079332843        -3.836727156    
O         -3.317858220        -2.168231262       -0.1876115345E-01
H         -3.277181971        -1.627029795       -0.8571514821    
H         -4.089907640        -2.728252432       -0.9515991036E-01
O          3.264443181        0.6504070408         2.177268765    
H          3.992464866        0.8976683857         2.746313978    
H          3.246187309         1.313275255         1.433207837    
O         -2.925958423         2.082727755         1.269209852    
H         -3.775088896         2.485046315         1.450615338    
H         -2.991807405         1.144239988         1.617831969    
O          2.804910723        -1.934321315         1.281219696    
H          2.984704550        -1.040774961         1.617184507    
H          2.824959102        -1.868630750        0.3109617774    
O        -0.1117241431E-01   -0.9357182665E-01   -0.1150856481E-01
H        -0.7825338999        0.3882984811       -0.3882765997    
H        -0.2264468451        -1.052681461       -0.5142200120E-01
O         0.7743463671        -3.030701939        -2.277497419    
H         0.2105724490        -2.517598859        -2.882433110    
H         0.2623056638        -3.072541433        -1.450321460    
O          3.078025532         2.366155953        0.2092804005    
H          2.368602315         3.012526108        0.3788430208    
H          2.760726005         1.809374215       -0.5256500700    
O         0.5565178205        0.6845463050         2.503900966    
H          1.525183493        0.6572954945         2.561043824    
H         0.3442553850        0.3975321235         1.589628585    
O         -3.088235644       -0.7546052284        -2.205018052    
H         -2.761897110        0.1063943361        -1.891281180    
H         -2.370420566        -1.113787133        -2.755630717    
    63
Energy=    -106.840136507630    
O         0.3719721837        0.8067946022        -3.867663524    
H          1.023366190        0.7323895316        -3.138891338    
H        -0.1301866129         1.605603534        -3.684966359    
O        -0.6110478285         3.093748405         2.360336818    
H         -1.474065765         2.831918443         1.994189221    
H        -0.1693669432         2.245081389         2.574593072    
O         0.1785538922         3.031869031        -1.812968361    
H         0.9257816313         2.423824972        -1.868634102    
H         0.3610335380         3.564238344        -1.016829454    
O         0.9501207631         4.092119928        0.5550963630    
H         0.3373504188         3.716870131         1.258239229    
H          1.106814052         5.003775287        0.7993190679    
O         -3.187705760       -0.3636728860         2.096012766    
H         -2.471987125       -0.6957730740         2.680938331    
H         -3.253242527        -1.001615935         1.367172236    
O         -1.872370728         1.440332179        -1.123126580    
H         -1.232397232         2.120477194        -1.423888527    
H         -2.309377722         1.790992362       -0.3232417506    
O         -1.067644604        -1.257183594         3.499418625    
H        -0.4899551315       -0.4872812207         3.350341602    
H        -0.5649727575        -2.008373714         3.153728516    
O         0.6667050496        -3.108941671         2.277911237    
H          1.469723592        -2.630552308         1.940771628    
H         0.9838030525        -3.937732376         2.636094558    
O        -0.6678219404        -2.676000523       -0.1114503556E-01
H         -1.637531916        -2.633090145        0.7471701712E-01
H        -0.2993667708        -2.943380507        0.8522299514    
O          2.936825935        -1.785932671        -1.502500596    
H          2.123061170        -2.274470583        -1.815502657    
H          3.686929998        -2.257411402        -1.863937790    
O          1.899083098        0.6942578148        -1.624405357    
H          2.466757233       -0.9394223384E-01    -1.693852225    
H          1.189286025        0.4019811239       -0.9916567228    
O        -0.9379752725        -1.475457640        -3.782654633    
H         -1.122067529        -1.738657560        -4.684552721    
H        -0.4607864672       -0.6080454104        -3.836647937    
O         -3.317763916        -2.168510998       -0.1867280863E-01
H         -3.277238437        -1.627249693       -0.8569946754    
H         -4.089555487        -2.728830997       -0.9512954859E-01
O          3.264372784        0.6497484665         2.177396735    
H          3.992251987        0.8970708985         2.746588162    
H          3.246021621         1.312690045         1.433450534    
O         -2.926106056         2.082889526         1.268999981    
H         -3.775351299         2.485195010         1.450027884    
H         -2.992069193         1.144379942         1.617481846    
O          2.805550408        -1.934698248         1.281107138    
H          2.985348665        -1.041189002         1.617282490    
H          2.825395343        -1.868717844        0.3108383746    
O        -0.1105518822E-01   -0.9320751133E-01   -0.1141305187E-01
H        -0.7821355292        0.3889086920       -0.3883634196    
H        -0.2267440055        -1.052217071       -0.5120362267E-01
O         0.7743747511        -3.030307219        -2.277345053    
H         0.2102764435        -2.517319540        -2.882092656    
H         0.2624444805        -3.072248562        -1.450101588    
O          3.077788958         2.365942170        0.2095684768    
H          2.368152450         3.012184117        0.3789469771    
H          2.760830066         1.809070991       -0.5254336120    
O         0.5563162902        0.6847265799         2.504282240    
H          1.524973098        0.6572769157         2.561551412    
H         0.3441310282        0.3978650120         1.589944418    
O         -3.088351091       -0.7544880772        -2.204839760    
H         -2.762248296        0.1066058118        -1.891057144    
H         -2.370395963        -1.113570628        -2.755354815    
    63
Energy=    -106.840136464040    
O         0.3719199618        0.8066968803        -3.867564033    
H          1.023352424        0.7322824405        -3.138799283    
H        -0.1303143733         1.605440953        -3.684749455    
O        -0.6110940153         3.093770826         2.360408550    
H         -1.474080110         2.831884373         1.994198161    
H        -0.1694217597         2.245117655         2.574638888    
O         0.1785597854         3.031902379        -1.813068132    
H         0.9259048934         2.423973157        -1.868838859    
H         0.3611079162         3.564257588        -1.016900699    
O         0.9500575973         4.092082268        0.5550626311    
H         0.3372756049         3.716881708         1.258193842    
H          1.106757325         5.003722102        0.7993126561    
O         -3.187879001       -0.3637067697         2.096034041    
H         -2.472086466       -0.6957606339         2.680882570    
H         -3.253418834        -1.001650408         1.367213488    
O         -1.872274521         1.440480965        -1.123183037    
H         -1.232331140         2.120640201        -1.423916179    
H         -2.309335623         1.791130977       -0.3233211762    
O         -1.067662389        -1.257224263         3.499282531    
H        -0.4900254185       -0.4872394520         3.350248692    
H        -0.5649390775        -2.008357987         3.153558123    
O         0.6667843290        -3.108860131         2.277846866    
H          1.469907304        -2.630578999         1.940773295    
H         0.9838185249        -3.937656828         2.636053812    
O        -0.6677808755        -2.675878999       -0.1112290544E-01
H         -1.637489526        -2.633042436        0.7473808907E-01
H        -0.2992968018        -2.943282095        0.8522408395    
O          2.936900373        -1.786021507        -1.502487470    
H          2.123011686        -2.274423179        -1.815500950    
H          3.686932812        -2.257347999        -1.864202150    
O          1.899134698        0.6941979379        -1.624387335    
H          2.466782532       -0.9404608357E-01    -1.693788054    
H          1.189344229        0.4019416707       -0.9916520273    
O        -0.9380306061        -1.475518907        -3.782666526    
H         -1.122235260        -1.738671320        -4.684539152    
H        -0.4608328924       -0.6080930578        -3.836630521    
O         -3.317775691        -2.168550507       -0.1862678060E-01
H         -3.277223767        -1.627238642       -0.8569390689    
H         -4.089430338        -2.729067400       -0.9522286489E-01
O          3.264372884        0.6496412246         2.177421888    
H          3.992225195        0.8969609105         2.746586923    
H          3.245973739         1.312603635         1.433466876    
O         -2.926107424         2.082886717         1.268993684    
H         -3.775340109         2.485179927         1.449887793    
H         -2.992118091         1.144334152         1.617397264    
O          2.805815980        -1.934834515         1.281160056    
H          2.985547092        -1.041339662         1.617327063    
H          2.825592541        -1.868853906        0.3109092938    
O        -0.1106295937E-01   -0.9306300843E-01   -0.1129348246E-01
H        -0.7821077160        0.3890675665       -0.3883647395    
H        -0.2267989229        -1.052087204       -0.5119466355E-01
O         0.7743275213        -3.030234421        -2.277322033    
H         0.2102833359        -2.517287975        -2.882157204    
H         0.2624704539        -3.072176426        -1.450024648    
O          3.077718942         2.365908014        0.2095909190    
H          2.368003956         3.012027693        0.3789342823    
H          2.760756541         1.809007589       -0.5253896628    
O         0.5562787890        0.6847596426         2.504339986    
H          1.524912674        0.6572862409         2.561656836    
H         0.3441009139        0.3979969731         1.589958415    
O         -3.088341580       -0.7544062394        -2.204737034    
H         -2.762174323        0.1066810372        -1.890985008    
H         -2.370411838        -1.113486843        -2.755233738    
    63
Energy=    -106.840136335680    
O         0.3720499436        0.8062731808        -3.867494465    
H          1.023522190        0.7318750439        -3.138799802    
H        -0.1304857354         1.604744819        -3.684300252    
O        -0.6111706590         3.093841214         2.360400957    
H         -1.474151732         2.831844464         1.994323114    
H        -0.1695252220         2.245279633         2.575046045    
O         0.1789345257         3.031539702        -1.813306692    
H         0.9261479664         2.423478231        -1.868731265    
H         0.3612291793         3.563950385        -1.017178417    
O         0.9498030368         4.092016497        0.5550084787    
H         0.3371298815         3.716765210         1.258204175    
H          1.106657704         5.003577525        0.7993700042    
O         -3.188194074       -0.3635966343         2.095859260    
H         -2.472290512       -0.6956521528         2.680582750    
H         -3.254075883        -1.001712724         1.367210331    
O         -1.872283857         1.440677069        -1.123321969    
H         -1.232250687         2.120844003        -1.424024203    
H         -2.309375109         1.791347833       -0.3234996322    
O         -1.067844263        -1.257175947         3.498543012    
H        -0.4901559714       -0.4871477339         3.350065452    
H        -0.5648883320        -2.008226348         3.152961196    
O         0.6672466976        -3.108502358         2.277748414    
H          1.470453811        -2.630507741         1.940439599    
H         0.9840361857        -3.937445581         2.635841291    
O        -0.6676608102        -2.675673739       -0.1117256822E-01
H         -1.637352975        -2.632764114        0.7494786475E-01
H        -0.2989724077        -2.942773090        0.8521775042    
O          2.936965168        -1.785774553        -1.502876168    
H          2.123019191        -2.274185965        -1.815574764    
H          3.686779066        -2.256999643        -1.865197263    
O          1.899272496        0.6940722804        -1.624326335    
H          2.467097186       -0.9405935409E-01    -1.693481777    
H          1.189404831        0.4018324201       -0.9915756387    
O        -0.9388199521        -1.475517189        -3.782523141    
H         -1.122967936        -1.738845584        -4.684374298    
H        -0.4609979164       -0.6084506555        -3.836577066    
O         -3.317682186        -2.168774734       -0.1857648219E-01
H         -3.277409787        -1.627225035       -0.8567632672    
H         -4.088935917        -2.729785831       -0.9542196962E-01
O          3.264236198        0.6493220632         2.177528537    
H          3.992102416        0.8966247996         2.746730460    
H          3.245953890         1.312379728         1.433590359    
O         -2.926056515         2.082885941         1.268830890    
H         -3.775314010         2.485307724         1.449485533    
H         -2.992284937         1.144398929         1.617333010    
O          2.806432740        -1.935239375         1.281289662    
H          2.986062972        -1.041687424         1.617528083    
H          2.826036110        -1.869177018        0.3110316827    
O        -0.1101519542E-01   -0.9246330700E-01   -0.1145992849E-01
H        -0.7821932918        0.3896164886       -0.3883340866    
H        -0.2265226344        -1.051488465       -0.5110491113E-01
O         0.7744209432        -3.029996208        -2.277273094    
H         0.2102448573        -2.516988820        -2.881910366    
H         0.2625739270        -3.071979497        -1.449963888    
O          3.077414550         2.365465771        0.2101098157    
H          2.367733211         3.011706839        0.3793078545    
H          2.760900325         1.808847354       -0.5252885252    
O         0.5560542233        0.6851918047         2.504430770    
H          1.524660726        0.6571487444         2.562179696    
H         0.3441418089        0.3984258442         1.589995386    
O         -3.088499242       -0.7542108798        -2.204435987    
H         -2.762251424        0.1068528537        -1.890768351    
H         -2.370577679        -1.113349091        -2.754955132    
    63
Energy=    -106.840136292300    
O         0.3721885393        0.8060424805        -3.867448247    
H          1.023760280        0.7316287064        -3.138792847    
H        -0.1304470020         1.604400038        -3.684088570    
O        -0.6112391311         3.093925535         2.360422335    
H         -1.474186745         2.831828966         1.994260543    
H        -0.1695337757         2.245364147         2.575164819    
O         0.1789069971         3.031452674        -1.813377728    
H         0.9259727369         2.423179966        -1.868681551    
H         0.3611778759         3.563795813        -1.017204948    
O         0.9497431676         4.091899108        0.5549191997    
H         0.3370105706         3.716639097         1.258167865    
H          1.106640557         5.003497750        0.7993492765    
O         -3.188298557       -0.3635033893         2.095758029    
H         -2.472309732       -0.6956179613         2.680363631    
H         -3.254347153        -1.001656027         1.367147478    
O         -1.872324042         1.440754708        -1.123425797    
H         -1.232301005         2.120823362        -1.424104748    
H         -2.309377447         1.791298020       -0.3234756883    
O         -1.067936551        -1.257103132         3.498306613    
H        -0.4902084775       -0.4870975094         3.349977046    
H        -0.5649505279        -2.008127365         3.152744032    
O         0.6674240902        -3.108403556         2.277667322    
H          1.470659157        -2.630459547         1.940305091    
H         0.9841669709        -3.937377664         2.635739738    
O        -0.6675745977        -2.675425745       -0.1115762204E-01
H         -1.637275902        -2.632564827        0.7505072795E-01
H        -0.2988187844        -2.942551265        0.8521657938    
O          2.937023207        -1.785707881        -1.502977757    
H          2.123073577        -2.274162701        -1.815660871    
H          3.686798507        -2.256876685        -1.865535662    
O          1.899358849        0.6940716877        -1.624257796    
H          2.467277747       -0.9400332346E-01    -1.693317066    
H          1.189421434        0.4018548193       -0.9916220875    
O        -0.9390383189        -1.475486461        -3.782385430    
H         -1.123229118        -1.738847109        -4.684235698    
H        -0.4611135018       -0.6084654969        -3.836577839    
O         -3.317667583        -2.168824507       -0.1858294677E-01
H         -3.277470471        -1.627209364       -0.8566699726    
H         -4.088743179        -2.730050399       -0.9553042742E-01
O          3.264132843        0.6491924841         2.177634253    
H          3.992027089        0.8965100265         2.746802762    
H          3.245803040         1.312175638         1.433715115    
O         -2.926027873         2.082859017         1.268735450    
H         -3.775253014         2.485382749         1.449395800    
H         -2.992328229         1.144412611         1.617361781    
O          2.806680535        -1.935329418         1.281261422    
H          2.986146278        -1.041790129         1.617574736    
H          2.826187289        -1.869274143        0.3110260328    
O        -0.1097629423E-01   -0.9227233936E-01   -0.1150284191E-01
H        -0.7822610314        0.3896965647       -0.3883382270    
H        -0.2263896201        -1.051320119       -0.5116140959E-01
O         0.7744098042        -3.029890569        -2.277284554    
H         0.2101721803        -2.516756745        -2.881771517    
H         0.2625657479        -3.071979812        -1.450005587    
O          3.077384505         2.365318528        0.2102837759    
H          2.367733131         3.011552136        0.3795373562    
H          2.760977997         1.808805636       -0.5252246310    
O         0.5560822331        0.6852555002         2.504495408    
H          1.524674669        0.6570865632         2.562298669    
H         0.3442011370        0.3986972238         1.589984042    
O         -3.088578302       -0.7541550689        -2.204239451    
H         -2.762331191        0.1069633738        -1.890614948    
H         -2.370734485        -1.113317066        -2.754852200    
    63
Energy=    -106.840136223190    
O         0.3722006816        0.8056284964        -3.867234682    
H          1.023866547        0.7312333244        -3.138708059    
H        -0.1305523310         1.603882319        -3.683726330    
O        -0.6113915822         3.093998290         2.360530259    
H         -1.474204759         2.831827388         1.994199796    
H        -0.1696089732         2.245524529         2.575333873    
O         0.1789364990         3.031413151        -1.813494615    
H         0.9258710198         2.422968214        -1.868706168    
H         0.3612057768         3.563686732        -1.017209774    
O         0.9496254580         4.091786639        0.5548758369    
H         0.3368419511         3.716553858         1.258088574    
H          1.106607712         5.003304441        0.7993765923    
O         -3.188572109       -0.3634108704         2.095659507    
H         -2.472416892       -0.6955702178         2.680074144    
H         -3.254804536        -1.001612664         1.367072079    
O         -1.872313174         1.440945089        -1.123614535    
H         -1.232209836         2.121031844        -1.424233105    
H         -2.309204273         1.791285557       -0.3235636978    
O         -1.068093587        -1.257023117         3.497993088    
H        -0.4903384379       -0.4870087844         3.349778274    
H        -0.5650340707        -2.008017642         3.152436889    
O         0.6676818208        -3.108272451         2.277503420    
H          1.471006708        -2.630443815         1.940183346    
H         0.9843013696        -3.937272862         2.635599867    
O        -0.6674655825        -2.674945228       -0.1109290735E-01
H         -1.637177219        -2.632267501        0.7519821562E-01
H        -0.2986172836        -2.942223942        0.8521611514    
O          2.937150853        -1.785745071        -1.503065165    
H          2.123177250        -2.274162992        -1.815775120    
H          3.686885917        -2.256602151        -1.866118286    
O          1.899443116        0.6940709393        -1.624171670    
H          2.467427913       -0.9398728648E-01    -1.693112429    
H          1.189411812        0.4018735843       -0.9916523603    
O        -0.9392661661        -1.475622548        -3.782296908    
H         -1.123573621        -1.738950010        -4.684142759    
H        -0.4613904691       -0.6085661781        -3.836567958    
O         -3.317676577        -2.168903068       -0.1854162217E-01
H         -3.277516715        -1.627144127       -0.8565442867    
H         -4.088418976        -2.730524672       -0.9578899444E-01
O          3.264007979        0.6490032776         2.177826442    
H          3.991978056        0.8963326479         2.746855270    
H          3.245582498         1.311897032         1.433857616    
O         -2.925978787         2.082794962         1.268584031    
H         -3.775130183         2.485433842         1.449217827    
H         -2.992383363         1.144386879         1.617335670    
O          2.807178225        -1.935553729         1.281282937    
H          2.986346941        -1.041955211         1.617640281    
H          2.826543798        -1.869478641        0.3110391655    
O        -0.1096557904E-01   -0.9195558273E-01   -0.1144516176E-01
H        -0.7823385137        0.3898675692       -0.3883147936    
H        -0.2262407282        -1.051048546       -0.5124636634E-01
O         0.7743561167        -3.029750527        -2.277310991    
H         0.2100936562        -2.516548327        -2.881707344    
H         0.2625453472        -3.071929057        -1.450024052    
O          3.077383071         2.365151655        0.2104598116    
H          2.367599377         3.011321533        0.3798260359    
H          2.760966141         1.808713492       -0.5251162815    
O         0.5561090656        0.6853157804         2.504622705    
H          1.524719937        0.6570336644         2.562437432    
H         0.3442594526        0.3991075076         1.589961874    
O         -3.088654701       -0.7539845100        -2.203892928    
H         -2.762312897        0.1071242734        -1.890392223    
H         -2.370949041        -1.113259580        -2.754690959    
    63
Energy=    -106.840136130850    
O         0.3721056779        0.8052562555        -3.867005495    
H          1.023905585        0.7308788241        -3.138552015    
H        -0.1305813398         1.603536922        -3.683418491    
O        -0.6115034697         3.094093707         2.360656362    
H         -1.474259135         2.831849057         1.994194171    
H        -0.1696808313         2.245667765         2.575478473    
O         0.1790161766         3.031505300        -1.813631803    
H         0.9258829439         2.422952974        -1.868888061    
H         0.3612632293         3.563565774        -1.017256315    
O         0.9494833661         4.091673360        0.5548427550    
H         0.3366709174         3.716521131         1.258020378    
H          1.106582067         5.003178932        0.7994102670    
O         -3.188901625       -0.3633817888         2.095605363    
H         -2.472608316       -0.6955137573         2.679869433    
H         -3.255257092        -1.001584357         1.367050227    
O         -1.872220912         1.441144108        -1.123825899    
H         -1.232106979         2.121267732        -1.424353056    
H         -2.309050532         1.791358441       -0.3236120309    
O         -1.068223145        -1.256985801         3.497728594    
H        -0.4904921374       -0.4869277507         3.349547788    
H        -0.5651008847        -2.007931766         3.152174544    
O         0.6678976186        -3.108159332         2.277335286    
H          1.471346968        -2.630464908         1.940126586    
H         0.9843783090        -3.937189757         2.635491045    
O        -0.6673754744        -2.674503597       -0.1100723966E-01
H         -1.637090407        -2.632007371        0.7531908725E-01
H        -0.2984650518        -2.941943437        0.8521643409    
O          2.937297076        -1.785869286        -1.503115267    
H          2.123298161        -2.274168807        -1.815854542    
H          3.687001161        -2.256340707        -1.866716695    
O          1.899570009        0.6940118402        -1.624114396    
H          2.467526749       -0.9408082409E-01    -1.692932520    
H          1.189421827        0.4018608608       -0.9916483046    
O        -0.9394764576        -1.475795348        -3.782287509    
H         -1.123857873        -1.739064987        -4.684117647    
H        -0.4617176840       -0.6086775021        -3.836538698    
O         -3.317686554        -2.168982778       -0.1847850671E-01
H         -3.277554349        -1.627093466       -0.8564306022    
H         -4.088097043        -2.731035673       -0.9604520478E-01
O          3.263910811        0.6488233674         2.178000904    
H          3.991985595        0.8961760868         2.746917730    
H          3.245427560         1.311713165         1.433975009    
O         -2.925930852         2.082724626         1.268495723    
H         -3.775057399         2.485464077         1.449076117    
H         -2.992453122         1.144347655         1.617310294    
O          2.807710156        -1.935807791         1.281337764    
H          2.986607662        -1.042140107         1.617691966    
H          2.826969309        -1.869720066        0.3110883815    
O        -0.1100477456E-01   -0.9166215136E-01   -0.1136646685E-01
H        -0.7823856950        0.3900503787       -0.3882849190    
H        -0.2261567131        -1.050776294       -0.5131552622E-01
O         0.7743077237        -3.029637006        -2.277329531    
H         0.2100462025        -2.516438633        -2.881752484    
H         0.2625327570        -3.071811537        -1.450019536    
O          3.077306389         2.365076601        0.2105913243    
H          2.367477925         3.011058368        0.3800223667    
H          2.760921687         1.808628858       -0.5249719982    
O         0.5561271633        0.6853613825         2.504713448    
H          1.524734035        0.6570081406         2.562545742    
H         0.3442830709        0.3994774137         1.589953776    
O         -3.088722832       -0.7538423793        -2.203635613    
H         -2.762270191        0.1072602703        -1.890207955    
H         -2.371195916        -1.113196808        -2.754511437    
    63
Energy=    -106.840135533900    
O         0.3712407930        0.8032586609        -3.865815307    
H          1.023423887        0.7289615319        -3.137702304    
H        -0.1310314964         1.601850734        -3.682484927    
O        -0.6122849896         3.094632244         2.361122284    
H         -1.474808401         2.831930333         1.994382896    
H        -0.1702088816         2.246430285         2.576317960    
O         0.1797612805         3.031827336        -1.813991045    
H         0.9265295986         2.423220959        -1.869344053    
H         0.3621122883         3.563760774        -1.017528617    
O         0.9492004171         4.090825396        0.5554583111    
H         0.3358169460         3.716468819         1.258619120    
H          1.106693907         5.002408092        0.7994317503    
O         -3.190725023       -0.3633342970         2.095374218    
H         -2.474100545       -0.6954593803         2.679147780    
H         -3.257368114        -1.001318640         1.366695385    
O         -1.871772936         1.441882775        -1.124307076    
H         -1.231753379         2.122033141        -1.425033203    
H         -2.308471492         1.792225694       -0.3241290819    
O         -1.068911773        -1.256676974         3.496276008    
H        -0.4913791630       -0.4864882721         3.348130581    
H        -0.5655792085        -2.007628096         3.151194247    
O         0.6689931162        -3.107778631         2.276749608    
H          1.473014379        -2.630729295         1.939994179    
H         0.9845889966        -3.937139955         2.634941900    
O        -0.6669680895        -2.672556172       -0.1083085045E-01
H         -1.636661124        -2.629869951        0.7579445917E-01
H        -0.2976386067        -2.940132324        0.8521245582    
O          2.938150587        -1.786298165        -1.503329407    
H          2.124203828        -2.274655720        -1.816043033    
H          3.687950046        -2.254516146        -1.869593208    
O          1.900024711        0.6937740806        -1.623953924    
H          2.467388514       -0.9479921410E-01    -1.692252326    
H          1.189596718        0.4025995583       -0.9913139861    
O        -0.9414401561        -1.477078525        -3.782358060    
H         -1.125070874        -1.740388522        -4.684316540    
H        -0.4634436922       -0.6100340417        -3.836048096    
O         -3.317844792        -2.169424214       -0.1803692280E-01
H         -3.277652675        -1.626860056       -0.8555595187    
H         -4.086381078        -2.733768384       -0.9771658856E-01
O          3.263881157        0.6478741954         2.178727046    
H          3.992148460        0.8953925162         2.747338537    
H          3.244841315         1.310929981         1.434829778    
O         -2.925332125         2.082603875         1.268178812    
H         -3.774347730         2.485750070         1.448359642    
H         -2.992737371         1.144040336         1.616420937    
O          2.810174118        -1.936797733         1.281204131    
H          2.988108307        -1.042896125         1.617426852    
H          2.829924215        -1.870780130        0.3109882964    
O        -0.1093443028E-01   -0.9042065023E-01   -0.1125818274E-01
H        -0.7821194333        0.3912625315       -0.3886265853    
H        -0.2262421415        -1.049584543       -0.5084237578E-01
O         0.7741731221        -3.029057400        -2.277502278    
H         0.2095429534        -2.516717926        -2.882309403    
H         0.2625128480        -3.070700361        -1.450062829    
O          3.076856135         2.364473194        0.2117102816    
H          2.367081459         3.010589005        0.3809389077    
H          2.760607666         1.808275145       -0.5241483157    
O         0.5562724317        0.6864016134         2.504985547    
H          1.524836487        0.6569557123         2.562914757    
H         0.3442610497        0.4006136993         1.590291132    
O         -3.089555097       -0.7531378254        -2.202785255    
H         -2.762160794        0.1076708915        -1.889524227    
H         -2.372475021        -1.113137908        -2.753812891    
    63
Energy=    -106.840135484800    
O         0.3711592698        0.8031648211        -3.865788536    
H          1.023417388        0.7288768895        -3.137703492    
H        -0.1311627085         1.601669354        -3.682326918    
O        -0.6123560712         3.094641542         2.361171206    
H         -1.474832377         2.831892218         1.994337721    
H        -0.1702442800         2.246479684         2.576336224    
O         0.1797307505         3.031851705        -1.813933009    
H         0.9264837911         2.423182957        -1.869262994    
H         0.3621861968         3.563807500        -1.017514191    
O         0.9492269552         4.090752182        0.5554704243    
H         0.3358126414         3.716409465         1.258685636    
H          1.106735903         5.002324423        0.7994387836    
O         -3.190722391       -0.3632597431         2.095297357    
H         -2.474120251       -0.6955028776         2.679085765    
H         -3.257413618        -1.001291587         1.366623514    
O         -1.871767882         1.441875451        -1.124332370    
H         -1.231785799         2.121978473        -1.425071335    
H         -2.308497936         1.792289087       -0.3241031568    
O         -1.069000561        -1.256642274         3.496206574    
H        -0.4913515641       -0.4864400736         3.348090980    
H        -0.5656018060        -2.007634021         3.151156254    
O         0.6690466454        -3.107759437         2.276767359    
H          1.473059649        -2.630749202         1.939964958    
H         0.9846208108        -3.937148033         2.634906517    
O        -0.6669501167        -2.672480808       -0.1087082199E-01
H         -1.636646366        -2.629697605        0.7583610829E-01
H        -0.2975807482        -2.940008172        0.8521106033    
O          2.938122828        -1.786225659        -1.503354727    
H          2.124240504        -2.274720348        -1.816012046    
H          3.687995093        -2.254402009        -1.869649365    
O          1.900005755        0.6938605589        -1.623976876    
H          2.467375540       -0.9480378154E-01    -1.692219626    
H          1.189594037        0.4026989398       -0.9913014860    
O        -0.9415512072        -1.477120744        -3.782288340    
H         -1.125087979        -1.740478056        -4.684296661    
H        -0.4634694934       -0.6101536827        -3.836024821    
O         -3.317854205        -2.169442586       -0.1804984469E-01
H         -3.277653807        -1.626811189       -0.8555363274    
H         -4.086345608        -2.733816930       -0.9781038328E-01
O          3.263891505        0.6478147653         2.178743251    
H          3.992153341        0.8953570235         2.747332934    
H          3.244762466         1.310863548         1.434885265    
O         -2.925289707         2.082563815         1.268087653    
H         -3.774264103         2.485777029         1.448287997    
H         -2.992704332         1.144021557         1.616350453    
O          2.810177724        -1.936771182         1.281154518    
H          2.988119026        -1.042861891         1.617404989    
H          2.830016023        -1.870787430        0.3109319284    
O        -0.1089324103E-01   -0.9038257397E-01   -0.1124166258E-01
H        -0.7820463457        0.3912852069       -0.3886970697    
H        -0.2262381017        -1.049534603       -0.5079753883E-01
O         0.7741374958        -3.029069573        -2.277505050    
H         0.2094817928        -2.516729132        -2.882297166    
H         0.2625241816        -3.070679250        -1.450103953    
O          3.076852659         2.364374607        0.2117654319    
H          2.367121073         3.010629058        0.3810143498    
H          2.760631819         1.808297715       -0.5241008708    
O         0.5562839452        0.6864325118         2.505034492    
H          1.524884145        0.6569618963         2.562934829    
H         0.3442832566        0.4006329328         1.590289267    
O         -3.089530168       -0.7531298425        -2.202695770    
H         -2.762160788        0.1076861686        -1.889515073    
H         -2.372499544        -1.113161186        -2.753812378    
    63
Energy=    -106.840134987820    
O         0.3694385940        0.8016425024        -3.864530508    
H          1.021696563        0.7278602703        -3.136440636    
H        -0.1318373025         1.601093673        -3.682406225    
O        -0.6130570272         3.095093931         2.362173880    
H         -1.475343524         2.832095457         1.994991546    
H        -0.1706600324         2.247075404         2.577021182    
O         0.1809966909         3.032953633        -1.814271220    
H         0.9284780325         2.425327009        -1.870740875    
H         0.3628912292         3.563916723        -1.017023870    
O         0.9491260020         4.090655278        0.5560980760    
H         0.3358912167         3.716528992         1.259473105    
H          1.107023608         5.002192298        0.7999835080    
O         -3.192503109       -0.3633386983         2.095068763    
H         -2.476214133       -0.6952000355         2.679272174    
H         -3.259044317        -1.001754432         1.366810051    
O         -1.871258743         1.442887753        -1.125192094    
H         -1.231026087         2.123023472        -1.425445399    
H         -2.308045266         1.793037757       -0.3249476056    
O         -1.069623812        -1.256492808         3.494660609    
H        -0.4920012634       -0.4861923375         3.346809998    
H        -0.5653627892        -2.007410335         3.150845986    
O         0.6697646310        -3.107262421         2.276710322    
H          1.474268798        -2.631161011         1.939836063    
H         0.9842700706        -3.937344670         2.634203732    
O        -0.6669345199        -2.671131351       -0.1056420143E-01
H         -1.636693374        -2.628886727        0.7623817530E-01
H        -0.2974899650        -2.939099601        0.8522088137    
O          2.939000064        -1.786395211        -1.503839849    
H          2.124933211        -2.274873601        -1.816173458    
H          3.688737214        -2.253304784        -1.871808954    
O          1.900061660        0.6933541217        -1.623787355    
H          2.466736442       -0.9575116528E-01    -1.692298924    
H          1.190009041        0.4028510544       -0.9904014323    
O        -0.9430538679        -1.479361725        -3.782769947    
H         -1.125879441        -1.742105949        -4.685017288    
H        -0.4652556721       -0.6122273381        -3.835376734    
O         -3.317689076        -2.169707703       -0.1820052368E-01
H         -3.278181931        -1.626618985       -0.8555561129    
H         -4.084515122        -2.736248432       -0.9890891052E-01
O          3.264411147        0.6474456613         2.179025370    
H          3.992583560        0.8945689360         2.747943874    
H          3.245696089         1.310763094         1.435358842    
O         -2.925243198         2.082455737         1.267453420    
H         -3.773949002         2.486088342         1.448109472    
H         -2.993065970         1.143957505         1.615745718    
O          2.812101321        -1.937727273         1.281035957    
H          2.989927759        -1.043746067         1.617036898    
H          2.832319234        -1.871894896        0.3108458178    
O        -0.1082781675E-01   -0.8891172030E-01   -0.1040344088E-01
H        -0.7815509179        0.3928490916       -0.3886396437    
H        -0.2260425034        -1.048128580       -0.5025611497E-01
O         0.7744491143        -3.029001444        -2.277407867    
H         0.2094795020        -2.518254946        -2.883241683    
H         0.2630313994        -3.068960500        -1.449718618    
O          3.076710580         2.364527369        0.2122882530    
H          2.366520632         3.010187134        0.3815200583    
H          2.760482617         1.807862580       -0.5231970663    
O         0.5558517013        0.6867681507         2.505295268    
H          1.524358092        0.6573873383         2.563404910    
H         0.3440597759        0.4012579840         1.590422402    
O         -3.090175852       -0.7529315891        -2.202267253    
H         -2.762417359        0.1078662760        -1.889657569    
H         -2.373851493        -1.113390591        -2.753891385    
    63
Energy=    -106.840134795010    
O         0.3690165576        0.8013197778        -3.864247529    
H          1.021274559        0.7277266225        -3.136116535    
H        -0.1323518567         1.600804268        -3.682445712    
O        -0.6131268862         3.095129880         2.362256566    
H         -1.475393408         2.832114403         1.995059207    
H        -0.1707514322         2.247100462         2.577262656    
O         0.1811721426         3.033244625        -1.814246585    
H         0.9288443489         2.425861167        -1.871018617    
H         0.3629792408         3.563957834        -1.016814874    
O         0.9492455949         4.090624405        0.5563983264    
H         0.3359553274         3.716527890         1.259715589    
H          1.107116199         5.002192242        0.8002008600    
O         -3.192840179       -0.3633669179         2.095033118    
H         -2.476446154       -0.6951211682         2.679192630    
H         -3.259213109        -1.001832872         1.366774983    
O         -1.871157937         1.443018850        -1.125457783    
H         -1.230865430         2.123204555        -1.425500583    
H         -2.308015703         1.793022398       -0.3252047071    
O         -1.069703150        -1.256462833         3.494461673    
H        -0.4921310350       -0.4861483081         3.346664501    
H        -0.5653355701        -2.007367157         3.150788548    
O         0.6698639456        -3.107209868         2.276696090    
H          1.474373577        -2.631165414         1.939776066    
H         0.9842516387        -3.937418874         2.633990347    
O        -0.6668971671        -2.670829316       -0.1046990659E-01
H         -1.636679907        -2.628794466        0.7622810967E-01
H        -0.2974858998        -2.938964357        0.8522712683    
O          2.939077342        -1.786360055        -1.503958082    
H          2.125049250        -2.274828038        -1.816297471    
H          3.688824733        -2.253216746        -1.872035852    
O          1.900062794        0.6933967368        -1.623681488    
H          2.466655912       -0.9573481423E-01    -1.692437615    
H          1.190022566        0.4029671306       -0.9902426054    
O        -0.9432228291        -1.479859316        -3.782826587    
H         -1.126038476        -1.742513081        -4.685139198    
H        -0.4655190084       -0.6126548476        -3.835259851    
O         -3.317690816        -2.169695057       -0.1826910723E-01
H         -3.278239829        -1.626669152       -0.8556142759    
H         -4.084225461        -2.736588556       -0.9909392161E-01
O          3.264501515        0.6473703395         2.179077227    
H          3.992662449        0.8944153554         2.748046222    
H          3.245944399         1.310676539         1.435417422    
O         -2.925249662         2.082485118         1.267282853    
H         -3.773882307         2.486193921         1.448070085    
H         -2.993133463         1.144005747         1.615554566    
O          2.812326641        -1.937843043         1.280914768    
H          2.990111007        -1.043856098         1.616948764    
H          2.832475485        -1.871946567        0.3107243263    
O        -0.1077721387E-01   -0.8864392646E-01   -0.1034155886E-01
H        -0.7814987901        0.3931372887       -0.3885432785    
H        -0.2259482292        -1.047852197       -0.5012246086E-01
O         0.7745741490        -3.029026685        -2.277249683    
H         0.2095128693        -2.518627832        -2.883268851    
H         0.2631582271        -3.068810391        -1.449556372    
O          3.076824549         2.364556044        0.2122992812    
H          2.366556648         3.010089135        0.3816897438    
H          2.760535563         1.807817570       -0.5231153047    
O         0.5558454852        0.6869401751         2.505397883    
H          1.524344066        0.6574304327         2.563543935    
H         0.3440437516        0.4013828030         1.590532353    
O         -3.090369992       -0.7528872892        -2.202430561    
H         -2.762444370        0.1078688512        -1.889778140    
H         -2.374056159        -1.113529722        -2.753975387    
    63
Energy=    -106.840134582660    
O         0.3687085016        0.8010906983        -3.864067877    
H          1.021043518        0.7276212331        -3.135965950    
H        -0.1329105386         1.600491256        -3.682369145    
O        -0.6132049130         3.095203592         2.362240022    
H         -1.475448175         2.832048196         1.995048080    
H        -0.1707805924         2.247068495         2.577459309    
O         0.1812141400         3.033480844        -1.814147840    
H         0.9289971909         2.426179944        -1.871117654    
H         0.3630236503         3.563964523        -1.016588522    
O         0.9493895304         4.090548718        0.5566967253    
H         0.3360714833         3.716457462         1.259878851    
H          1.107213178         5.002172608        0.8003852942    
O         -3.193053148       -0.3633134202         2.094956371    
H         -2.476491642       -0.6950971957         2.679072530    
H         -3.259226598        -1.001917921         1.366660868    
O         -1.871161096         1.443089264        -1.125676195    
H         -1.230769210         2.123278818        -1.425535050    
H         -2.308008815         1.792933404       -0.3253730277    
O         -1.069713197        -1.256397517         3.494308187    
H        -0.4921905969       -0.4861461104         3.346623410    
H        -0.5653408634        -2.007320507         3.150767988    
O         0.6699266984        -3.107173681         2.276746306    
H          1.474370867        -2.631151234         1.939691831    
H         0.9842678505        -3.937476409         2.633805646    
O        -0.6668770371        -2.670588072       -0.1041040124E-01
H         -1.636671449        -2.628697471        0.7623004695E-01
H        -0.2974605932        -2.938865467        0.8523034528    
O          2.938992986        -1.786270576        -1.504057665    
H          2.125141290        -2.274778249        -1.816372853    
H          3.688873508        -2.253148495        -1.872055875    
O          1.900047840        0.6934932812        -1.623553744    
H          2.466566362       -0.9561665993E-01    -1.692590252    
H          1.189976106        0.4031152575       -0.9901393572    
O        -0.9433023148        -1.480207739        -3.782784630    
H         -1.126145348        -1.742869497        -4.685201124    
H        -0.4656404307       -0.6129747459        -3.835148448    
O         -3.317743108        -2.169615922       -0.1838076966E-01
H         -3.278245586        -1.626721276       -0.8556425544    
H         -4.084053980        -2.736706747       -0.9922981819E-01
O          3.264560505        0.6472942721         2.179098591    
H          3.992703718        0.8943218783         2.748088167    
H          3.246084867         1.310540064         1.435464577    
O         -2.925257251         2.082515612         1.267068237    
H         -3.773774256         2.486284305         1.448012386    
H         -2.993089115         1.144080746         1.615380578    
O          2.812369708        -1.937851090         1.280752600    
H          2.990128285        -1.043861833         1.616864064    
H          2.832472052        -1.871891378        0.3105635807    
O        -0.1069419025E-01   -0.8850222274E-01   -0.1035223394E-01
H        -0.7814256932        0.3932990021       -0.3884739101    
H        -0.2258129573        -1.047652820       -0.5000213262E-01
O         0.7746680773        -3.029021026        -2.277130400    
H         0.2095110590        -2.518889364        -2.883229678    
H         0.2632502155        -3.068814164        -1.449439184    
O          3.076959768         2.364590838        0.2123038830    
H          2.366651633         3.010046484        0.3818440126    
H          2.760592210         1.807813844       -0.5230804913    
O         0.5558734532        0.6870827807         2.505502327    
H          1.524369231        0.6574471723         2.563675355    
H         0.3440484345        0.4014120510         1.590625757    
O         -3.090512677       -0.7529142412        -2.202561999    
H         -2.762436085        0.1079044727        -1.889851426    
H         -2.374115356        -1.113660462        -2.754079344    
    63
Energy=    -106.840122570970    
O         0.3584129089        0.7903615811        -3.857446171    
H          1.011604942        0.7241478311        -3.129385317    
H        -0.1472102331         1.587968688        -3.679651336    
O        -0.6159884232         3.095742576         2.365610082    
H         -1.475847785         2.830584488         1.994080118    
H        -0.1729128497         2.249512368         2.585281299    
O         0.1797262128         3.038975820        -1.807651190    
H         0.9291494609         2.435068966        -1.875759331    
H         0.3651335258         3.562006906        -1.005890092    
O         0.9573062513         4.086586802        0.5660862427    
H         0.3401322189         3.713749700         1.266473756    
H          1.111775009         4.999205722        0.8082639458    
O         -3.196500101       -0.3607958399         2.088672653    
H         -2.479176315       -0.6908339013         2.672466690    
H         -3.262387261       -0.9992547343         1.360200733    
O         -1.873141582         1.441593918        -1.133056137    
H         -1.232946137         2.123731844        -1.428826043    
H         -2.311985326         1.789499089       -0.3330954166    
O         -1.070905141        -1.254063038         3.490691861    
H        -0.4922644578       -0.4840157896         3.346097612    
H        -0.5663703394        -2.004688317         3.146959634    
O         0.6716562451        -3.106573162         2.276092953    
H          1.473687005        -2.628959088         1.935564430    
H         0.9885779703        -3.939915401         2.623768424    
O        -0.6632275695        -2.664063281       -0.8065074981E-02
H         -1.633197130        -2.620350801        0.7626659498E-01
H        -0.2961040889        -2.932962678        0.8556427311    
O          2.940570916        -1.779642170        -1.511298091    
H          2.126750876        -2.271197178        -1.819283750    
H          3.690624063        -2.251675049        -1.872163713    
O          1.902550817        0.7014482032        -1.623960111    
H          2.467124187       -0.8886964219E-01    -1.695351642    
H          1.194343904        0.4120729125       -0.9881634300    
O        -0.9502978586        -1.493585766        -3.779180737    
H         -1.132269970        -1.755556917        -4.681868685    
H        -0.4719304560       -0.6267605550        -3.830946568    
O         -3.317008348        -2.169680807       -0.2322578118E-01
H         -3.280359559        -1.629211390       -0.8624255419    
H         -4.079066880        -2.742643036       -0.1035565618    
O          3.267402743        0.6417865926         2.181590082    
H          3.993425904        0.8898381846         2.752821068    
H          3.250327629         1.305033314         1.437641865    
O         -2.925588520         2.084608479         1.261793766    
H         -3.771102244         2.492805745         1.447129781    
H         -2.996332110         1.146591853         1.610538516    
O          2.808408615        -1.935871581         1.271189151    
H          2.988497307        -1.044217260         1.611917628    
H          2.830416826        -1.865324455        0.3012817063    
O        -0.7647358785E-02   -0.8140487341E-01   -0.8489741349E-02
H        -0.7787896706        0.3976204160       -0.3889520305    
H        -0.2203509755        -1.041160453       -0.4852973582E-01
O         0.7775376682        -3.032092921        -2.272033519    
H         0.2077729252        -2.525967325        -2.877218767    
H         0.2690626904        -3.071849149        -1.442514735    
O          3.086494542         2.362084480        0.2178758376    
H          2.378137201         3.008331666        0.3918382157    
H          2.767367053         1.810545151       -0.5202410427    
O         0.5590478165        0.6907614928         2.511297127    
H          1.527426796        0.6576935454         2.569703627    
H         0.3467952792        0.4087362553         1.595635577    
O         -3.098576505       -0.7571104978        -2.210091512    
H         -2.769088558        0.1033914236        -1.898911115    
H         -2.382162651        -1.121031354        -2.759731302    
    63
Energy=    -106.840116149720    
O         0.3545309583        0.7858905805        -3.854087988    
H          1.011364471        0.7226900355        -3.129045138    
H        -0.1539208118         1.581101917        -3.673784105    
O        -0.6165166525         3.095836602         2.367288931    
H         -1.474421469         2.831417116         1.991099908    
H        -0.1748086441         2.248527936         2.586502266    
O         0.1762146704         3.040066668        -1.803639761    
H         0.9260921993         2.437249596        -1.876493099    
H         0.3636564492         3.560055089        -1.000183257    
O         0.9608432345         4.082894261        0.5699709997    
H         0.3428588688         3.711206396         1.270412681    
H          1.114722969         4.995981047        0.8107120811    
O         -3.195058585       -0.3591701170         2.085330145    
H         -2.477972284       -0.6904228331         2.668769158    
H         -3.260763365       -0.9978025347         1.357160028    
O         -1.873894802         1.437367104        -1.134725937    
H         -1.236149772         2.121937236        -1.429732177    
H         -2.315510670         1.785404067       -0.3363540569    
O         -1.073840143        -1.252276997         3.485022667    
H        -0.4936488360       -0.4824948348         3.344160471    
H        -0.5659880225        -2.003967606         3.148765853    
O         0.6724851708        -3.105765780         2.276692428    
H          1.473630659        -2.628513153         1.933400466    
H         0.9897012345        -3.940828803         2.619765832    
O        -0.6626066056        -2.659652834       -0.7189000994E-02
H         -1.632667986        -2.617339978        0.7608072754E-01
H        -0.2965032630        -2.930251538        0.8561690823    
O          2.939296840        -1.776068595        -1.514189977    
H          2.126597846        -2.268856159        -1.823304853    
H          3.690833034        -2.249189475        -1.870385547    
O          1.903270338        0.7055603707        -1.624670287    
H          2.467641116       -0.8456409315E-01    -1.697357998    
H          1.195562084        0.4171924817       -0.9877068515    
O        -0.9510192248        -1.499116369        -3.776633152    
H         -1.133423238        -1.762189817        -4.678901287    
H        -0.4743534548       -0.6312492423        -3.828088442    
O         -3.315413177        -2.170027550       -0.2536051877E-01
H         -3.281847859        -1.628661685       -0.8640768910    
H         -4.077112916        -2.743650074       -0.1040648603    
O          3.267445352        0.6412995226         2.184086712    
H          3.994484667        0.8863674188         2.755321425    
H          3.254172677         1.304427514         1.440032362    
O         -2.924675554         2.085854854         1.257848187    
H         -3.768812782         2.495394706         1.446301601    
H         -2.996155511         1.147228274         1.605387347    
O          2.806067559        -1.934300254         1.266784939    
H          2.987398001        -1.043159702         1.608623086    
H          2.825474262        -1.862459677        0.2968049640    
O        -0.5151107865E-02   -0.7787710806E-01   -0.7319892200E-02
H        -0.7766427129        0.3994067201       -0.3892935687    
H        -0.2182867891        -1.037626522       -0.4680005264E-01
O         0.7781318600        -3.034933768        -2.269583901    
H         0.2088782309        -2.530568255        -2.876551320    
H         0.2698245394        -3.070038373        -1.439631408    
O          3.091176948         2.361274659        0.2201431141    
H          2.382897754         3.007185500        0.3959721313    
H          2.770982254         1.811743596       -0.5188473702    
O         0.5599449928        0.6915318972         2.513203681    
H          1.528606975        0.6581468920         2.571562373    
H         0.3478735040        0.4105321839         1.597175586    
O         -3.102329122       -0.7569635851        -2.212952409    
H         -2.771350509        0.1033177089        -1.902063833    
H         -2.385304746        -1.123345036        -2.760022811    
    63
Energy=    -106.840112037650    
O         0.3474471913        0.7841136492        -3.849542060    
H          1.006306868        0.7229053344        -3.125957432    
H        -0.1671199171         1.574865642        -3.666018889    
O        -0.6171671883         3.094456047         2.368296515    
H         -1.474472859         2.830937121         1.989358018    
H        -0.1755507141         2.247672835         2.587701741    
O         0.1746387268         3.042781545        -1.800632181    
H         0.9263056122         2.443113398        -1.877938833    
H         0.3634868011         3.561191043       -0.9967833691    
O         0.9634562292         4.080751567        0.5738964707    
H         0.3440688431         3.709655625         1.273710327    
H          1.117956645         4.993890075        0.8140455272    
O         -3.193671327       -0.3585519486         2.082211200    
H         -2.476938031       -0.6906805080         2.666430278    
H         -3.259855978       -0.9975395720         1.354599824    
O         -1.872887212         1.437734391        -1.137546078    
H         -1.234081316         2.122350097        -1.430778059    
H         -2.315844060         1.784325296       -0.3391946040    
O         -1.074161206        -1.252357138         3.484344440    
H        -0.4945267846       -0.4827698714         3.343191114    
H        -0.5666262122        -2.004395301         3.149128962    
O         0.6725577153        -3.105942587         2.276624265    
H          1.473617650        -2.628142344         1.933961476    
H         0.9895743175        -3.941694327         2.618341518    
O        -0.6625923399        -2.655894504       -0.6985797649E-02
H         -1.632872553        -2.615571412        0.7494454000E-01
H        -0.2968332768        -2.927668025        0.8568987267    
O          2.937208810        -1.773598674        -1.515709602    
H          2.125501391        -2.268790183        -1.824189772    
H          3.689830237        -2.246492147        -1.870142270    
O          1.901738782        0.7086412152        -1.626333069    
H          2.466870529       -0.8120311210E-01    -1.699117671    
H          1.195814783        0.4199653412       -0.9873007580    
O        -0.9500817962        -1.505865161        -3.776002507    
H         -1.131407158        -1.767307905        -4.678953200    
H        -0.4753762248       -0.6369309036        -3.826353454    
O         -3.315555828        -2.169740653       -0.2728727960E-01
H         -3.282059404        -1.627699448       -0.8657221517    
H         -4.077245667        -2.743462773       -0.1052014711    
O          3.268387247        0.6414807273         2.185022497    
H          3.997222665        0.8833025709         2.755356943    
H          3.255382559         1.304507857         1.440809722    
O         -2.923373877         2.085857903         1.254410926    
H         -3.767407148         2.495619742         1.442886038    
H         -2.994648972         1.147191771         1.601708388    
O          2.804619159        -1.932735060         1.265312066    
H          2.986109884        -1.042114655         1.607813642    
H          2.821933934        -1.860615280        0.2955150473    
O        -0.4092966792E-02   -0.7484648903E-01   -0.6063118346E-02
H        -0.7752746887        0.4021612078       -0.3889595792    
H        -0.2162589842        -1.034775060       -0.4469655786E-01
O         0.7785013667        -3.038842834        -2.267817882    
H         0.2099079819        -2.536536654        -2.876499223    
H         0.2703296840        -3.069233389        -1.437601180    
O          3.093387721         2.361087008        0.2200114615    
H          2.384998690         3.006612319        0.3965170653    
H          2.773788783         1.811706928       -0.5195337631    
O         0.5604783813        0.6912611952         2.514046456    
H          1.529348661        0.6590122244         2.572722582    
H         0.3491151505        0.4111417069         1.597819227    
O         -3.101440380       -0.7561979061        -2.214522496    
H         -2.769128589        0.1035171377        -1.904018843    
H         -2.384829239        -1.124857092        -2.760724377    
    63
Energy=    -106.840099731350    
O         0.3399721014        0.7813295476        -3.844795648    
H          1.002212927        0.7230246056        -3.124096191    
H        -0.1771824925         1.569357027        -3.658330934    
O        -0.6185242396         3.093723413         2.369590733    
H         -1.474810461         2.829200817         1.989091901    
H        -0.1770780204         2.246314464         2.588455918    
O         0.1719959084         3.041878099        -1.797683891    
H         0.9244225628         2.443427729        -1.876064604    
H         0.3595290952         3.558300233       -0.9921249832    
O         0.9659485961         4.077572038        0.5764391942    
H         0.3469743047         3.707731946         1.277196361    
H          1.123507726         4.990171217        0.8165383812    
O         -3.191227228       -0.3571261228         2.076410500    
H         -2.477024268       -0.6904303827         2.662110095    
H         -3.258546152       -0.9965290357         1.348989204    
O         -1.873955141         1.434998010        -1.139824624    
H         -1.233593675         2.119184928        -1.431271837    
H         -2.317356635         1.782747842       -0.3422480912    
O         -1.074088365        -1.253124336         3.485789513    
H        -0.4947131701       -0.4836832106         3.340370085    
H        -0.5681913241        -2.005451940         3.147859339    
O         0.6728845772        -3.106178434         2.276800674    
H          1.474281751        -2.627362718         1.936343327    
H         0.9897075888        -3.942546709         2.616914318    
O        -0.6605811569        -2.649375476       -0.6321998546E-02
H         -1.631352240        -2.612200779        0.7100623981E-01
H        -0.2974924836        -2.923041173        0.8574339279    
O          2.934208833        -1.769299682        -1.519541084    
H          2.123818015        -2.268172040        -1.825122771    
H          3.687878842        -2.241308538        -1.872674786    
O          1.903829901        0.7132059681        -1.626752285    
H          2.468991748       -0.7621510989E-01    -1.701434540    
H          1.197880373        0.4236440496       -0.9885926509    
O        -0.9505115565        -1.512076247        -3.774135359    
H         -1.129149261        -1.773190018        -4.677747635    
H        -0.4748213770       -0.6433515957        -3.822150201    
O         -3.316497542        -2.168081994       -0.2879320089E-01
H         -3.285406275        -1.627316583       -0.8682323821    
H         -4.076856304        -2.743873149       -0.1051661055    
O          3.269502728        0.6408188794         2.188342871    
H          4.000802060        0.8777296601         2.757572936    
H          3.257823986         1.306107330         1.446320646    
O         -2.921289364         2.088136796         1.252000519    
H         -3.766424291         2.496454745         1.438850020    
H         -2.991595501         1.149463944         1.599411364    
O          2.802137119        -1.929931567         1.263165212    
H          2.984846150        -1.039560409         1.606315470    
H          2.816957592        -1.856434779        0.2932710624    
O        -0.2143099454E-02   -0.7048230698E-01   -0.5710293590E-02
H        -0.7753131625        0.4040972194       -0.3877175554    
H        -0.2141974545        -1.030642586       -0.4191801358E-01
O         0.7792650292        -3.042795806        -2.265832407    
H         0.2104894305        -2.544230565        -2.878047544    
H         0.2713544412        -3.066138820        -1.434963985    
O          3.097615306         2.361010078        0.2220812991    
H          2.387286231         3.005457897        0.3956403835    
H          2.781004610         1.812270759       -0.5189669515    
O         0.5605722364        0.6917315928         2.512654462    
H          1.528859562        0.6603054973         2.574004300    
H         0.3520261583        0.4124063274         1.595060201    
O         -3.103673624       -0.7572389551        -2.215300471    
H         -2.770916325        0.1026465114        -1.905175221    
H         -2.387564198        -1.126300504        -2.761782733    
    63
Energy=    -106.840097667140    
O         0.3382638641        0.7810972571        -3.843824730    
H          1.000808299        0.7233747768        -3.123447465    
H        -0.1800895935         1.568472831        -3.657189307    
O        -0.6186117050         3.093397982         2.369914111    
H         -1.474784139         2.829104045         1.989144251    
H        -0.1771557578         2.246079970         2.588714926    
O         0.1723379292         3.041977732        -1.797363732    
H         0.9251210954         2.443806436        -1.875536905    
H         0.3596546628         3.558583614       -0.9919419202    
O         0.9663642988         4.077406012        0.5771265345    
H         0.3469592627         3.707635874         1.277637483    
H          1.124236227         4.989957026        0.8173996852    
O         -3.190911673       -0.3570019079         2.075951232    
H         -2.476772522       -0.6904820198         2.661750930    
H         -3.258280461       -0.9965085028         1.348498538    
O         -1.873760145         1.435549612        -1.140443621    
H         -1.232817070         2.119375647        -1.431427684    
H         -2.317140012         1.782858196       -0.3426722694    
O         -1.073971751        -1.253302273         3.485842042    
H        -0.4946821297       -0.4840269918         3.340462171    
H        -0.5684210933        -2.005787561         3.147812216    
O         0.6727383726        -3.106186496         2.276766014    
H          1.474064866        -2.627290986         1.936511821    
H         0.9896087329        -3.942716690         2.616994877    
O        -0.6603858450        -2.648662053       -0.6271394189E-02
H         -1.631399458        -2.611823013        0.7080009608E-01
H        -0.2974931918        -2.922672802        0.8575824012    
O          2.933817224        -1.768720390        -1.519758097    
H          2.123474452        -2.268071953        -1.824893112    
H          3.687513646        -2.240394114        -1.873201666    
O          1.903635033        0.7137159845        -1.627415907    
H          2.468735459       -0.7588621832E-01    -1.701788151    
H          1.197983122        0.4243392431       -0.9885437836    
O        -0.9503926757        -1.513413684        -3.774318591    
H         -1.128591390        -1.774130661        -4.678103175    
H        -0.4751350619       -0.6445699777        -3.821902785    
O         -3.316807564        -2.167899139       -0.2916553622E-01
H         -3.285428642        -1.627368040       -0.8688976742    
H         -4.077108597        -2.743660238       -0.1054519703    
O          3.269665189        0.6410872028         2.188582910    
H          4.001565394        0.8772326458         2.757264469    
H          3.257908776         1.306204661         1.446399621    
O         -2.920938014         2.088356615         1.251946024    
H         -3.766465487         2.496248672         1.437819853    
H         -2.991345664         1.149483106         1.598754175    
O          2.801799384        -1.929404262         1.263162317    
H          2.984556820        -1.039274647         1.606494588    
H          2.816639806        -1.855997535        0.2934121567    
O        -0.2090951634E-02   -0.7003868655E-01   -0.5585476995E-02
H        -0.7750754128        0.4045850789       -0.3876403455    
H        -0.2138714328        -1.030186464       -0.4198131598E-01
O         0.7792382624        -3.043682963        -2.265642319    
H         0.2105769454        -2.545474084        -2.877979404    
H         0.2715415241        -3.066362743        -1.434730010    
O          3.097877087         2.361105506        0.2220474665    
H          2.387493270         3.005437190        0.3957119499    
H          2.781476248         1.812208671       -0.5190491521    
O         0.5607331998        0.6919173860         2.512716058    
H          1.528769488        0.6602737911         2.574265365    
H         0.3522298544        0.4124922569         1.595034375    
O         -3.103034276       -0.7574157846        -2.215258590    
H         -2.770461173        0.1025023419        -1.905529118    
H         -2.387453803        -1.126696884        -2.762055964    
    63
Energy=    -106.840095757610    
O         0.3351388252        0.7809828296        -3.841817763    
H         0.9980779567        0.7241814105        -3.121838702    
H        -0.1854566833         1.566654913        -3.654221733    
O        -0.6187282536         3.092827088         2.370121232    
H         -1.474712642         2.828754469         1.989154006    
H        -0.1772348784         2.245673789         2.589076989    
O         0.1724046044         3.043752520        -1.797124034    
H         0.9258882456         2.446550888        -1.876687108    
H         0.3596806690         3.559483244       -0.9911125499    
O         0.9668547246         4.077069179        0.5779989757    
H         0.3469156721         3.707379829         1.278177457    
H          1.125278079         4.989439068        0.8187941396    
O         -3.190504499       -0.3570248363         2.075446684    
H         -2.476404434       -0.6906968654         2.661369261    
H         -3.257934609       -0.9966219537         1.347840951    
O         -1.872911077         1.436587244        -1.141373351    
H         -1.231627754         2.120334187        -1.431625488    
H         -2.316490675         1.783388592       -0.3435722002    
O         -1.073920390        -1.253538409         3.485689984    
H        -0.4944123624       -0.4846252840         3.340928673    
H        -0.5686954886        -2.006218749         3.147891681    
O         0.6723137926        -3.105869126         2.276698164    
H          1.473564669        -2.627404080         1.936783090    
H         0.9894139592        -3.943378133         2.617248260    
O        -0.6601862315        -2.647783719       -0.6265319213E-02
H         -1.631501600        -2.611024123        0.7064841026E-01
H        -0.2975650280        -2.922050388        0.8578026227    
O          2.933140889        -1.768367545        -1.519606268    
H          2.122938885        -2.268234390        -1.824444804    
H          3.686983989        -2.239557723        -1.873623791    
O          1.903526871        0.7142484388        -1.628175460    
H          2.468063705       -0.7585264643E-01    -1.702383897    
H          1.198153855        0.4253038816       -0.9883913882    
O        -0.9497118279        -1.515469822        -3.774786475    
H         -1.127336575        -1.775452080        -4.678783856    
H        -0.4754357757       -0.6462455976        -3.821433308    
O         -3.317234631        -2.168092045       -0.2982789466E-01
H         -3.285238744        -1.627291032       -0.8696216797    
H         -4.077565705        -2.743061470       -0.1062363228    
O          3.269992373        0.6414704407         2.188672282    
H          4.002668475        0.8765319832         2.756273773    
H          3.258076813         1.306286276         1.446123465    
O         -2.920555354         2.088192273         1.251171482    
H         -3.766392641         2.495717653         1.436174436    
H         -2.990885076         1.149297462         1.597933768    
O          2.801352853        -1.928841188         1.263324928    
H          2.984154889        -1.038963876         1.606806090    
H          2.816273146        -1.855495385        0.2938592808    
O        -0.1964960257E-02   -0.6937476268E-01   -0.5524684455E-02
H        -0.7747133844        0.4054703180       -0.3874789374    
H        -0.2136445364        -1.029392203       -0.4194556382E-01
O         0.7792318364        -3.045105513        -2.265069243    
H         0.2107577533        -2.547658545        -2.877889054    
H         0.2716870174        -3.066977387        -1.434322148    
O          3.098321811         2.361036149        0.2216599342    
H          2.387862228         3.005202475        0.3955604659    
H          2.781888895         1.812045389       -0.5194927852    
O         0.5611462384        0.6917962946         2.513204999    
H          1.528626479        0.6603172685         2.574719865    
H         0.3524787728        0.4128034557         1.595076787    
O         -3.101713850       -0.7573510781        -2.215721219    
H         -2.769043828        0.1022260153        -1.906018465    
H         -2.386624374        -1.127227466        -2.762307158    
    63
Energy=    -106.840084318380    
O         0.3259276367        0.7806173836        -3.834200234    
H         0.9903823222        0.7269415033        -3.114965353    
H        -0.2007407473         1.561726231        -3.643686785    
O        -0.6181478184         3.091188471         2.369524237    
H         -1.475048947         2.827257629         1.990395511    
H        -0.1770907936         2.243711163         2.590085107    
O         0.1690374451         3.050307066        -1.796919880    
H         0.9250737644         2.456637738        -1.882984833    
H         0.3547736248         3.560030600       -0.9861538098    
O         0.9669215678         4.074932624        0.5776829634    
H         0.3464304282         3.705961244         1.277493892    
H          1.129904172         4.985647557        0.8214664611    
O         -3.188802881       -0.3575710368         2.073100989    
H         -2.475819112       -0.6917004693         2.659988624    
H         -3.256372723       -0.9958823764         1.344840754    
O         -1.870711599         1.438343779        -1.143444659    
H         -1.229603517         2.123165178        -1.432670209    
H         -2.314548941         1.785735137       -0.3459527978    
O         -1.075016973        -1.254086704         3.483159212    
H        -0.4910841244       -0.4867360924         3.342968307    
H        -0.5698241772        -2.008055710         3.148300375    
O         0.6709475141        -3.106941719         2.278681870    
H          1.471798803        -2.627767199         1.937731702    
H         0.9875082678        -3.943944214         2.617660670    
O        -0.6593315481        -2.644652224       -0.6156017686E-02
H         -1.629817460        -2.605261661        0.6915299791E-01
H        -0.2976329166        -2.918448972        0.8582639465    
O          2.931523342        -1.768938300        -1.518523248    
H          2.121233777        -2.268516744        -1.823210187    
H          3.685001193        -2.237711313        -1.876295462    
O          1.906281535        0.7155399494        -1.629080784    
H          2.467225010       -0.7682754064E-01    -1.704588899    
H          1.201816543        0.4292570836       -0.9882599769    
O        -0.9468929114        -1.521125846        -3.774858730    
H         -1.121953918        -1.777324382        -4.680528046    
H        -0.4744592067       -0.6501848864        -3.817898745    
O         -3.317417236        -2.169837587       -0.3248334301E-01
H         -3.285900388        -1.627232713       -0.8705780763    
H         -4.080417130        -2.742055925       -0.1081938451    
O          3.270397011        0.6426619695         2.189622778    
H          4.007170626        0.8726798441         2.754746319    
H          3.259637864         1.306932626         1.446616145    
O         -2.919889867         2.087823028         1.247963389    
H         -3.766607973         2.494304710         1.431267338    
H         -2.988505005         1.149686931         1.597293288    
O          2.799569902        -1.927144417         1.264321013    
H          2.983124560        -1.036905510         1.608004409    
H          2.815699548        -1.852577757        0.2946155259    
O        -0.5116854112E-03   -0.6705984396E-01   -0.7417488451E-02
H        -0.7747328691        0.4083865853       -0.3865716710    
H        -0.2137078080        -1.027157191       -0.4201157545E-01
O         0.7796937091        -3.049547483        -2.263295110    
H         0.2100728862        -2.555013651        -2.878361633    
H         0.2716357256        -3.068289662        -1.432605372    
O          3.101159761         2.360304189        0.2211996315    
H          2.389494930         3.003542653        0.3939823605    
H          2.786342396         1.810769840       -0.5201242011    
O         0.5604700870        0.6897715418         2.513152046    
H          1.528490595        0.6606759904         2.576469944    
H         0.3538754478        0.4160309403         1.593189656    
O         -3.101138248       -0.7574606478        -2.218976050    
H         -2.766339520        0.1003335791        -1.905336716    
H         -2.384042846        -1.128187384        -2.763098242    
    63
Energy=    -106.840080549480    
O         0.3265573440        0.7806232655        -3.834432606    
H         0.9911372143        0.7267072538        -3.115315563    
H        -0.1989621577         1.562591340        -3.644210243    
O        -0.6179121850         3.091402737         2.369342880    
H         -1.475121208         2.827450682         1.990833309    
H        -0.1769610680         2.243679836         2.590040925    
O         0.1686457282         3.049427424        -1.796987327    
H         0.9244276503         2.455282837        -1.882478038    
H         0.3540403721         3.559061217       -0.9860032772    
O         0.9665420592         4.074838340        0.5770073180    
H         0.3463089049         3.705914591         1.276982260    
H          1.130141914         4.985353272        0.8209825832    
O         -3.188686155       -0.3574872999         2.073004157    
H         -2.475987026       -0.6916755031         2.659861872    
H         -3.256244339       -0.9955710737         1.344625980    
O         -1.871230093         1.437850654        -1.143070223    
H         -1.230286587         2.122630190        -1.432741598    
H         -2.314793963         1.785785641       -0.3455962961    
O         -1.075258804        -1.253932615         3.482800655    
H        -0.4907130851       -0.4867893711         3.342934349    
H        -0.5698229525        -2.008168909         3.148242745    
O         0.6708892916        -3.106599301         2.278754925    
H          1.471697494        -2.627802398         1.937770656    
H         0.9876338227        -3.944152456         2.617845804    
O        -0.6591835187        -2.644698968       -0.6101875278E-02
H         -1.629445267        -2.604753491        0.6896408894E-01
H        -0.2976404127        -2.918234706        0.8581116410    
O          2.931563144        -1.769019919        -1.518512819    
H          2.121265040        -2.268244906        -1.823374286    
H          3.684986023        -2.237594631        -1.876910405    
O          1.907033239        0.7155038249        -1.628723071    
H          2.467727863       -0.7685538834E-01    -1.704622778    
H          1.202375233        0.4293776100       -0.9884807846    
O        -0.9470891371        -1.520739538        -3.774516765    
H         -1.122049444        -1.776890048        -4.680264104    
H        -0.4743469054       -0.6497260807        -3.817505186    
O         -3.317383679        -2.170263763       -0.3244813354E-01
H         -3.286284340        -1.627397866       -0.8703395546    
H         -4.080343492        -2.742187806       -0.1077707215    
O          3.270369305        0.6426318526         2.190085988    
H          4.007116458        0.8723904146         2.755207243    
H          3.259846694         1.307123637         1.447240134    
O         -2.920056536         2.088072330         1.248094367    
H         -3.766855140         2.494520461         1.431539891    
H         -2.988384566         1.150049721         1.597857792    
O          2.799489285        -1.927118046         1.264276868    
H          2.983221893        -1.036590885         1.608023504    
H          2.815793907        -1.852230402        0.2944099012    
O        -0.2536435677E-03   -0.6705149158E-01   -0.7908147403E-02
H        -0.7750257761        0.4082174899       -0.3866093225    
H        -0.2137555910        -1.027321205       -0.4217616685E-01
O         0.7797678159        -3.049186215        -2.263541099    
H         0.2098584220        -2.554845767        -2.878493696    
H         0.2715759440        -3.068050161        -1.432564674    
O          3.101389519         2.360313434        0.2216496795    
H          2.389536698         3.003496687        0.3939087843    
H          2.787062728         1.810799104       -0.5196883641    
O         0.5599017958        0.6894623927         2.512675863    
H          1.528614230        0.6606811900         2.576491425    
H         0.3539969910        0.4164451698         1.592691520    
O         -3.102212508       -0.7576913854        -2.219383949    
H         -2.767189715        0.1000561459        -1.904932160    
H         -2.384523627        -1.128111547        -2.763046395    
    63
Energy=    -106.840076287780    
O         0.3206727449        0.7806218975        -3.831118898    
H         0.9874003852        0.7277824066        -3.114319576    
H        -0.2042145765         1.562214892        -3.639840009    
O        -0.6170184283         3.091227623         2.370415872    
H         -1.474854196         2.828536541         1.992673658    
H        -0.1764543195         2.243696770         2.590351420    
O         0.1696648532         3.048095047        -1.796071314    
H         0.9257251391         2.454654681        -1.880693398    
H         0.3547270407         3.558347185       -0.9856647633    
O         0.9664177926         4.074115802        0.5772772682    
H         0.3455918013         3.705173540         1.276930725    
H          1.132963364         4.983493829        0.8233414585    
O         -3.187612494       -0.3567258038         2.071548370    
H         -2.474636112       -0.6916310411         2.658351961    
H         -3.254801864       -0.9951624093         1.343233232    
O         -1.871872098         1.438650737        -1.143508321    
H         -1.230669940         2.122828540        -1.433896693    
H         -2.314257688         1.787413886       -0.3458493677    
O         -1.075259804        -1.254691482         3.482247695    
H        -0.4904484853       -0.4883996192         3.342705039    
H        -0.5705131249        -2.009210550         3.148281943    
O         0.6700680231        -3.107277990         2.279195344    
H          1.470534218        -2.627706578         1.938081485    
H         0.9872698753        -3.943814788         2.618346892    
O        -0.6588530532        -2.642737236       -0.6484415162E-02
H         -1.629682065        -2.602844306        0.6932480719E-01
H        -0.2979979242        -2.916929083        0.8582517502    
O          2.930162499        -1.767769870        -1.518677603    
H          2.119942251        -2.267965006        -1.823108866    
H          3.683338318        -2.234074669        -1.880777124    
O          1.908487979        0.7175038720        -1.629319216    
H          2.467427043       -0.7648601607E-01    -1.706409613    
H          1.203070818        0.4315500846       -0.9887836841    
O        -0.9467789854        -1.524407632        -3.775143577    
H         -1.120256475        -1.779477798        -4.681356183    
H        -0.4767046708       -0.6523703928        -3.815220152    
O         -3.317226234        -2.171167743       -0.3357049402E-01
H         -3.286538444        -1.629083915       -0.8719275105    
H         -4.081795379        -2.741848958       -0.1077730090    
O          3.270762098        0.6431702038         2.191549597    
H          4.010152157        0.8709960739         2.754006035    
H          3.260729078         1.308061960         1.449095292    
O         -2.920165136         2.088642999         1.247254494    
H         -3.767971743         2.493788401         1.428460961    
H         -2.987712587         1.150817395         1.597421456    
O          2.798187638        -1.924869743         1.265077466    
H          2.981772858        -1.035222361         1.609226917    
H          2.815432739        -1.850418455        0.2955925308    
O         0.5125668245E-03   -0.6502110448E-01   -0.9117575124E-02
H        -0.7738208811        0.4095620450       -0.3881110525    
H        -0.2117572000        -1.025069580       -0.4372671977E-01
O         0.7800859564        -3.051016017        -2.262622083    
H         0.2098794183        -2.558609505        -2.878438065    
H         0.2720181571        -3.070103981        -1.431944951    
O          3.102865312         2.360578984        0.2227295360    
H          2.390260307         3.003138810        0.3942132692    
H          2.789480791         1.811183185       -0.5192406046    
O         0.5605431708        0.6885289851         2.513252869    
H          1.528150410        0.6604035727         2.577063461    
H         0.3543877131        0.4169618225         1.592564206    
O         -3.101721491       -0.7579636895        -2.221419639    
H         -2.766324464        0.9889799366E-01    -1.906467057    
H         -2.384253551        -1.129804843        -2.763955990    
    63
Energy=    -106.840021946640    
O         0.2785798666        0.7813639436        -3.804105900    
H         0.9577372053        0.7356200995        -3.098249213    
H        -0.2567429838         1.552105531        -3.598589717    
O        -0.6150413787         3.089706898         2.375418216    
H         -1.473989569         2.830139291         1.997455186    
H        -0.1755679565         2.241618045         2.594817090    
O         0.1736474007         3.065866595        -1.797190816    
H         0.9367874509         2.483866095        -1.897979322    
H         0.3619990563         3.571617712       -0.9847703330    
O         0.9715578624         4.068260874        0.5847580901    
H         0.3470165433         3.698770551         1.281140734    
H          1.144925274         4.974531409        0.8377393753    
O         -3.179491803       -0.3574875513         2.064631690    
H         -2.467775060       -0.6918233833         2.653401276    
H         -3.249781580       -0.9986831592         1.339021967    
O         -1.867951565         1.448632651        -1.152870316    
H         -1.228888352         2.137286039        -1.437063289    
H         -2.310144372         1.788945886       -0.3509182709    
O         -1.075815855        -1.260205519         3.484607962    
H        -0.4931587481       -0.4933624422         3.341253756    
H        -0.5722464388        -2.015057960         3.149016751    
O         0.6651773591        -3.111407149         2.277114770    
H          1.465287673        -2.627604740         1.941319931    
H         0.9853139139        -3.945006348         2.621468184    
O        -0.6606696538        -2.631133573       -0.5409094855E-02
H         -1.631951374        -2.599781897        0.7043996162E-01
H        -0.2992856644        -2.910984808        0.8566741587    
O          2.922899820        -1.766700942        -1.518722450    
H          2.115343837        -2.274791389        -1.816711488    
H          3.676194051        -2.221571456        -1.892817554    
O          1.906515109        0.7234152225        -1.635181677    
H          2.461444877       -0.7353479957E-01    -1.713482345    
H          1.205750395        0.4434400739       -0.9873266672    
O        -0.9425890361        -1.546472302        -3.780051792    
H         -1.105537767        -1.794437754        -4.691218532    
H        -0.4854191772       -0.6668791816        -3.807895112    
O         -3.321046726        -2.170994777       -0.3997062068E-01
H         -3.281434653        -1.634277675       -0.8812004355    
H         -4.088909631        -2.737367934       -0.1135682372    
O          3.276066008        0.6467060260         2.192103206    
H          4.028078336        0.8669745649         2.740702672    
H          3.263178954         1.309755416         1.447905857    
O         -2.918901744         2.088496541         1.242370185    
H         -3.773215262         2.487282360         1.408795728    
H         -2.985908384         1.148851879         1.587676447    
O          2.791009358        -1.919304426         1.274042804    
H          2.972000366        -1.028388691         1.617687798    
H          2.812754811        -1.847571851        0.3049111717    
O         0.5979352320E-02   -0.5270508403E-01   -0.1042296142E-01
H        -0.7639500975        0.4224848777       -0.3977796820    
H        -0.2049850841        -1.013080295       -0.4969901090E-01
O         0.7795993237        -3.071940583        -2.255970003    
H         0.2131998028        -2.577794360        -2.873853817    
H         0.2698817298        -3.085167098        -1.425886667    
O          3.107403174         2.360032062        0.2200860156    
H          2.393077197         2.999562482        0.3965887122    
H          2.793642472         1.812414593       -0.5228228183    
O         0.5636122943        0.6850196073         2.519414575    
H          1.531616184        0.6599320585         2.581662701    
H         0.3547217259        0.4129758226         1.599677917    
O         -3.085515265       -0.7595426553        -2.227054898    
H         -2.746693403        0.9893533623E-01    -1.920480199    
H         -2.372879096        -1.138791158        -2.771132166    
    63
Energy=    -106.839941461120    
O         0.2349566449        0.7871756363        -3.788566141    
H         0.9237005819        0.7315776000        -3.092852286    
H        -0.3075381577         1.544362634        -3.553196113    
O        -0.6196397194         3.082951736         2.384883041    
H         -1.472590422         2.826045827         1.993977944    
H        -0.1831030282         2.233661693         2.606955326    
O         0.1901498149         3.095785885        -1.800583010    
H         0.9501797474         2.514341987        -1.923079230    
H         0.3913137121         3.587428841       -0.9830994788    
O         0.9823065031         4.072444582        0.6024083895    
H         0.3565536423         3.698675524         1.293998174    
H          1.151885762         4.979297394        0.8578545212    
O         -3.178494055       -0.3620676551         2.062151403    
H         -2.466715361       -0.6968151941         2.650312986    
H         -3.246782526        -1.001451708         1.334864631    
O         -1.849222422         1.462037304        -1.162441970    
H         -1.215873683         2.161965681        -1.430341968    
H         -2.307559327         1.790786406       -0.3636162943    
O         -1.076518940        -1.263862294         3.489166947    
H        -0.4944550474       -0.4953336908         3.353072695    
H        -0.5707979620        -2.016250980         3.148674198    
O         0.6634998678        -3.114377120         2.278364730    
H          1.463384202        -2.629756079         1.942584016    
H         0.9843642876        -3.947765377         2.621248264    
O        -0.6626011463        -2.631228727       -0.7435995804E-02
H         -1.633692858        -2.601888685        0.6656729733E-01
H        -0.3009647956        -2.911414466        0.8547268701    
O          2.910982363        -1.763061890        -1.514322911    
H          2.109731317        -2.284633322        -1.807203027    
H          3.669928525        -2.206703797        -1.890661335    
O          1.899019668        0.7279486410        -1.643845755    
H          2.455264304       -0.6839640684E-01    -1.716742617    
H          1.200870008        0.4515717580       -0.9929742464    
O        -0.9306286561        -1.573374081        -3.789124828    
H         -1.099298040        -1.821289963        -4.697781325    
H        -0.4987341334       -0.6806844809        -3.815897641    
O         -3.322584627        -2.170393239       -0.4577665104E-01
H         -3.275598997        -1.624768267       -0.8810337680    
H         -4.093611102        -2.728660689       -0.1293362169    
O          3.277411585        0.6506895453         2.185458211    
H          4.038189989        0.8696087702         2.723033836    
H          3.262554707         1.307833246         1.436455411    
O         -2.916986925         2.082148896         1.225865169    
H         -3.770661353         2.480632566         1.391020544    
H         -2.979406104         1.145363066         1.579688317    
O          2.789119049        -1.918866776         1.278007000    
H          2.972789745        -1.027291038         1.618256639    
H          2.802168912        -1.848440415        0.3081282114    
O         0.3848727599E-02   -0.4867644357E-01   -0.3772770159E-02
H        -0.7621843376        0.4320666241       -0.3927717725    
H        -0.2118438366        -1.007382977       -0.4289089373E-01
O         0.7812511754        -3.086671738        -2.246573593    
H         0.2172691935        -2.599861103        -2.872372475    
H         0.2673291339        -3.092502458        -1.418943159    
O          3.103477020         2.360978953        0.2123579551    
H          2.393971970         3.002220983        0.4003438913    
H          2.779331976         1.817063787       -0.5303957705    
O         0.5662981104        0.6850964523         2.526271628    
H          1.533957279        0.6619775020         2.591321321    
H         0.3605043340        0.4134354943         1.605766493    
O         -3.064927174       -0.7628519404        -2.232365924    
H         -2.720237352        0.9589048939E-01    -1.935303355    
H         -2.357800669        -1.155584902        -2.774974055    
    63
Energy=    -106.839878452550    
O         0.2033844137        0.7844927328        -3.777977130    
H         0.8993143083        0.7352979689        -3.088974641    
H        -0.3585645416         1.523556756        -3.529957936    
O        -0.6233203441         3.078722330         2.383414948    
H         -1.471736516         2.816570952         1.983839244    
H        -0.1865848013         2.230729376         2.609369747    
O         0.2013961991         3.124718149        -1.793309470    
H         0.9602257483         2.549078523        -1.942498073    
H         0.4122568309         3.602983011       -0.9692917674    
O         0.9849783698         4.079214666        0.6196322284    
H         0.3568973172         3.703478549         1.309098756    
H          1.150835485         4.984903266        0.8789267989    
O         -3.178441127       -0.3637958000         2.063254770    
H         -2.467640184       -0.6999850633         2.651590241    
H         -3.249653002        -1.003983564         1.336928222    
O         -1.830506458         1.476884460        -1.173180813    
H         -1.190349120         2.174979456        -1.430044122    
H         -2.296399723         1.802975198       -0.3794451355    
O         -1.076137458        -1.264899505         3.492097800    
H        -0.4921968522       -0.4967521778         3.363724189    
H        -0.5695766958        -2.014987640         3.149800972    
O         0.6626879574        -3.114118022         2.277251750    
H          1.463942940        -2.630696353         1.942791057    
H         0.9805324271        -3.949932756         2.617935388    
O        -0.6655128792        -2.631641348       -0.3683006883E-02
H         -1.636295221        -2.606381877        0.6901715745E-01
H        -0.3052744806        -2.915211133        0.8579017817    
O          2.903941473        -1.759057728        -1.506698050    
H          2.105176198        -2.281426457        -1.803637195    
H          3.666794616        -2.204543117        -1.874841176    
O          1.883386265        0.7265490919        -1.648556857    
H          2.439748566       -0.6976450515E-01    -1.720533510    
H          1.189028496        0.4498422598       -0.9929633915    
O        -0.9272695309        -1.589262124        -3.796803283    
H         -1.094199073        -1.841398468        -4.705151778    
H        -0.4987907062       -0.6953533354        -3.827007194    
O         -3.324180884        -2.164538624       -0.5014447319E-01
H         -3.267222921        -1.620322903       -0.8850619550    
H         -4.096204541        -2.721972423       -0.1441523113    
O          3.278083193        0.6503172087         2.174073444    
H          4.038996873        0.8726150284         2.709232744    
H          3.256776889         1.306478008         1.423745886    
O         -2.909613694         2.071463030         1.212746193    
H         -3.761937352         2.473221557         1.380517004    
H         -2.979133568         1.136158568         1.569545387    
O          2.789747491        -1.923139196         1.275879835    
H          2.976427147        -1.031879894         1.615535943    
H          2.796651414        -1.849742191        0.3060232632    
O         0.7917187168E-03   -0.4759273416E-01    0.7177554454E-02
H        -0.7621228040        0.4342532516       -0.3836055008    
H        -0.2158142034        -1.006483183       -0.3513288642E-01
O         0.7850574728        -3.098079287        -2.241978476    
H         0.2236406200        -2.617208406        -2.875057011    
H         0.2700287125        -3.092999227        -1.415300830    
O          3.099515042         2.358847098        0.1989631952    
H          2.396750615         3.004383662        0.3973391362    
H          2.763267426         1.819072079       -0.5397082225    
O         0.5690073898        0.6842422548         2.537242864    
H          1.537280001        0.6640965749         2.594665349    
H         0.3628470432        0.4171367367         1.615606776    
O         -3.044881374       -0.7578454614        -2.233792075    
H         -2.692189339        0.1000463695        -1.941811751    
H         -2.341136161        -1.161556065        -2.771060120    
    63
Energy=    -106.839728753090    
O         0.1693634689        0.7777259105        -3.766682576    
H         0.8630813740        0.7506113343        -3.072987188    
H        -0.4356773723         1.477158263        -3.505740232    
O        -0.6346906737         3.074255372         2.374049161    
H         -1.476206641         2.795428658         1.971005901    
H        -0.1832807856         2.236047363         2.606744019    
O         0.2080036903         3.170213293        -1.778637338    
H         0.9754704564         2.620647740        -1.971946446    
H         0.4243689902         3.617189426       -0.9377322026    
O         0.9949567774         4.088298358        0.6425444843    
H         0.3560634693         3.703458685         1.317249811    
H          1.143314164         4.995332510        0.9084325897    
O         -3.180275264       -0.3699874765         2.067335400    
H         -2.467751001       -0.7022401081         2.656191331    
H         -3.256111667        -1.016450277         1.347284281    
O         -1.794864179         1.495461055        -1.193895767    
H         -1.151517717         2.198007896        -1.435483343    
H         -2.269584647         1.814148417       -0.4025390995    
O         -1.076432559        -1.264407701         3.493541455    
H        -0.4913257694       -0.4957547670         3.370873853    
H        -0.5681371411        -2.014204559         3.153790257    
O         0.6616236173        -3.112517112         2.277690428    
H          1.464708627        -2.632716093         1.940929102    
H         0.9761140778        -3.952297602         2.611405519    
O        -0.6690560123        -2.633205698       -0.1229724218E-02
H         -1.639707829        -2.606639184        0.7381268612E-01
H        -0.3052025309        -2.913583330        0.8603038139    
O          2.900190201        -1.755945678        -1.504232276    
H          2.104411376        -2.281818876        -1.803536409    
H          3.667788114        -2.217394604        -1.841224857    
O          1.857051515        0.7258426879        -1.652765254    
H          2.411386410       -0.7073116839E-01    -1.729497435    
H          1.169240401        0.4534307829       -0.9894380147    
O        -0.9150924817        -1.615770413        -3.808207706    
H         -1.087152803        -1.859913143        -4.717799151    
H        -0.4923723181       -0.7181609848        -3.831515729    
O         -3.326601336        -2.160525842       -0.5598903603E-01
H         -3.257007194        -1.611665679       -0.8865154334    
H         -4.099857662        -2.713735469       -0.1614159906    
O          3.278211088        0.6486267892         2.153452356    
H          4.036156973        0.8786050008         2.689541422    
H          3.254091555         1.302314051         1.400847118    
O         -2.901807512         2.057313434         1.193895613    
H         -3.748925697         2.466008602         1.371281859    
H         -2.972698279         1.124046519         1.555066447    
O          2.792433616        -1.933681145         1.275708082    
H          2.974552950        -1.041692600         1.615378828    
H          2.796024741        -1.857708647        0.3056036581    
O        -0.8080867356E-02   -0.5104324052E-01    0.2706561871E-01
H        -0.7633479939        0.4338447632       -0.3742557710    
H        -0.2266540401        -1.009055313       -0.1918853099E-01
O         0.7882290424        -3.105121469        -2.234287282    
H         0.2302162590        -2.633042563        -2.876169039    
H         0.2654597637        -3.097182204        -1.412098839    
O          3.089918645         2.354643033        0.1775475464    
H          2.393670691         3.004408934        0.3840684031    
H          2.741617576         1.813485848       -0.5553037582    
O         0.5763542244        0.6871506950         2.554416507    
H          1.545627700        0.6653459530         2.597199185    
H         0.3560470658        0.4106391525         1.639183814    
O         -3.007716988       -0.7441755485        -2.231788315    
H         -2.653069718        0.1140394529        -1.943947557    
H         -2.309030837        -1.150603884        -2.773880769    
    63
Energy=    -106.839664288190    
O         0.1657079482        0.7745155998        -3.764558099    
H         0.8523755337        0.7553958193        -3.063271771    
H        -0.4584044391         1.456277759        -3.503148381    
O        -0.6349637978         3.068914165         2.373141147    
H         -1.475124512         2.794481189         1.964347172    
H        -0.1877196193         2.230089217         2.612889438    
O         0.2049690320         3.188931835        -1.779358370    
H         0.9802775514         2.655323690        -1.981849086    
H         0.4208357269         3.632884255       -0.9363934252    
O         0.9920977513         4.088385055        0.6388628892    
H         0.3572123068         3.701010970         1.315216183    
H          1.142160807         4.995697919        0.9046011539    
O         -3.181581606       -0.3721028545         2.069036515    
H         -2.468496403       -0.7036205545         2.657697624    
H         -3.257685979        -1.018695668         1.349086713    
O         -1.787916122         1.495640348        -1.193422963    
H         -1.148961120         2.202567169        -1.434515128    
H         -2.269336781         1.812762454       -0.4050844531    
O         -1.075822950        -1.263285661         3.495411910    
H        -0.4911635492       -0.4946827224         3.372087350    
H        -0.5670563316        -2.012641684         3.154771876    
O         0.6613328846        -3.113118990         2.276822248    
H          1.465663978        -2.634132694         1.941700932    
H         0.9742177520        -3.953746528         2.610552327    
O        -0.6697370195        -2.631104093       -0.2065881153E-03
H         -1.640522688        -2.607824758        0.7406901822E-01
H        -0.3056856985        -2.913299742        0.8607357316    
O          2.902788321        -1.763960629        -1.500998619    
H          2.107734527        -2.290012481        -1.801335290    
H          3.671114481        -2.228196856        -1.832405027    
O          1.851469931        0.7251199918        -1.648726400    
H          2.406136150       -0.6976416645E-01    -1.729924819    
H          1.167087879        0.4517081994       -0.9816327975    
O        -0.9090796475        -1.612176960        -3.810265829    
H         -1.082459262        -1.852757419        -4.720196446    
H        -0.4741669525       -0.7193816120        -3.833418503    
O         -3.327534374        -2.158906389       -0.5479928517E-01
H         -3.252898646        -1.607951538       -0.8832909498    
H         -4.100422038        -2.711959941       -0.1668851734    
O          3.277598631        0.6466283917         2.147464257    
H          4.033970702        0.8810767921         2.684211306    
H          3.255456527         1.297450109         1.392582378    
O         -2.901862824         2.050304147         1.188593857    
H         -3.744427651         2.465718107         1.371383904    
H         -2.974137446         1.116977491         1.551087088    
O          2.793486507        -1.935863842         1.277231625    
H          2.974500929        -1.042972992         1.615019752    
H          2.798102475        -1.861742925        0.3069565460    
O        -0.9569962639E-02   -0.5157152991E-01    0.3160100509E-01
H        -0.7614259141        0.4374809937       -0.3714382472    
H        -0.2282577555        -1.009767340       -0.1811412281E-01
O         0.7857957592        -3.107215052        -2.234866751    
H         0.2285822497        -2.630283300        -2.874197393    
H         0.2656250020        -3.098131350        -1.411075345    
O          3.090196583         2.351299695        0.1710719725    
H          2.394324333         2.999199008        0.3826025520    
H          2.739081940         1.808808198       -0.5601663966    
O         0.5761753537        0.6854569718         2.554673748    
H          1.545580875        0.6682708209         2.596343378    
H         0.3556203974        0.4111144776         1.638596910    
O         -3.002581315       -0.7392768286        -2.229289722    
H         -2.647439622        0.1174846641        -1.939421254    
H         -2.304327696        -1.146068801        -2.772684387    
    63
Energy=    -106.839560007890    
O         0.1910950208        0.7926359301        -3.751256989    
H         0.8615653445        0.7655332758        -3.032881570    
H        -0.4568312438         1.448731797        -3.482855269    
O        -0.6352356667         3.066737319         2.368111543    
H         -1.473339570         2.789099602         1.957695388    
H        -0.1885671796         2.226465337         2.604563743    
O         0.1612820552         3.213334250        -1.793908295    
H         0.9534720199         2.725078980        -2.043872792    
H         0.3927800574         3.655769676       -0.9539688296    
O         0.9903879226         4.072019517        0.6266854520    
H         0.3587822873         3.694001341         1.312747504    
H          1.135974203         4.983283926        0.8779334543    
O         -3.186474719       -0.3774062351         2.074301825    
H         -2.470615970       -0.7064291824         2.661179038    
H         -3.259209246        -1.021783848         1.352015093    
O         -1.792414510         1.499247246        -1.193825380    
H         -1.161732741         2.217488624        -1.426252466    
H         -2.271020026         1.804713691       -0.4003387975    
O         -1.075242365        -1.262306851         3.496108307    
H        -0.4907398362       -0.4935879446         3.371874117    
H        -0.5670941001        -2.012277608         3.155756742    
O         0.6595259057        -3.115176700         2.278654000    
H          1.465155056        -2.638117698         1.944171545    
H         0.9698770007        -3.956879057         2.611997116    
O        -0.6704779862        -2.632376397       -0.2217608574E-03
H         -1.641328592        -2.608533102        0.7567622127E-01
H        -0.3054523948        -2.911056151        0.8614167036    
O          2.910133880        -1.786463464        -1.493296734    
H          2.111566800        -2.305537869        -1.796770637    
H          3.675204781        -2.257209829        -1.822867746    
O          1.865917382        0.7079179939        -1.644174484    
H          2.416966623       -0.9039238416E-01    -1.719866575    
H          1.178167708        0.4443585778       -0.9770257873    
O        -0.8992330523        -1.590175102        -3.806761297    
H         -1.070991056        -1.827099450        -4.717964732    
H        -0.4614765149       -0.6978076096        -3.826627404    
O         -3.327345923        -2.158406889       -0.5404236663E-01
H         -3.251936698        -1.605307220       -0.8814773526    
H         -4.098994225        -2.712288793       -0.1696974579    
O          3.275763427        0.6460360945         2.145782629    
H          4.031644246        0.8790549261         2.683999481    
H          3.256880796         1.292223315         1.386891044    
O         -2.904970221         2.044654844         1.190790948    
H         -3.745197246         2.462806762         1.379732878    
H         -2.978962411         1.112804329         1.555932695    
O          2.796108413        -1.941148107         1.283062926    
H          2.976908302        -1.046447349         1.616524674    
H          2.803727183        -1.872752301        0.3121357753    
O        -0.6480195019E-02   -0.5062965399E-01    0.3194326399E-01
H        -0.7555430345        0.4419489360       -0.3717583603    
H        -0.2283408223        -1.007959231       -0.2013669086E-01
O         0.7821713448        -3.108573371        -2.234830189    
H         0.2289562944        -2.623259964        -2.871030207    
H         0.2622417901        -3.099176303        -1.410834588    
O          3.096116398         2.346093916        0.1632659223    
H          2.398100872         2.990008238        0.3778089577    
H          2.741684766         1.802910505       -0.5672672220    
O         0.5764134125        0.6863318103         2.549422690    
H          1.545781792        0.6671908693         2.591791661    
H         0.3569987865        0.4108854189         1.633109021    
O         -3.003068131       -0.7390399714        -2.224661292    
H         -2.650208177        0.1179882755        -1.931242654    
H         -2.302316914        -1.140992086        -2.767856952    
    63
Energy=    -106.839522938110    
O         0.1970750502        0.7967474126        -3.746283156    
H         0.8677474523        0.7685640992        -3.027616769    
H        -0.4533077418         1.450106245        -3.476774038    
O        -0.6356743399         3.066390887         2.366144546    
H         -1.474220361         2.788465657         1.956846136    
H        -0.1866736651         2.226872126         2.601748615    
O         0.1514275370         3.222214547        -1.800163590    
H         0.9454285387         2.743014106        -2.061465720    
H         0.3856706293         3.656522781       -0.9573483287    
O         0.9893227960         4.068825795        0.6233299608    
H         0.3592673526         3.690727796         1.311384724    
H          1.134706076         4.980433699        0.8711645843    
O         -3.187423953       -0.3783519937         2.075334468    
H         -2.471364589       -0.7070498877         2.661913576    
H         -3.259648364        -1.022730164         1.352869563    
O         -1.794526208         1.498406733        -1.190852721    
H         -1.166206167         2.218106168        -1.426232994    
H         -2.273873333         1.802862716       -0.3975987921    
O         -1.075156364        -1.262081409         3.496050839    
H        -0.4906479145       -0.4936124321         3.371294670    
H        -0.5672160455        -2.012403868         3.155945630    
O         0.6589904209        -3.115727766         2.279107550    
H          1.464966650        -2.638935988         1.945003620    
H         0.9688114560        -3.957408411         2.612538224    
O        -0.6705784101        -2.632070092        0.3693564900E-04
H         -1.641281529        -2.608515470        0.7599921242E-01
H        -0.3053129562        -2.910731631        0.8615257985    
O          2.911954001        -1.791982354        -1.491571039    
H          2.112057440        -2.308428337        -1.795723999    
H          3.675923277        -2.264096584        -1.821340810    
O          1.871666341        0.7030511010        -1.643245089    
H          2.420679506       -0.9713180199E-01    -1.716838441    
H          1.182185816        0.4425338317       -0.9770346984    
O        -0.8979617551        -1.583050040        -3.805218812    
H         -1.068020243        -1.820494226        -4.716810205    
H        -0.4594165779       -0.6912495923        -3.824438959    
O         -3.327416974        -2.158516611       -0.5363147572E-01
H         -3.252241665        -1.605611535       -0.8811672521    
H         -4.098491950        -2.712894382       -0.1692965319    
O          3.275633962        0.6456327198         2.145892977    
H          4.030966632        0.8784184312         2.684102347    
H          3.257412252         1.292073136         1.386838581    
O         -2.906456601         2.044001872         1.192760263    
H         -3.745943553         2.462296613         1.381856503    
H         -2.979575533         1.111974300         1.558478720    
O          2.796675201        -1.942541108         1.284776745    
H          2.977445177        -1.047438347         1.617029392    
H          2.805148941        -1.875592011        0.3137971182    
O        -0.6386229026E-02   -0.5039751884E-01    0.3071051394E-01
H        -0.7551747355        0.4426033579       -0.3730898572    
H        -0.2285535752        -1.007616941       -0.2084278472E-01
O         0.7810798343        -3.109183399        -2.234940685    
H         0.2297518639        -2.621354994        -2.870621346    
H         0.2611122853        -3.099318710        -1.410865477    
O          3.097649007         2.344554822        0.1618200836    
H          2.398813926         2.988100733        0.3764576244    
H          2.743751053         1.801609186       -0.5683526056    
O         0.5766071437        0.6866713259         2.548236939    
H          1.546044960        0.6665443242         2.590903395    
H         0.3572627785        0.4105389215         1.632234885    
O         -3.003927524       -0.7389298122        -2.224450629    
H         -2.652333481        0.1177295446        -1.929878954    
H         -2.301711918        -1.140389967        -2.766929497    
    63
Energy=    -106.839431154010    
O         0.2139708452        0.8099458757        -3.731194427    
H         0.8870524722        0.7744253445        -3.015081310    
H        -0.4406696241         1.458173004        -3.457699336    
O        -0.6355206394         3.065006804         2.360057383    
H         -1.476634876         2.787310303         1.955281240    
H        -0.1815359596         2.228272886         2.594307959    
O         0.1278134106         3.247548095        -1.817330940    
H         0.9199601813         2.795773358        -2.118597251    
H         0.3630282292         3.656985246       -0.9599872823    
O         0.9855819592         4.058758099        0.6121196231    
H         0.3589435925         3.681008268         1.303324749    
H          1.131672166         4.973324077        0.8519718372    
O         -3.190248741       -0.3807824753         2.078410155    
H         -2.473285634       -0.7090093731         2.664290295    
H         -3.261065389        -1.025072062         1.355447496    
O         -1.799725077         1.496417980        -1.182396479    
H         -1.182318860         2.217505490        -1.427499338    
H         -2.282806673         1.797902508       -0.3886877832    
O         -1.075060494        -1.261626410         3.495990382    
H        -0.4900362834       -0.4933802345         3.369053915    
H        -0.5674886785        -2.012671316         3.156371537    
O         0.6573640927        -3.117066815         2.280273350    
H          1.464533140        -2.641129656         1.947700975    
H         0.9657920654        -3.959008808         2.614227468    
O        -0.6705298435        -2.630825109        0.5245906939E-03
H         -1.641378205        -2.608104146        0.7692093388E-01
H        -0.3048862115        -2.910186505        0.8622024436    
O          2.916697016        -1.808051617        -1.486472238    
H          2.113260870        -2.317379367        -1.792567020    
H          3.678155154        -2.284280404        -1.817552989    
O          1.887737947        0.6893088606        -1.639752961    
H          2.431691341       -0.1157789189        -1.708379943    
H          1.194230013        0.4366783683       -0.9767946128    
O        -0.8938395837        -1.563779974        -3.800132320    
H         -1.059604515        -1.800997023        -4.713066423    
H        -0.4531907481       -0.6723962663        -3.816820915    
O         -3.327396180        -2.159284705       -0.5222088357E-01
H         -3.253429133        -1.607112112       -0.8804927969    
H         -4.097344991        -2.715152588       -0.1675121384    
O          3.275247313        0.6442188743         2.145447673    
H          4.029652147        0.8767955269         2.685011051    
H          3.259082712         1.291729062         1.387223999    
O         -2.910060764         2.042121241         1.199719489    
H         -3.749333436         2.460820971         1.388437529    
H         -2.981940205         1.109752347         1.565561032    
O          2.798387734        -1.946977054         1.290012248    
H          2.978660848        -1.050170607         1.618835028    
H          2.809254317        -1.883936844        0.3186803297    
O        -0.5678366299E-02   -0.4994626316E-01    0.2615685422E-01
H        -0.7539178849        0.4441897584       -0.3775224864    
H        -0.2290925958        -1.006632751       -0.2298825575E-01
O         0.7778253143        -3.110271769        -2.235246499    
H         0.2316262492        -2.615045231        -2.869977752    
H         0.2577866383        -3.099644090        -1.411453779    
O          3.102724230         2.340981815        0.1592219166    
H          2.399915127         2.983193558        0.3718418858    
H          2.750667681         1.796685035       -0.5715273985    
O         0.5770712685        0.6868767428         2.545424907    
H          1.546617543        0.6648857481         2.588296406    
H         0.3578883625        0.4096580228         1.629484225    
O         -3.006171349       -0.7392895956        -2.224184109    
H         -2.658792866        0.1176757448        -1.926449031    
H         -2.300397070        -1.138181320        -2.764732727    
    63
Energy=    -106.839036437230    
O         0.2946718883        0.8904426247        -3.666257895    
H         0.9891473060        0.7868062426        -2.973967624    
H        -0.3236344827         1.542476798        -3.323891675    
O        -0.6177152508         3.061998301         2.324059206    
H         -1.477905867         2.784901352         1.961800219    
H        -0.1699049048         2.224218504         2.568758200    
O        -0.3121828031E-01     3.344936564        -1.888008420    
H         0.7600741399         3.141361893        -2.398412372    
H         0.2920640722         3.619647132        -1.003525494    
O         0.9642328905         4.003264003        0.5196633193    
H         0.3341675574         3.642884373         1.218182513    
H          1.110475976         4.920408990        0.7506039332    
O         -3.205501157       -0.3951219041         2.099601277    
H         -2.480857470       -0.7194774347         2.678803358    
H         -3.270289630        -1.030946526         1.368906720    
O         -1.850003499         1.482575523        -1.150624626    
H         -1.291364327         2.229679181        -1.436933857    
H         -2.312084771         1.778348179       -0.3406007469    
O         -1.071898489        -1.257604036         3.494905951    
H        -0.4871562823       -0.4918452851         3.352083700    
H        -0.5693226374        -2.012860253         3.157719869    
O         0.6492660516        -3.123437257         2.287031691    
H          1.463388171        -2.651381160         1.965183042    
H         0.9491741775        -3.967154983         2.624435315    
O        -0.6700863021        -2.627053112        0.3787608743E-02
H         -1.640528528        -2.600873040        0.8199629257E-01
H        -0.3041302831        -2.908163546        0.8644253933    
O          2.940805683        -1.904096004        -1.457248685    
H          2.120814176        -2.380113017        -1.773191822    
H          3.685429863        -2.395762021        -1.803170072    
O          1.973025771        0.6183631498        -1.613203843    
H          2.495263012       -0.2009303760        -1.667410291    
H          1.257933139        0.3948780791       -0.9648041475    
O        -0.8546026764        -1.472436331        -3.767170323    
H         -1.015651091        -1.684383697        -4.686843516    
H        -0.4114628763       -0.5828119099        -3.757728832    
O         -3.328569003        -2.167700811       -0.4425061601E-01
H         -3.262049382        -1.622640679       -0.8775442890    
H         -4.093280058        -2.732824359       -0.1502946286    
O          3.277760559        0.6360553313         2.142995484    
H          4.024831370        0.8683905395         2.693236092    
H          3.268809333         1.287365625         1.386695772    
O         -2.932169922         2.035700988         1.246552935    
H         -3.776217210         2.447474626         1.430739755    
H         -3.004295699         1.098937552         1.602040819    
O          2.808960365        -1.971114868         1.321816744    
H          2.981457448        -1.066271205         1.631698707    
H          2.831571890        -1.932986435        0.3496115161    
O         0.7239127765E-02   -0.4887113805E-01    0.3493748767E-02
H        -0.7381558313        0.4473546762       -0.4001805201    
H        -0.2253502125        -1.003871114       -0.3824121877E-01
O         0.7590222180        -3.104940222        -2.244758931    
H         0.2336675394        -2.569670164        -2.865056699    
H         0.2378314367        -3.096893671        -1.421860167    
O          3.126187358         2.330609396        0.1557402618    
H          2.400766606         2.956829170        0.3323119097    
H          2.809692432         1.764290423       -0.5748350084    
O         0.5775165710        0.6782717529         2.527633009    
H          1.547120121        0.6584978057         2.573215302    
H         0.3615545050        0.4070708278         1.608998993    
O         -3.022367635       -0.7479934251        -2.221705758    
H         -2.700692243        0.1158586875        -1.913815711    
H         -2.298945652        -1.116910705        -2.759681388    
    63
Energy=    -106.838977950900    
O         0.3292187140        0.9191358226        -3.638012303    
H          1.037361060        0.8100366482        -2.961136038    
H        -0.2811319025         1.566185150        -3.272183494    
O        -0.6136221193         3.060885709         2.314395062    
H         -1.478307227         2.784736006         1.963200676    
H        -0.1674805811         2.221737523         2.558210375    
O        -0.8232624270E-01     3.363186336        -1.927350298    
H         0.6846526803         3.319066152        -2.501769731    
H         0.2656107187         3.617227110        -1.045805680    
O         0.9472466840         3.980818702        0.4766191354    
H         0.3323776628         3.621011940         1.189038339    
H          1.100356471         4.898485689        0.7018417781    
O         -3.212302427       -0.4017966938         2.107872465    
H         -2.483831527       -0.7240804548         2.683721997    
H         -3.273885658        -1.033926414         1.373810535    
O         -1.873180648         1.476960171        -1.131502794    
H         -1.341471943         2.233688387        -1.436650462    
H         -2.329053939         1.767427419       -0.3160505740    
O         -1.071133845        -1.256149541         3.493999606    
H        -0.4863901298       -0.4915240783         3.345233262    
H        -0.5704812928        -2.013475978         3.158686708    
O         0.6455393284        -3.126886051         2.289978499    
H          1.462498992        -2.656301060         1.972923243    
H         0.9420094631        -3.970842191         2.629851789    
O        -0.6703619859        -2.625439557        0.4500009538E-02
H         -1.640745900        -2.598436752        0.8417519176E-01
H        -0.3033481422        -2.906268728        0.8644783142    
O          2.950925576        -1.949549366        -1.442431643    
H          2.124294713        -2.408633833        -1.766080004    
H          3.689017934        -2.443391172        -1.798745047    
O          2.017070642        0.5866718779        -1.596847030    
H          2.523019554       -0.2423125928        -1.648456129    
H          1.287107030        0.3762334951       -0.9616377166    
O        -0.8387170926        -1.427220983        -3.753644117    
H        -0.9956275822        -1.630049642        -4.675989390    
H        -0.3845235896       -0.5423716099        -3.735202127    
O         -3.329768792        -2.169147267       -0.3947095467E-01
H         -3.266845450        -1.628270952       -0.8758400271    
H         -4.090414499        -2.740292335       -0.1426492724    
O          3.277987994        0.6330843034         2.142841555    
H          4.022856219        0.8655631250         2.696096343    
H          3.272142808         1.283690618         1.385459260    
O         -2.943496387         2.031808207         1.265305297    
H         -3.788331119         2.441874021         1.449282303    
H         -3.013960688         1.094739170         1.621167576    
O          2.812694059        -1.980234639         1.337108070    
H          2.984680995        -1.071842942         1.636453454    
H          2.841814861        -1.955495263        0.3647919754    
O         0.1287227067E-01   -0.4759316300E-01   -0.6921960317E-02
H        -0.7362440242        0.4478287663       -0.4034839108    
H        -0.2212620564        -1.002165644       -0.4523805981E-01
O         0.7504910429        -3.101989580        -2.249658566    
H         0.2341468907        -2.548879852        -2.861670897    
H         0.2303377016        -3.095585919        -1.425862911    
O          3.140489026         2.326290342        0.1543769413    
H          2.403197783         2.940223823        0.3164857143    
H          2.838006835         1.750198399       -0.5758035960    
O         0.5775976975        0.6761969954         2.517438651    
H          1.547001782        0.6553900751         2.566579848    
H         0.3648641358        0.4056619882         1.597528995    
O         -3.035419509       -0.7563056104        -2.222249578    
H         -2.728146026        0.1098254572        -1.905368597    
H         -2.301165897        -1.108651966        -2.756230580    
    63
Energy=    -106.838973405380    
O         0.3304843224        0.9200555115        -3.636901506    
H          1.039203643        0.8110637693        -2.960705800    
H        -0.2797970777         1.566883855        -3.270423013    
O        -0.6135440289         3.060854698         2.314146977    
H         -1.478329733         2.784685190         1.963207285    
H        -0.1674214265         2.221671799         2.557754710    
O        -0.8380152823E-01     3.363947733        -1.928977799    
H         0.6819125428         3.325577874        -2.505574189    
H         0.2644829814         3.617277675        -1.047252294    
O         0.9466337171         3.979891908        0.4748900142    
H         0.3325879998         3.620474036         1.188074970    
H          1.099824389         4.897521093        0.7001711139    
O         -3.212526812       -0.4020230169         2.108152428    
H         -2.483947474       -0.7242464034         2.683906950    
H         -3.274030053        -1.034059763         1.373972135    
O         -1.873902361         1.476529728        -1.130773664    
H         -1.343514021         2.233660067        -1.436379025    
H         -2.329626939         1.767168822       -0.3152705271    
O         -1.071124188        -1.256098994         3.493963064    
H        -0.4863570587       -0.4915043773         3.344991426    
H        -0.5705211866        -2.013513339         3.158727648    
O         0.6454013203        -3.127028391         2.290070387    
H          1.462466204        -2.656476884         1.973208809    
H         0.9417428317        -3.970975980         2.630057536    
O        -0.6703744885        -2.625345829        0.4516666084E-02
H         -1.640753061        -2.598369023        0.8425422438E-01
H        -0.3033137601        -2.906202849        0.8644871635    
O          2.951266806        -1.951217362        -1.441871722    
H          2.124442398        -2.409648051        -1.765846239    
H          3.689155455        -2.445119230        -1.798594473    
O          2.018732005        0.5855544934        -1.596163613    
H          2.523965054       -0.2438969674        -1.647720445    
H          1.288253810        0.3755228483       -0.9615954958    
O        -0.8381978439        -1.425474745        -3.753119725    
H        -0.9948644434        -1.628027443        -4.675598244    
H        -0.3834927851       -0.5408668090        -3.734506828    
O         -3.329819619        -2.169182621       -0.3931104333E-01
H         -3.267026497        -1.628439230       -0.8757827570    
H         -4.090290360        -2.740553800       -0.1423671696    
O          3.277993655        0.6329515164         2.142843181    
H          4.022778667        0.8654661931         2.696193243    
H          3.272257815         1.283571089         1.385427570    
O         -2.943912319         2.031661398         1.266014774    
H         -3.788767752         2.441689893         1.449933455    
H         -3.014303097         1.094555505         1.621905769    
O          2.812816276        -1.980556505         1.337664140    
H          2.984823016        -1.072023392         1.636627809    
H          2.842196405        -1.956323114        0.3653415562    
O         0.1305901582E-01   -0.4753180137E-01   -0.7438823142E-02
H        -0.7362756884        0.4478428166       -0.4035484001    
H        -0.2211416444        -1.002044140       -0.4547352965E-01
O         0.7501996920        -3.101879481        -2.249797220    
H         0.2341812561        -2.548148580        -2.861551430    
H         0.2300731423        -3.095562399        -1.426005835    
O          3.140984747         2.326077450        0.1542250804    
H          2.403257198         2.939729732        0.3160728836    
H          2.839099808         1.749603208       -0.5759244785    
O         0.5776062921        0.6761299904         2.517076480    
H          1.547015680        0.6552797699         2.566353995    
H         0.3649755606        0.4056137588         1.597127010    
O         -3.035925574       -0.7566062631        -2.222226267    
H         -2.729210037        0.1095522859        -1.905062295    
H         -2.301249745        -1.108361319        -2.756087126    
    63
Energy=    -106.838970115150    
O         0.3355680828        0.9236938143        -3.633815091    
H          1.045171135        0.8150968919        -2.958641697    
H        -0.2764818709         1.567793619        -3.264914134    
O        -0.6131912019         3.060742003         2.312837691    
H         -1.478517370         2.784727901         1.963076911    
H        -0.1670029932         2.221551350         2.556329175    
O        -0.8870745662E-01     3.368639647        -1.935798055    
H         0.6743619719         3.346353130        -2.516709561    
H         0.2606807976         3.616485574        -1.053222849    
O         0.9458541091         3.976774423        0.4709571586    
H         0.3327779175         3.618813065         1.185655200    
H          1.097846312         4.894908795        0.6949173488    
O         -3.213200591       -0.4027329111         2.108970263    
H         -2.484366737       -0.7248270446         2.684469076    
H         -3.274506723        -1.034506905         1.374497818    
O         -1.877270759         1.474866384        -1.128091120    
H         -1.349095986         2.232036268        -1.435563162    
H         -2.332266218         1.766043291       -0.3120682295    
O         -1.071036668        -1.255940384         3.493899129    
H        -0.4862595554       -0.4914859113         3.344226584    
H        -0.5706443748        -2.013597960         3.158856534    
O         0.6448983553        -3.127521690         2.290314833    
H          1.462253115        -2.657045680         1.974122601    
H         0.9409114849        -3.971424698         2.630740189    
O        -0.6703853216        -2.625045680        0.4619116552E-02
H         -1.640742675        -2.598210986        0.8449527576E-01
H        -0.3032200005        -2.905997488        0.8645304854    
O          2.952487759        -1.956325913        -1.440268527    
H          2.124857802        -2.412762755        -1.765099194    
H          3.689533922        -2.450543057        -1.798063350    
O          2.024085446        0.5816127979        -1.594760076    
H          2.527129552       -0.2493869597        -1.644978271    
H          1.291945761        0.3738138844       -0.9616126996    
O        -0.8367701908        -1.420105922        -3.751736806    
H        -0.9924806560        -1.621718811        -4.674480419    
H        -0.3807357887       -0.5360741307        -3.732110840    
O         -3.329894486        -2.169220322       -0.3877403627E-01
H         -3.267650052        -1.628850303       -0.8755619403    
H         -4.089879063        -2.741338785       -0.1415305036    
O          3.278020593        0.6326205781         2.142733040    
H          4.022504957        0.8651973650         2.696414295    
H          3.272699404         1.283316255         1.385327572    
O         -2.945041208         2.031266269         1.268530253    
H         -3.790127180         2.441156900         1.451894734    
H         -3.015395664         1.093947896         1.624068577    
O          2.813363405        -1.981545114         1.339423471    
H          2.985290584        -1.072545293         1.637081901    
H          2.843358568        -1.958919074        0.3671104066    
O         0.1361440883E-01   -0.4727903487E-01   -0.8943091436E-02
H        -0.7363165871        0.4480571921       -0.4038315138    
H        -0.2211158501        -1.001711268       -0.4632405579E-01
O         0.7492569674        -3.101666044        -2.250246114    
H         0.2343635640        -2.545866220        -2.861126978    
H         0.2292842301        -3.095529082        -1.426398992    
O          3.142347019         2.325159760        0.1539260622    
H          2.403533440         2.938023778        0.3147039147    
H          2.842522241         1.747862756       -0.5763103778    
O         0.5776018047        0.6758095619         2.515970321    
H          1.547026673        0.6549072820         2.565628417    
H         0.3653643558        0.4055532946         1.595844313    
O         -3.037557235       -0.7575158076        -2.222257495    
H         -2.732659063        0.1087278199        -1.903919968    
H         -2.301485109        -1.107560713        -2.755504037    
    63
Energy=    -106.838968849250    
O         0.3366800592        0.9245937955        -3.633330624    
H          1.046321839        0.8159504919        -2.958099023    
H        -0.2759713953         1.567714378        -3.263896748    
O        -0.6130841034         3.060724742         2.312464586    
H         -1.478556281         2.784782074         1.963040728    
H        -0.1668886235         2.221550357         2.556074201    
O        -0.8958973110E-01     3.369950202        -1.937418727    
H         0.6731393420         3.350214283        -2.518838308    
H         0.2598273767         3.616172206        -1.054331846    
O         0.9459084750         3.976218336        0.4705921558    
H         0.3326323286         3.618358125         1.185297204    
H          1.097499769         4.894594859        0.6938804000    
O         -3.213333590       -0.4028717723         2.109116749    
H         -2.484448158       -0.7249475140         2.684568441    
H         -3.274594216        -1.034589948         1.374600302    
O         -1.878149293         1.474594968        -1.127494263    
H         -1.349898762         2.231466781        -1.435521226    
H         -2.332962211         1.765701027       -0.3112716838    
O         -1.071011293        -1.255916452         3.493902955    
H        -0.4862398931       -0.4914864014         3.344079760    
H        -0.5706658075        -2.013605270         3.158877336    
O         0.6447898874        -3.127619540         2.290357321    
H          1.462192846        -2.657155113         1.974293478    
H         0.9407605736        -3.971514199         2.630872386    
O        -0.6703809369        -2.625001837        0.4644331454E-02
H         -1.640738824        -2.598184854        0.8453780151E-01
H        -0.3032033948        -2.905958709        0.8645446194    
O          2.952735853        -1.957245745        -1.440006123    
H          2.124923763        -2.413328173        -1.764948073    
H          3.689602385        -2.451554519        -1.797954709    
O          2.025072703        0.5807651861        -1.594641133    
H          2.527782794       -0.2504879140        -1.644405593    
H          1.292632344        0.3736235147       -0.9616393118    
O        -0.8365236359        -1.419150120        -3.751533876    
H        -0.9920563745        -1.620576688        -4.674312086    
H        -0.3803267006       -0.5351781514        -3.731583431    
O         -3.329894118        -2.169218545       -0.3866632096E-01
H         -3.267772934        -1.628911303       -0.8755094789    
H         -4.089800689        -2.741477998       -0.1413853751    
O          3.278030700        0.6325834774         2.142688487    
H          4.022459354        0.8651506176         2.696454339    
H          3.272785872         1.283292856         1.385288150    
O         -2.945210552         2.031212161         1.269033777    
H         -3.790376628         2.441054660         1.452251455    
H         -3.015608209         1.093845747         1.624429759    
O          2.813500836        -1.981731045         1.339757911    
H          2.985375830        -1.072635512         1.637147010    
H          2.843564914        -1.959397689        0.3674438659    
O         0.1371690486E-01   -0.4722922793E-01   -0.9167325490E-02
H        -0.7362773780        0.4481121820       -0.4039044739    
H        -0.2211730902        -1.001650216       -0.4651130352E-01
O         0.7490681729        -3.101651376        -2.250347975    
H         0.2344102455        -2.545439236        -2.861035904    
H         0.2291446221        -3.095524657        -1.426456774    
O          3.142618938         2.324965307        0.1539621694    
H          2.403604819         2.937613987        0.3143693247    
H          2.843107785         1.747601788       -0.5763588781    
O         0.5775946655        0.6757240384         2.515769459    
H          1.547017364        0.6548323237         2.565486234    
H         0.3654450507        0.4055593577         1.595593478    
O         -3.037868154       -0.7576911051        -2.222301555    
H         -2.733303955        0.1085880701        -1.903673024    
H         -2.301528379        -1.107423469        -2.755365520    
    63
Energy=    -106.838968717480    
O         0.3366899557        0.9246032403        -3.633328784    
H          1.046335447        0.8159517335        -2.958092988    
H        -0.2759754824         1.567715920        -3.263891518    
O        -0.6130829067         3.060725695         2.312462792    
H         -1.478556837         2.784782497         1.963039603    
H        -0.1668876608         2.221549986         2.556072485    
O        -0.8956155951E-01     3.369969869        -1.937441977    
H         0.6731333350         3.350225566        -2.518908681    
H         0.2597905840         3.616178453        -1.054268806    
O         0.9459127880         3.976214351        0.4705866932    
H         0.3326299473         3.618354191         1.185293162    
H          1.097497591         4.894594315        0.6938745787    
O         -3.213334730       -0.4028733808         2.109118497    
H         -2.484448741       -0.7249481602         2.684568709    
H         -3.274594643        -1.034590388         1.374600754    
O         -1.878158356         1.474586158        -1.127491299    
H         -1.349906294         2.231459945        -1.435518306    
H         -2.332966796         1.765700484       -0.3112653696    
O         -1.071011005        -1.255916200         3.493903514    
H        -0.4862398672       -0.4914863153         3.344078636    
H        -0.5706658064        -2.013605486         3.158877207    
O         0.6447888422        -3.127620428         2.290357806    
H          1.462192288        -2.657155852         1.974294536    
H         0.9407597056        -3.971514733         2.630873205    
O        -0.6703808476        -2.625002204        0.4644113614E-02
H         -1.640738654        -2.598184503        0.8453818295E-01
H        -0.3032033976        -2.905958311        0.8645448042    
O          2.952737524        -1.957250199        -1.440004309    
H          2.124923551        -2.413331986        -1.764947031    
H          3.689603573        -2.451561510        -1.797954294    
O          2.025078491        0.5807609348        -1.594641914    
H          2.527787697       -0.2504958193        -1.644401558    
H          1.292635839        0.3736226719       -0.9616387556    
O        -0.8365216068        -1.419145348        -3.751532212    
H        -0.9920540203        -1.620569680        -4.674311890    
H        -0.3803260266       -0.5351736784        -3.731579369    
O         -3.329894216        -2.169219130       -0.3866532120E-01
H         -3.267773495        -1.628910953       -0.8755095841    
H         -4.089800272        -2.741478937       -0.1413843759    
O          3.278031316        0.6325829710         2.142688276    
H          4.022459191        0.8651502728         2.696454902    
H          3.272786004         1.283292412         1.385288161    
O         -2.945211841         2.031212396         1.269038187    
H         -3.790378207         2.441054110         1.452253537    
H         -3.015609428         1.093845124         1.624431320    
O          2.813502466        -1.981732150         1.339759946    
H          2.985376223        -1.072635645         1.637147792    
H          2.843565941        -1.959401065        0.3674456236    
O         0.1371887060E-01   -0.4722886138E-01   -0.9168912917E-02
H        -0.7362777256        0.4481138150       -0.4039053459    
H        -0.2211740897        -1.001649940       -0.4651255081E-01
O         0.7490665438        -3.101651732        -2.250348613    
H         0.2344103483        -2.545435697        -2.861036495    
H         0.2291439306        -3.095524893        -1.426456097    
O          3.142621181         2.324966042        0.1539606554    
H          2.403604063         2.937611621        0.3143689928    
H          2.843111478         1.747598350       -0.5763589813    
O         0.5775945791        0.6757226406         2.515768355    
H          1.547017512        0.6548319579         2.565485424    
H         0.3654451826        0.4055597180         1.595591739    
O         -3.037870722       -0.7576918310        -2.222301268    
H         -2.733307648        0.1085878138        -1.903671167    
H         -2.301528005        -1.107422641        -2.755364935    
    63
Energy=    -106.838960579400    
O         0.3477870871        0.9338708248        -3.623223063    
H          1.062154578        0.8173991876        -2.954697790    
H        -0.2521642983         1.584949047        -3.246271083    
O        -0.6111463674         3.060425896         2.307410285    
H         -1.478621851         2.784704202         1.962955328    
H        -0.1652056468         2.221256491         2.551735293    
O        -0.1049563800         3.371788605        -1.949870595    
H         0.6432637269         3.411145019        -2.548561307    
H         0.2530537267         3.605970080        -1.066811859    
O         0.9419400536         3.967678658        0.4565287533    
H         0.3306955153         3.611994714         1.174126785    
H          1.095288772         4.886215471        0.6781032801    
O         -3.215028702       -0.4046555734         2.111623901    
H         -2.485180279       -0.7262304179         2.686197197    
H         -3.275305316        -1.035222560         1.376002542    
O         -1.888230482         1.471656559        -1.121960583    
H         -1.368907680         2.230160347        -1.437632850    
H         -2.339221954         1.762702240       -0.3034202656    
O         -1.070566392        -1.255279520         3.494004081    
H        -0.4859070044       -0.4911394688         3.342081513    
H        -0.5707741012        -2.013543437         3.159438848    
O         0.6438682621        -3.128382810         2.291295004    
H          1.462074960        -2.658520789         1.976340525    
H         0.9386981286        -3.972789876         2.631524199    
O        -0.6701614381        -2.624127171        0.5005802441E-02
H         -1.640518934        -2.597088837        0.8505066269E-01
H        -0.3029661510        -2.905002072        0.8649063538    
O          2.956164388        -1.970418935        -1.435884103    
H          2.126211554        -2.421215838        -1.762809191    
H          3.690823097        -2.466568448        -1.795777537    
O          2.038333959        0.5707500972        -1.589621260    
H          2.537097544       -0.2629229317        -1.637421559    
H          1.301601016        0.3678806571       -0.9606381676    
O        -0.8326532749        -1.405966258        -3.745819410    
H        -0.9860900559        -1.604056293        -4.669675100    
H        -0.3766313603       -0.5218723174        -3.721862812    
O         -3.329790983        -2.169634313       -0.3743110061E-01
H         -3.268540026        -1.630297047       -0.8751027050    
H         -4.088736458        -2.743286244       -0.1394752791    
O          3.277822141        0.6312517129         2.142692682    
H          4.021409413        0.8636414562         2.697656388    
H          3.273743825         1.282280961         1.385420073    
O         -2.948476665         2.030597386         1.275785243    
H         -3.794068579         2.439534023         1.459047724    
H         -3.018271862         1.092617109         1.630057158    
O          2.814767452        -1.984743097         1.343580016    
H          2.986043552        -1.074654493         1.638274646    
H          2.846465481        -1.965870230        0.3712608968    
O         0.1474226403E-01   -0.4631103613E-01   -0.1287867368E-01
H        -0.7356679724        0.4487061508       -0.4067869839    
H        -0.2206364977        -1.000641925       -0.4903667399E-01
O         0.7469532766        -3.100113916        -2.251530208    
H         0.2350385775        -2.538623286        -2.859768076    
H         0.2272259161        -3.094525561        -1.427515750    
O          3.146268232         2.323329327        0.1538979820    
H          2.403956392         2.933184521        0.3094537781    
H          2.851552969         1.742891322       -0.5761068470    
O         0.5773439366        0.6750461881         2.512562420    
H          1.546754816        0.6536829331         2.562978129    
H         0.3657315484        0.4053793897         1.592047293    
O         -3.041325937       -0.7598493033        -2.222194565    
H         -2.740442505        0.1070301482        -1.901578234    
H         -2.302169905        -1.105409118        -2.754171666    
    63
Energy=    -106.838967187260    
O         0.3477870871        0.9338708248        -3.623223063    
H          1.062154578        0.8173991876        -2.954697790    
H        -0.2521642983         1.584949047        -3.246271083    
O        -0.6111463674         3.060425896         2.307410285    
H         -1.478621851         2.784704202         1.962955328    
H        -0.1652056468         2.221256491         2.551735293    
O        -0.1049563800         3.371788605        -1.949870595    
H         0.6432637269         3.411145019        -2.548561307    
H         0.2530537267         3.605970080        -1.066811859    
O         0.9419400536         3.967678658        0.4565287533    
H         0.3306955153         3.611994714         1.174126785    
H          1.095288772         4.886215471        0.6781032801    
O         -3.215028702       -0.4046555734         2.111623901    
H         -2.485180279       -0.7262304179         2.686197197    
H         -3.275305316        -1.035222560         1.376002542    
O         -1.888230482         1.471656559        -1.121960583    
H         -1.368907680         2.230160347        -1.437632850    
H         -2.339221954         1.762702240       -0.3034202656    
O         -1.070566392        -1.255279520         3.494004081    
H        -0.4859070044       -0.4911394688         3.342081513    
H        -0.5707741012        -2.013543437         3.159438848    
O         0.6438682621        -3.128382810         2.291295004    
H          1.462074960        -2.658520789         1.976340525    
H         0.9386981286        -3.972789876         2.631524199    
O        -0.6701614381        -2.624127171        0.5005802441E-02
H         -1.640518934        -2.597088837        0.8505066269E-01
H        -0.3029661510        -2.905002072        0.8649063538    
O          2.956164388        -1.970418935        -1.435884103    
H          2.126211554        -2.421215838        -1.762809191    
H          3.690823097        -2.466568448        -1.795777537    
O          2.038333959        0.5707500972        -1.589621260    
H          2.537097544       -0.2629229317        -1.637421559    
H          1.301601016        0.3678806571       -0.9606381676    
O        -0.8326532749        -1.405966258        -3.745819410    
H        -0.9860900559        -1.604056293        -4.669675100    
H        -0.3766313603       -0.5218723174        -3.721862812    
O         -3.329790983        -2.169634313       -0.3743110061E-01
H         -3.268540026        -1.630297047       -0.8751027050    
H         -4.088736458        -2.743286244       -0.1394752791    
O          3.277822141        0.6312517129         2.142692682    
H          4.021409413        0.8636414562         2.697656388    
H          3.273743825         1.282280961         1.385420073    
O         -2.948476665         2.030597386         1.275785243    
H         -3.794068579         2.439534023         1.459047724    
H         -3.018271862         1.092617109         1.630057158    
O          2.814767452        -1.984743097         1.343580016    
H          2.986043552        -1.074654493         1.638274646    
H          2.846465481        -1.965870230        0.3712608968    
O         0.1474226403E-01   -0.4631103613E-01   -0.1287867368E-01
H        -0.7356679724        0.4487061508       -0.4067869839    
H        -0.2206364977        -1.000641925       -0.4903667399E-01
O         0.7469532766        -3.100113916        -2.251530208    
H         0.2350385775        -2.538623286        -2.859768076    
H         0.2272259161        -3.094525561        -1.427515750    
O          3.146268232         2.323329327        0.1538979820    
H          2.403956392         2.933184521        0.3094537781    
H          2.851552969         1.742891322       -0.5761068470    
O         0.5773439366        0.6750461881         2.512562420    
H          1.546754816        0.6536829331         2.562978129    
H         0.3657315484        0.4053793897         1.592047293    
O         -3.041325937       -0.7598493033        -2.222194565    
H         -2.740442505        0.1070301482        -1.901578234    
H         -2.302169905        -1.105409118        -2.754171666    
    63
Energy=    -106.838967215390    
O         0.3367231002        0.9245753779        -3.633381321    
H          1.046391102        0.8159519198        -2.958054100    
H        -0.2760266922         1.567765651        -3.263855288    
O        -0.6130748975         3.060728063         2.312464773    
H         -1.478564530         2.784781319         1.963034807    
H        -0.1668859808         2.221550364         2.556068473    
O        -0.9040387935E-01     3.370000214        -1.936917840    
H         0.6739758664         3.350229268        -2.519698779    
H         0.2597596254         3.616215117        -1.054057657    
O         0.9459215017         3.976211176        0.4705709465    
H         0.3326251424         3.618346849         1.185285829    
H          1.097492831         4.894588901        0.6938634834    
O         -3.213336633       -0.4028754925         2.109122798    
H         -2.484449821       -0.7249493965         2.684569330    
H         -3.274595599        -1.034592357         1.374600703    
O         -1.878187310         1.474555031        -1.127482187    
H         -1.349908387         2.231466315        -1.435519947    
H         -2.332976098         1.765701249       -0.3112495145    
O         -1.071012208        -1.255917632         3.493904624    
H        -0.4862382741       -0.4914842717         3.344076084    
H        -0.5706657453        -2.013605645         3.158877047    
O         0.6447863881        -3.127624041         2.290359574    
H          1.462191806        -2.657156867         1.974296359    
H         0.9407575935        -3.971514386         2.630874272    
O        -0.6703796330        -2.625002697        0.4643411353E-02
H         -1.640739045        -2.598183988        0.8453925674E-01
H        -0.3032033970        -2.905957487        0.8645452122    
O          2.952746188        -1.957256047        -1.439998485    
H          2.124918713        -2.413342389        -1.764946894    
H          3.689606132        -2.451575783        -1.797953611    
O          2.025096323        0.5807558431        -1.594649008    
H          2.527799019       -0.2505133188        -1.644393223    
H          1.292637371        0.3736192627       -0.9616318978    
O        -0.8365170079        -1.419133556        -3.751525914    
H        -0.9920498441        -1.620556640        -4.674314832    
H        -0.3803250849       -0.5351652120        -3.731571090    
O         -3.329895533        -2.169220976       -0.3866276615E-01
H         -3.267774655        -1.628910301       -0.8755101437    
H         -4.089798733        -2.741480301       -0.1413822653    
O          3.278031537        0.6325812893         2.142687138    
H          4.022459888        0.8651500661         2.696456767    
H          3.272785865         1.283291729         1.385287988    
O         -2.945214553         2.031209842         1.269044479    
H         -3.790381486         2.441053236         1.452257901    
H         -3.015611546         1.093845597         1.624434095    
O          2.813504741        -1.981738629         1.339769640    
H          2.985377739        -1.072631882         1.637150440    
H          2.843568182        -1.959407281        0.3674424950    
O         0.1372048028E-01   -0.4723016979E-01   -0.9171313871E-02
H        -0.7362767520        0.4481158437       -0.4039062925    
H        -0.2211755812        -1.001648551       -0.4651488747E-01
O         0.7490703691        -3.101660252        -2.250343150    
H         0.2344038781        -2.545421568        -2.861045900    
H         0.2291416272        -3.095525414        -1.426453315    
O          3.142639514         2.324964303        0.1539634849    
H          2.403591983         2.937615538        0.3143703926    
H          2.843115504         1.747586486       -0.5763665361    
O         0.5775960487        0.6757190754         2.515766987    
H          1.547016235        0.6548316217         2.565483556    
H         0.3654456897        0.4055607485         1.595588056    
O         -3.037882953       -0.7576946763        -2.222298202    
H         -2.733313397        0.1085911172        -1.903666691    
H         -2.301521623        -1.107423603        -2.755367871    
    63
Energy=    -106.838973873710    
O         0.3366899557        0.9246032403        -3.633328784    
H          1.046335447        0.8159517335        -2.958092988    
H        -0.2759754824         1.567715920        -3.263891518    
O        -0.6130829067         3.060725695         2.312462792    
H         -1.478556837         2.784782497         1.963039603    
H        -0.1668876608         2.221549986         2.556072485    
O        -0.8956155951E-01     3.369969869        -1.937441977    
H         0.6731333350         3.350225566        -2.518908681    
H         0.2597905840         3.616178453        -1.054268806    
O         0.9459127880         3.976214351        0.4705866932    
H         0.3326299473         3.618354191         1.185293162    
H          1.097497591         4.894594315        0.6938745787    
O         -3.213334730       -0.4028733808         2.109118497    
H         -2.484448741       -0.7249481602         2.684568709    
H         -3.274594643        -1.034590388         1.374600754    
O         -1.878158356         1.474586158        -1.127491299    
H         -1.349906294         2.231459945        -1.435518306    
H         -2.332966796         1.765700484       -0.3112653696    
O         -1.071011005        -1.255916200         3.493903514    
H        -0.4862398672       -0.4914863153         3.344078636    
H        -0.5706658064        -2.013605486         3.158877207    
O         0.6447888422        -3.127620428         2.290357806    
H          1.462192288        -2.657155852         1.974294536    
H         0.9407597056        -3.971514733         2.630873205    
O        -0.6703808476        -2.625002204        0.4644113614E-02
H         -1.640738654        -2.598184503        0.8453818295E-01
H        -0.3032033976        -2.905958311        0.8645448042    
O          2.952737524        -1.957250199        -1.440004309    
H          2.124923551        -2.413331986        -1.764947031    
H          3.689603573        -2.451561510        -1.797954294    
O          2.025078491        0.5807609348        -1.594641914    
H          2.527787697       -0.2504958193        -1.644401558    
H          1.292635839        0.3736226719       -0.9616387556    
O        -0.8365216068        -1.419145348        -3.751532212    
H        -0.9920540203        -1.620569680        -4.674311890    
H        -0.3803260266       -0.5351736784        -3.731579369    
O         -3.329894216        -2.169219130       -0.3866532120E-01
H         -3.267773495        -1.628910953       -0.8755095841    
H         -4.089800272        -2.741478937       -0.1413843759    
O          3.278031316        0.6325829710         2.142688276    
H          4.022459191        0.8651502728         2.696454902    
H          3.272786004         1.283292412         1.385288161    
O         -2.945211841         2.031212396         1.269038187    
H         -3.790378207         2.441054110         1.452253537    
H         -3.015609428         1.093845124         1.624431320    
O          2.813502466        -1.981732150         1.339759946    
H          2.985376223        -1.072635645         1.637147792    
H          2.843565941        -1.959401065        0.3674456236    
O         0.1371887060E-01   -0.4722886138E-01   -0.9168912917E-02
H        -0.7362777256        0.4481138150       -0.4039053459    
H        -0.2211740897        -1.001649940       -0.4651255081E-01
O         0.7490665438        -3.101651732        -2.250348613    
H         0.2344103483        -2.545435697        -2.861036495    
H         0.2291439306        -3.095524893        -1.426456097    
O          3.142621181         2.324966042        0.1539606554    
H          2.403604063         2.937611621        0.3143689928    
H          2.843111478         1.747598350       -0.5763589813    
O         0.5775945791        0.6757226406         2.515768355    
H          1.547017512        0.6548319579         2.565485424    
H         0.3654451826        0.4055597180         1.595591739    
O         -3.037870722       -0.7576918310        -2.222301268    
H         -2.733307648        0.1085878138        -1.903671167    
H         -2.301528005        -1.107422641        -2.755364935    
    63
Energy=    -106.838974278140    
O         0.3365893080        0.9244939962        -3.633378445    
H          1.046219465        0.8159265899        -2.958136397    
H        -0.2759647461         1.567722415        -3.263939580    
O        -0.6130927963         3.060721167         2.312489889    
H         -1.478557625         2.784775708         1.963047462    
H        -0.1668967662         2.221551037         2.556091134    
O        -0.8988367448E-01     3.369727920        -1.937392336    
H         0.6732197541         3.350076495        -2.518286688    
H         0.2601909421         3.616180274        -1.054616911    
O         0.9458892327         3.976250120        0.4706199889    
H         0.3326451047         3.618393042         1.185344671    
H          1.097522092         4.894613806        0.6939460019    
O         -3.213319890       -0.4028595183         2.109104388    
H         -2.484445536       -0.7249392217         2.684562734    
H         -3.274589847        -1.034585420         1.374595186    
O         -1.878070773         1.474646321        -1.127534304    
H         -1.349825462         2.231540780        -1.435544605    
H         -2.332921225         1.765716243       -0.3113213236    
O         -1.071015301        -1.255917031         3.493899245    
H        -0.4862402544       -0.4914867257         3.344090188    
H        -0.5706644100        -2.013605165         3.158877285    
O         0.6447987307        -3.127613128         2.290353756    
H          1.462198910        -2.657147420         1.974282836    
H         0.9407689034        -3.971507880         2.630863964    
O        -0.6703818150        -2.624999678        0.4645077885E-02
H         -1.640739990        -2.598187895        0.8453452208E-01
H        -0.3032035283        -2.905962302        0.8645433607    
O          2.952718214        -1.957191759        -1.440017846    
H          2.124920510        -2.413294535        -1.764960099    
H          3.689598733        -2.451492490        -1.797962736    
O          2.025016624        0.5808239284        -1.594643615    
H          2.527742258       -0.2504233901        -1.644444025    
H          1.292589684        0.3736288723       -0.9616360802    
O        -0.8365398255        -1.419194176        -3.751544513    
H        -0.9920806491        -1.620646357        -4.674320404    
H        -0.3803388905       -0.5352286454        -3.731622238    
O         -3.329895025        -2.169217943       -0.3867135015E-01
H         -3.267766925        -1.628910860       -0.8755131988    
H         -4.089803747        -2.741468017       -0.1413948180    
O          3.278027287        0.6325891327         2.142689566    
H          4.022460089        0.8651536290         2.696448872    
H          3.272783341         1.283295137         1.385290567    
O         -2.945204223         2.031209166         1.268994841    
H         -3.790357433         2.441058850         1.452230028    
H         -3.015595272         1.093854739         1.624412121    
O          2.813486301        -1.981721169         1.339738260    
H          2.985371877        -1.072632085         1.637140718    
H          2.843554355        -1.959365502        0.3674250806    
O         0.1371090296E-01   -0.4723584365E-01   -0.9148099149E-02
H        -0.7362847160        0.4481043294       -0.4039005850    
H        -0.2211658156        -1.001656040       -0.4649916707E-01
O         0.7490880074        -3.101652814        -2.250340153    
H         0.2344051879        -2.545468491        -2.861036642    
H         0.2291500815        -3.095522853        -1.426458790    
O          3.142601655         2.324963557        0.1539748937    
H          2.403605765         2.937641126        0.3143784967    
H          2.843070953         1.747628164       -0.5763606768    
O         0.5775957472        0.6757340782         2.515780628    
H          1.547016342        0.6548364485         2.565494385    
H         0.3654428910        0.4055570523         1.595610661    
O         -3.037851729       -0.7576831299        -2.222300146    
H         -2.733265717        0.1085953986        -1.903689274    
H         -2.301524541        -1.107434431        -2.755376279    
    63
Energy=    -106.838982446280    
O         0.3304843224        0.9200555115        -3.636901506    
H          1.039203643        0.8110637693        -2.960705800    
H        -0.2797970777         1.566883855        -3.270423013    
O        -0.6135440289         3.060854698         2.314146977    
H         -1.478329733         2.784685190         1.963207285    
H        -0.1674214265         2.221671799         2.557754710    
O        -0.8380152823E-01     3.363947733        -1.928977799    
H         0.6819125428         3.325577874        -2.505574189    
H         0.2644829814         3.617277675        -1.047252294    
O         0.9466337171         3.979891908        0.4748900142    
H         0.3325879998         3.620474036         1.188074970    
H          1.099824389         4.897521093        0.7001711139    
O         -3.212526812       -0.4020230169         2.108152428    
H         -2.483947474       -0.7242464034         2.683906950    
H         -3.274030053        -1.034059763         1.373972135    
O         -1.873902361         1.476529728        -1.130773664    
H         -1.343514021         2.233660067        -1.436379025    
H         -2.329626939         1.767168822       -0.3152705271    
O         -1.071124188        -1.256098994         3.493963064    
H        -0.4863570587       -0.4915043773         3.344991426    
H        -0.5705211866        -2.013513339         3.158727648    
O         0.6454013203        -3.127028391         2.290070387    
H          1.462466204        -2.656476884         1.973208809    
H         0.9417428317        -3.970975980         2.630057536    
O        -0.6703744885        -2.625345829        0.4516666084E-02
H         -1.640753061        -2.598369023        0.8425422438E-01
H        -0.3033137601        -2.906202849        0.8644871635    
O          2.951266806        -1.951217362        -1.441871722    
H          2.124442398        -2.409648051        -1.765846239    
H          3.689155455        -2.445119230        -1.798594473    
O          2.018732005        0.5855544934        -1.596163613    
H          2.523965054       -0.2438969674        -1.647720445    
H          1.288253810        0.3755228483       -0.9615954958    
O        -0.8381978439        -1.425474745        -3.753119725    
H        -0.9948644434        -1.628027443        -4.675598244    
H        -0.3834927851       -0.5408668090        -3.734506828    
O         -3.329819619        -2.169182621       -0.3931104333E-01
H         -3.267026497        -1.628439230       -0.8757827570    
H         -4.090290360        -2.740553800       -0.1423671696    
O          3.277993655        0.6329515164         2.142843181    
H          4.022778667        0.8654661931         2.696193243    
H          3.272257815         1.283571089         1.385427570    
O         -2.943912319         2.031661398         1.266014774    
H         -3.788767752         2.441689893         1.449933455    
H         -3.014303097         1.094555505         1.621905769    
O          2.812816276        -1.980556505         1.337664140    
H          2.984823016        -1.072023392         1.636627809    
H          2.842196405        -1.956323114        0.3653415562    
O         0.1305901582E-01   -0.4753180137E-01   -0.7438823142E-02
H        -0.7362756884        0.4478428166       -0.4035484001    
H        -0.2211416444        -1.002044140       -0.4547352965E-01
O         0.7501996920        -3.101879481        -2.249797220    
H         0.2341812561        -2.548148580        -2.861551430    
H         0.2300731423        -3.095562399        -1.426005835    
O          3.140984747         2.326077450        0.1542250804    
H          2.403257198         2.939729732        0.3160728836    
H          2.839099808         1.749603208       -0.5759244785    
O         0.5776062921        0.6761299904         2.517076480    
H          1.547015680        0.6552797699         2.566353995    
H         0.3649755606        0.4056137588         1.597127010    
O         -3.035925574       -0.7566062631        -2.222226267    
H         -2.729210037        0.1095522859        -1.905062295    
H         -2.301249745        -1.108361319        -2.756087126    
    63
Energy=    -106.839063183960    
O         0.3155449130        0.9080642293        -3.650309694    
H          1.016936371        0.7998259820        -2.966012205    
H        -0.2985220801         1.556537503        -3.293186342    
O        -0.6149478417         3.061229037         2.317725164    
H         -1.478186193         2.785116658         1.962710950    
H        -0.1682293109         2.222721420         2.562931825    
O        -0.6286121212E-01     3.356641780        -1.910695492    
H         0.7170400475         3.244597271        -2.458917696    
H         0.2768936610         3.617135390        -1.028558826    
O         0.9550277281         3.990422341        0.4958660887    
H         0.3317631242         3.629388090         1.200957925    
H          1.104978901         4.908361261        0.7218893548    
O         -3.209558966       -0.3990528724         2.104495217    
H         -2.482571875       -0.7222056881         2.681657193    
H         -3.272346761        -1.032602854         1.371831937    
O         -1.864579127         1.479977993        -1.139524268    
H         -1.319437550         2.231831224        -1.437663642    
H         -2.322392114         1.771379288       -0.3256244178    
O         -1.071370620        -1.256740403         3.494436323    
H        -0.4867166542       -0.4916910707         3.348048345    
H        -0.5699888951        -2.013159903         3.158246240    
O         0.6470570648        -3.125392824         2.288789541    
H          1.462822818        -2.654264463         1.969685721    
H         0.9450304646        -3.969325850         2.627571738    
O        -0.6702129432        -2.626243822        0.4243144088E-02
H         -1.640642324        -2.599388917        0.8327217148E-01
H        -0.3037099338        -2.907058034        0.8644568050    
O          2.946918722        -1.930493396        -1.448833491    
H          2.122762745        -2.396781994        -1.768912755    
H          3.687402739        -2.423507081        -1.800484944    
O          1.998355240        0.5994908507        -1.604372795    
H          2.511756071       -0.2248844707        -1.656321392    
H          1.274760650        0.3844252119       -0.9628218390    
O        -0.8451981935        -1.446661229        -3.759593131    
H         -1.004118070        -1.652908562        -4.680477570    
H        -0.3962988973       -0.5593962108        -3.743966660    
O         -3.329184423        -2.168576348       -0.4142787727E-01
H         -3.264840368        -1.626035518       -0.8764913011    
H         -4.091696627        -2.737212058       -0.1458737124    
O          3.277889324        0.6343836968         2.142872908    
H          4.023688751        0.8667494433         2.694877118    
H          3.270855597         1.285266525         1.385916264    
O         -2.938641557         2.033517162         1.257558827    
H         -3.783328149         2.444186139         1.441598824    
H         -3.009969616         1.096537491         1.612916288    
O          2.811285181        -1.976483225         1.330729289    
H          2.983234132        -1.069566590         1.634441123    
H          2.837479854        -1.946067869        0.3584644817    
O         0.1044868669E-01   -0.4822033746E-01   -0.2009142848E-02
H        -0.7364829366        0.4477561352       -0.4023823075    
H        -0.2229931501        -1.003093809       -0.4243664053E-01
O         0.7539417550        -3.103297753        -2.247766594    
H         0.2339074370        -2.557444747        -2.863068890    
H         0.2334570966        -3.096055149        -1.424186700    
O          3.134509578         2.328185339        0.1553720348    
H          2.402212535         2.946849120        0.3225037166    
H          2.825994163         1.756334527       -0.5751179707    
O         0.5775124800        0.6769581813         2.521687260    
H          1.546972321        0.6566685368         2.569278644    
H         0.3635282626        0.4062892930         1.602253096    
O         -3.029799344       -0.7527328550        -2.222206252    
H         -2.716442358        0.1125999040        -1.908818840    
H         -2.300189217        -1.112123521        -2.757712687    
    63
Energy=    -106.839286546490    
O         0.2678860877        0.8638770823        -3.684230175    
H         0.9578973116        0.7787145364        -2.984937424    
H        -0.3575653445         1.520762151        -3.363454884    
O        -0.6233259459         3.064318766         2.334523724    
H         -1.477357730         2.783326707         1.960085797    
H        -0.1731485487         2.226339970         2.573948121    
O         0.1014756035E-01     3.324967783        -1.865463040    
H         0.8095236220         3.026110967        -2.316800299    
H         0.3132121245         3.627417119       -0.9837870277    
O         0.9716031982         4.019317495        0.5459402065    
H         0.3424587927         3.657195757         1.243575006    
H          1.116559978         4.934585303        0.7837017295    
O         -3.200298679       -0.3905012169         2.092901768    
H         -2.478954881       -0.7161284929         2.675210600    
H         -3.267923930        -1.029391310         1.365224695    
O         -1.830799976         1.483342272        -1.159795691    
H         -1.258310667         2.228072347        -1.434981851    
H         -2.301874387         1.786500925       -0.3583960451    
O         -1.072604536        -1.258609533         3.495061724    
H        -0.4879706494       -0.4923388942         3.357242190    
H        -0.5687344047        -2.012638818         3.157420115    
O         0.6518653242        -3.121396888         2.284635154    
H          1.464095876        -2.647986382         1.959876398    
H         0.9540083557        -3.964690194         2.621053041    
O        -0.6700473439        -2.627562488        0.3600791894E-02
H         -1.640550070        -2.603138098        0.8032756538E-01
H        -0.3044562630        -2.909196011        0.8638793554    
O          2.933642765        -1.873897562        -1.466344061    
H          2.118466514        -2.360119267        -1.779170618    
H          3.683088186        -2.362297292        -1.806662757    
O          1.947074233        0.6406194813        -1.621181580    
H          2.474499423       -0.1744002275        -1.680216009    
H          1.238180695        0.4063760184       -0.9677883147    
O        -0.8672686020        -1.499240911        -3.776676922    
H         -1.028534603        -1.720575799        -4.694015615    
H        -0.4259822573       -0.6088656194        -3.776943230    
O         -3.327920777        -2.165741375       -0.4748686475E-01
H         -3.259004498        -1.617813081       -0.8788216276    
H         -4.094760007        -2.727443395       -0.1556043940    
O          3.277578626        0.6382587905         2.143146202    
H          4.026308401        0.8703458424         2.691498600    
H          3.265506460         1.289858604         1.387111991    
O         -2.924646503         2.037597219         1.232416449    
H         -3.767510535         2.451346403         1.417643180    
H         -2.997496586         1.102132043         1.590777622    
O          2.805569549        -1.964114782         1.311459883    
H          2.980143280        -1.062207013         1.628018553    
H          2.824916038        -1.917654149        0.3396392618    
O         0.4074164279E-02   -0.4869330099E-01    0.7872377990E-02
H        -0.7433843970        0.4456387350       -0.3954155070    
H        -0.2285080666        -1.003653188       -0.3307633285E-01
O         0.7656531700        -3.106717349        -2.240996758    
H         0.2338565696        -2.584842800        -2.866902210    
H         0.2430937353        -3.098269659        -1.418728948    
O          3.116898193         2.333448158        0.1563557294    
H          2.401112007         2.965966698        0.3446132949    
H          2.790205616         1.774564056       -0.5752632233    
O         0.5777737449        0.6804455392         2.534322241    
H          1.547442876        0.6605925799         2.578110205    
H         0.3594150653        0.4078783352         1.616988944    
O         -3.015586671       -0.7444332058        -2.221297197    
H         -2.684416493        0.1179516553        -1.919309584    
H         -2.298303090        -1.122553435        -2.760924846    
    63
Energy=    -106.839454195130    
O         0.2397502643        0.8360279740        -3.701930182    
H         0.9269269011        0.7749238717        -2.997882394    
H        -0.3920152100         1.495909885        -3.404945541    
O        -0.6298173820         3.066318982         2.346484479    
H         -1.476657605         2.782486201         1.958316667    
H        -0.1770479603         2.228405414         2.579835257    
O         0.5549258521E-01     3.292991896        -1.842690578    
H         0.8565061297         2.918959220        -2.231315095    
H         0.3360283896         3.641226639       -0.9700878966    
O         0.9744847800         4.038108662        0.5731855618    
H         0.3512527267         3.664456997         1.271089889    
H          1.125408286         4.952108390        0.8130979791    
O         -3.195568761       -0.3861035112         2.086116489    
H         -2.476774732       -0.7128214719         2.670995143    
H         -3.265157397        -1.027901138         1.361287309    
O         -1.811299018         1.489361127        -1.167027644    
H         -1.224109069         2.228024963        -1.435129784    
H         -2.294271041         1.791394752       -0.3735668209    
O         -1.073796172        -1.259905215         3.495210742    
H        -0.4887764052       -0.4927591237         3.362540474    
H        -0.5681906724        -2.012613754         3.157142107    
O         0.6544753628        -3.119346360         2.282448229    
H          1.464704361        -2.644852720         1.954522310    
H         0.9589618182        -3.962287900         2.617904732    
O        -0.6702157399        -2.628314584        0.2840892546E-02
H         -1.641006233        -2.605454306        0.7864737358E-01
H        -0.3044817455        -2.909900362        0.8632535554    
O          2.926696875        -1.845048409        -1.474848641    
H          2.115920821        -2.340617571        -1.785384215    
H          3.680869044        -2.328409648        -1.810629329    
O          1.922213076        0.6626028053        -1.627246151    
H          2.454832264       -0.1489988854        -1.693628484    
H          1.218186603        0.4180984699       -0.9711326598    
O        -0.8799574049        -1.524987535        -3.786952243    
H         -1.041488560        -1.756171651        -4.701323151    
H        -0.4372297453       -0.6342043791        -3.796257001    
O         -3.327393062        -2.163081539       -0.4999473144E-01
H         -3.256227039        -1.612986807       -0.8799110896    
H         -4.096099631        -2.722064587       -0.1610300469    
O          3.277217389        0.6410976683         2.143657600    
H          4.027801845        0.8724402476         2.689576689    
H          3.261727795         1.291438540         1.386981559    
O         -2.917787642         2.039067041         1.216771843    
H         -3.758798093         2.455000796         1.404861555    
H         -2.990648335         1.106032938         1.580442506    
O          2.801781397        -1.957011461         1.301794525    
H          2.979395084        -1.057660365         1.624051365    
H          2.818402756        -1.902549513        0.3300354663    
O         0.1027329165E-02   -0.4861725759E-01    0.1352843428E-01
H        -0.7495301360        0.4433712027       -0.3887557982    
H        -0.2301529741        -1.003566256       -0.2813961595E-01
O         0.7718388571        -3.108404366        -2.237728747    
H         0.2337942771        -2.599460005        -2.868344309    
H         0.2488135939        -3.099378821        -1.415415033    
O          3.111306814         2.336361280        0.1582567282    
H          2.401779925         2.972104996        0.3555251207    
H          2.770114311         1.786160439       -0.5746905213    
O         0.5779217910        0.6835008011         2.540169389    
H          1.547533000        0.6624879500         2.582784991    
H         0.3580167406        0.4083675196         1.623766724    
O         -3.010762497       -0.7424326426        -2.221947184    
H         -2.670844318        0.1184461194        -1.923746106    
H         -2.298567510        -1.128614039        -2.761933209    
    63
Energy=    -106.839464148390    
O         0.2314037369        0.8270460454        -3.709817053    
H         0.9151431598        0.7742180336        -3.003006584    
H        -0.4066940122         1.485567346        -3.420929899    
O        -0.6318575475         3.066028261         2.350899321    
H         -1.476773173         2.783478810         1.957319556    
H        -0.1782561045         2.228682999         2.583562163    
O         0.7736740701E-01     3.279094181        -1.834220584    
H         0.8746926436         2.880510861        -2.199413851    
H         0.3431236934         3.647174624       -0.9650880417    
O         0.9766613512         4.044304398        0.5842560277    
H         0.3542815917         3.668704622         1.280859502    
H          1.127869216         4.958720011        0.8245506239    
O         -3.193956109       -0.3844987114         2.083754525    
H         -2.475805134       -0.7116408150         2.669052573    
H         -3.263940518        -1.027176779         1.359619926    
O         -1.805878216         1.491921371        -1.171451175    
H         -1.211982293         2.225735825        -1.433285083    
H         -2.290959722         1.793396938       -0.3784826377    
O         -1.074251667        -1.260466796         3.495394875    
H        -0.4891091328       -0.4929059248         3.364539993    
H        -0.5679854287        -2.012637661         3.156952245    
O         0.6553739847        -3.118629633         2.281782279    
H          1.464752774        -2.643742744         1.952454126    
H         0.9609655300        -3.961318478         2.616760126    
O        -0.6703766856        -2.628905984        0.2208559875E-02
H         -1.641106884        -2.606290107        0.7810478616E-01
H        -0.3045525725        -2.910016468        0.8629669739    
O          2.923778526        -1.834172637        -1.478307320    
H          2.115166681        -2.333404905        -1.787551444    
H          3.680033086        -2.315242132        -1.812470022    
O          1.911813434        0.6708022367        -1.630227694    
H          2.447774120       -0.1391851803        -1.698321067    
H          1.211132276        0.4233397747       -0.9729605276    
O        -0.8842912076        -1.535867603        -3.790972571    
H         -1.046736071        -1.769624198        -4.704521005    
H        -0.4418292071       -0.6452068997        -3.802880404    
O         -3.327324265        -2.161893757       -0.5080449260E-01
H         -3.255312851        -1.611260284       -0.8800657587    
H         -4.096516398        -2.719994008       -0.1630488598    
O          3.276736368        0.6419127224         2.144362604    
H          4.028253095        0.8736012739         2.688266602    
H          3.260792314         1.291697969         1.386997100    
O         -2.915645685         2.039966928         1.211351117    
H         -3.755639422         2.456638532         1.399909483    
H         -2.987924993         1.107159573         1.576222029    
O          2.800596194        -1.954109338         1.298194924    
H          2.979193073        -1.055534899         1.622527718    
H          2.815749073        -1.896935919        0.3265449160    
O        -0.1023826317E-02   -0.4907070321E-01    0.1680189731E-01
H        -0.7511176490        0.4433932501       -0.3855659299    
H        -0.2298732217        -1.004129333       -0.2642232708E-01
O         0.7737058685        -3.109046945        -2.236721395    
H         0.2333403804        -2.604385947        -2.868922301    
H         0.2514277753        -3.099569787        -1.414202979    
O          3.108928364         2.337648242        0.1582732823    
H          2.401390414         2.975333401        0.3604891356    
H          2.763777817         1.789556009       -0.5739790616    
O         0.5778003336        0.6847014189         2.541868537    
H          1.547320782        0.6631843787         2.584461408    
H         0.3578704386        0.4086479900         1.625756017    
O         -3.009132871       -0.7415015362        -2.222565158    
H         -2.666826641        0.1183747145        -1.924710654    
H         -2.299024891        -1.131419030        -2.762639585    
    63
Energy=    -106.839533584450    
O         0.2214822058        0.8169293790        -3.719358131    
H         0.9011340467        0.7730931303        -3.008548949    
H        -0.4234473892         1.473222652        -3.439363287    
O        -0.6341085412         3.066001286         2.355618866    
H         -1.476756689         2.784437361         1.956287919    
H        -0.1796877955         2.229030833         2.587729019    
O         0.1006543641         3.265324950        -1.825076021    
H         0.8969824425         2.834423542        -2.160512410    
H         0.3525308246         3.652261619       -0.9601461945    
O         0.9803652488         4.052006306        0.5977833031    
H         0.3572575379         3.674271494         1.292494645    
H          1.130380412         4.965827345        0.8383472805    
O         -3.191934391       -0.3825299438         2.080965183    
H         -2.474719938       -0.7102524267         2.666898742    
H         -3.262604309        -1.026336118         1.357673067    
O         -1.800495903         1.493803472        -1.176145710    
H         -1.196782837         2.223122870        -1.431471223    
H         -2.287003121         1.795891069       -0.3845274743    
O         -1.074649003        -1.260950826         3.495611246    
H        -0.4895646280       -0.4931855355         3.366869816    
H        -0.5677148635        -2.012649311         3.156716914    
O         0.6564268743        -3.117797893         2.280924849    
H          1.464807649        -2.642377526         1.950044145    
H         0.9632974379        -3.960180499         2.615390447    
O        -0.6704395325        -2.629582256        0.1656970293E-02
H         -1.641211345        -2.607271002        0.7744630499E-01
H        -0.3046931466        -2.910214766        0.8626121253    
O          2.920223116        -1.820908929        -1.482367808    
H          2.114207353        -2.324890742        -1.790120996    
H          3.679188181        -2.299938554        -1.814650947    
O          1.899965287        0.6801792543        -1.634437940    
H          2.439218710       -0.1274073885        -1.703668072    
H          1.202535246        0.4295360082       -0.9747814573    
O        -0.8894572920        -1.548835383        -3.795490619    
H         -1.052938896        -1.785632476        -4.708468325    
H        -0.4477730131       -0.6580605281        -3.810586875    
O         -3.327311934        -2.160732859       -0.5179654963E-01
H         -3.254202489        -1.609145376       -0.8803726360    
H         -4.096927767        -2.717477880       -0.1653917528    
O          3.276037239        0.6429504690         2.144675258    
H          4.029068208        0.8749787583         2.687025118    
H          3.259682034         1.292131875         1.387119914    
O         -2.912433057         2.040778691         1.205103667    
H         -3.752336286         2.458720598         1.394138983    
H         -2.984829588         1.108567660         1.571045906    
O          2.799295354        -1.950691868         1.293844005    
H          2.978849276        -1.053164670         1.620719849    
H          2.812605388        -1.890264782        0.3224343436    
O        -0.3190784088E-02   -0.4931763471E-01    0.2048532846E-01
H        -0.7528815543        0.4433179808       -0.3821660105    
H        -0.2300857201        -1.004851679       -0.2444549069E-01
O         0.7760888644        -3.109815994        -2.235544317    
H         0.2328779467        -2.610323346        -2.869587518    
H         0.2543521918        -3.099843394        -1.412775899    
O          3.105686926         2.338933227        0.1584894564    
H          2.400975305         2.979221314        0.3661228815    
H          2.756215647         1.793772052       -0.5731664437    
O         0.5775840901        0.6858673515         2.544043835    
H          1.547186286        0.6640371389         2.586476648    
H         0.3575665225        0.4090685396         1.628313698    
O         -3.007106633       -0.7399514031        -2.222928579    
H         -2.661691910        0.1182862452        -1.926160613    
H         -2.299236754        -1.134653881        -2.763542005    
    63
Energy=    -106.839646377420    
O         0.2037781723        0.8015564697        -3.741017527    
H         0.8752221851        0.7716280018        -3.021763108    
H        -0.4496564699         1.452015699        -3.469987540    
O        -0.6356809870         3.065979907         2.363946665    
H         -1.475633292         2.787904807         1.955776279    
H        -0.1844132839         2.227391553         2.598785973    
O         0.1421508712         3.232700237        -1.807239689    
H         0.9364604351         2.762576911        -2.082306109    
H         0.3768056734         3.657062093       -0.9596318847    
O         0.9881396014         4.064320282        0.6196298313    
H         0.3595721208         3.687077711         1.309412153    
H          1.133478031         4.978386820        0.8639954120    
O         -3.188475195       -0.3794324068         2.076375777    
H         -2.472188644       -0.7077648618         2.662717553    
H         -3.260136983        -1.023653433         1.353924868    
O         -1.795782286         1.497779745        -1.188498326    
H         -1.172009432         2.217222116        -1.426157384    
H         -2.277903690         1.801116667       -0.3934526357    
O         -1.074892159        -1.261996552         3.495927807    
H        -0.4905500424       -0.4936669185         3.370590092    
H        -0.5674641355        -2.012350576         3.156217359    
O         0.6582687632        -3.116213496         2.279544835    
H          1.464785509        -2.639803178         1.945945595    
H         0.9677032320        -3.958110362         2.613200525    
O        -0.6706769783        -2.631690303        0.4322538803E-03
H         -1.641166798        -2.608466792        0.7633642838E-01
H        -0.3052010285        -2.910389739        0.8615727715    
O          2.913596742        -1.797974240        -1.489679259    
H          2.112645476        -2.311538846        -1.794512831    
H          3.676931295        -2.271780749        -1.819818046    
O          1.877891139        0.6974282974        -1.642183290    
H          2.424735074       -0.1044031440        -1.713412117    
H          1.186876743        0.4406584951       -0.9772425141    
O        -0.8965395147        -1.575206756        -3.803650744    
H         -1.064775261        -1.813208655        -4.715389451    
H        -0.4573695879       -0.6842513201        -3.821809492    
O         -3.327363940        -2.158592351       -0.5318503748E-01
H         -3.252651039        -1.606047157       -0.8807722888    
H         -4.098028957        -2.713657223       -0.1687911704    
O          3.275032092        0.6448489671         2.145787482    
H          4.030676032        0.8779178414         2.684494588    
H          3.258100839         1.292083008         1.386802597    
O         -2.907620116         2.043069074         1.195183588    
H         -3.747291088         2.461969969         1.384291865    
H         -2.980281313         1.111129041         1.561182354    
O          2.797366554        -1.944019181         1.286564708    
H          2.977989236        -1.048553176         1.617588721    
H          2.806695358        -1.878740065        0.3157849335    
O        -0.6499356821E-02   -0.5022913316E-01    0.2911555017E-01
H        -0.7546544733        0.4433415189       -0.3745979798    
H        -0.2287835359        -1.007185788       -0.2162352595E-01
O         0.7798999123        -3.109927546        -2.234776102    
H         0.2304891331        -2.619051134        -2.870422968    
H         0.2599626364        -3.099485487        -1.411028248    
O          3.098694469         2.343423630        0.1604346927    
H          2.400027768         2.985642420        0.3748491305    
H          2.746253537         1.800003353       -0.5694924601    
O         0.5769877946        0.6869209075         2.546972853    
H          1.546118014        0.6658538055         2.589918352    
H         0.3575620821        0.4102073026         1.631321604    
O         -3.004628268       -0.7393562279        -2.224694513    
H         -2.654676004        0.1178999990        -1.928241294    
H         -2.301391561        -1.139612252        -2.765738178    
    63
Energy=    -106.839765662590    
O         0.1910950208        0.7926359301        -3.751256989    
H         0.8615653445        0.7655332758        -3.032881570    
H        -0.4568312438         1.448731797        -3.482855269    
O        -0.6352356667         3.066737319         2.368111543    
H         -1.473339570         2.789099602         1.957695388    
H        -0.1885671796         2.226465337         2.604563743    
O         0.1612820552         3.213334250        -1.793908295    
H         0.9534720199         2.725078980        -2.043872792    
H         0.3927800574         3.655769676       -0.9539688296    
O         0.9903879226         4.072019517        0.6266854520    
H         0.3587822873         3.694001341         1.312747504    
H          1.135974203         4.983283926        0.8779334543    
O         -3.186474719       -0.3774062351         2.074301825    
H         -2.470615970       -0.7064291824         2.661179038    
H         -3.259209246        -1.021783848         1.352015093    
O         -1.792414510         1.499247246        -1.193825380    
H         -1.161732741         2.217488624        -1.426252466    
H         -2.271020026         1.804713691       -0.4003387975    
O         -1.075242365        -1.262306851         3.496108307    
H        -0.4907398362       -0.4935879446         3.371874117    
H        -0.5670941001        -2.012277608         3.155756742    
O         0.6595259057        -3.115176700         2.278654000    
H          1.465155056        -2.638117698         1.944171545    
H         0.9698770007        -3.956879057         2.611997116    
O        -0.6704779862        -2.632376397       -0.2217608574E-03
H         -1.641328592        -2.608533102        0.7567622127E-01
H        -0.3054523948        -2.911056151        0.8614167036    
O          2.910133880        -1.786463464        -1.493296734    
H          2.111566800        -2.305537869        -1.796770637    
H          3.675204781        -2.257209829        -1.822867746    
O          1.865917382        0.7079179939        -1.644174484    
H          2.416966623       -0.9039238416E-01    -1.719866575    
H          1.178167708        0.4443585778       -0.9770257873    
O        -0.8992330523        -1.590175102        -3.806761297    
H         -1.070991056        -1.827099450        -4.717964732    
H        -0.4614765149       -0.6978076096        -3.826627404    
O         -3.327345923        -2.158406889       -0.5404236663E-01
H         -3.251936698        -1.605307220       -0.8814773526    
H         -4.098994225        -2.712288793       -0.1696974579    
O          3.275763427        0.6460360945         2.145782629    
H          4.031644246        0.8790549261         2.683999481    
H          3.256880796         1.292223315         1.386891044    
O         -2.904970221         2.044654844         1.190790948    
H         -3.745197246         2.462806762         1.379732878    
H         -2.978962411         1.112804329         1.555932695    
O          2.796108413        -1.941148107         1.283062926    
H          2.976908302        -1.046447349         1.616524674    
H          2.803727183        -1.872752301        0.3121357753    
O        -0.6480195019E-02   -0.5062965399E-01    0.3194326399E-01
H        -0.7555430345        0.4419489360       -0.3717583603    
H        -0.2283408223        -1.007959231       -0.2013669086E-01
O         0.7821713448        -3.108573371        -2.234830189    
H         0.2289562944        -2.623259964        -2.871030207    
H         0.2622417901        -3.099176303        -1.410834588    
O          3.096116398         2.346093916        0.1632659223    
H          2.398100872         2.990008238        0.3778089577    
H          2.741684766         1.802910505       -0.5672672220    
O         0.5764134125        0.6863318103         2.549422690    
H          1.545781792        0.6671908693         2.591791661    
H         0.3569987865        0.4108854189         1.633109021    
O         -3.003068131       -0.7390399714        -2.224661292    
H         -2.650208177        0.1179882755        -1.931242654    
H         -2.302316914        -1.140992086        -2.767856952    
    63
Energy=    -106.839823126220    
O         0.1806893752        0.7861767536        -3.759713942    
H         0.8528634363        0.7595491301        -3.042912678    
H        -0.4617358213         1.448287211        -3.492167385    
O        -0.6340278764         3.067567350         2.370823568    
H         -1.471866733         2.790629186         1.959682435    
H        -0.1915160032         2.225835137         2.609586347    
O         0.1792894332         3.200975824        -1.784151086    
H         0.9667133722         2.695800849        -2.015560957    
H         0.4046953345         3.651245039       -0.9468849226    
O         0.9926383994         4.078299581        0.6323780638    
H         0.3567465303         3.699127838         1.313320171    
H          1.138124775         4.987890826        0.8893734237    
O         -3.184598951       -0.3755876566         2.072621708    
H         -2.469467692       -0.7054437585         2.659982098    
H         -3.258639504        -1.020037964         1.350659147    
O         -1.789360712         1.499925228        -1.197494664    
H         -1.155162333         2.214116505        -1.427624695    
H         -2.267457478         1.807848018       -0.4041407301    
O         -1.075290050        -1.262559496         3.496217943    
H        -0.4908365047       -0.4936328023         3.372484926    
H        -0.5668480734        -2.011994278         3.155386196    
O         0.6603768112        -3.114499383         2.277849597    
H          1.465573150        -2.636536610         1.942962295    
H         0.9715812607        -3.955721931         2.611086165    
O        -0.6704307191        -2.632498654       -0.3979387602E-03
H         -1.641097248        -2.608406515        0.7502195842E-01
H        -0.3057234681        -2.911846107        0.8612417380    
O          2.907171186        -1.777587839        -1.496516139    
H          2.110642177        -2.300727467        -1.798469335    
H          3.673530837        -2.245345234        -1.825632896    
O          1.856099733        0.7161808175        -1.645287505    
H          2.410987956       -0.7920978618E-01    -1.724837591    
H          1.172043705        0.4473483650       -0.9772150362    
O        -0.9011327228        -1.601889933        -3.808959968    
H         -1.076082236        -1.838074176        -4.719791074    
H        -0.4652799938       -0.7092467698        -3.829570559    
O         -3.327239319        -2.158495001       -0.5482981578E-01
H         -3.251707848        -1.605253443       -0.8819723161    
H         -4.099749507        -2.711427757       -0.1698755967    
O          3.277120058        0.6464045426         2.146290437    
H          4.032145844        0.8799617514         2.683462666    
H          3.256064804         1.293275094         1.386899566    
O         -2.903354798         2.046944023         1.188708853    
H         -3.743251110         2.463008130         1.375982730    
H         -2.978272256         1.113891778         1.551684651    
O          2.795276101        -1.938854886         1.280323752    
H          2.975777591        -1.044866150         1.615735792    
H          2.801335733        -1.868018590        0.3095507712    
O        -0.6576102679E-02   -0.5121940573E-01    0.3285049196E-01
H        -0.7562388535        0.4405049343       -0.3699321985    
H        -0.2282963777        -1.008205095       -0.1902410725E-01
O         0.7839742353        -3.107040202        -2.234875422    
H         0.2276822012        -2.626249775        -2.871865399    
H         0.2640155773        -3.098975221        -1.410965328    
O          3.093228962         2.348153697        0.1658699923    
H          2.396473887         2.993459541        0.3795879577    
H          2.739339230         1.805338503       -0.5645367357    
O         0.5759426705        0.6850358784         2.551667139    
H          1.545243414        0.6684047470         2.593320630    
H         0.3565089244        0.4116974792         1.634894591    
O         -3.001619085       -0.7390751410        -2.224951109    
H         -2.647188043        0.1183700760        -1.934055283    
H         -2.303338185        -1.141969206        -2.769785903    
    63
Energy=    -106.839928743350    
O         0.1753251666        0.7837823305        -3.761666570    
H         0.8531259895        0.7553965098        -3.051666447    
H        -0.4603254332         1.452962918        -3.494168153    
O        -0.6325015401         3.068029529         2.370857226    
H         -1.471986565         2.792482706         1.961854670    
H        -0.1916484984         2.226641455         2.611932833    
O         0.1900526874         3.200907437        -1.783147420    
H         0.9713229131         2.685212828        -2.006912067    
H         0.4101036849         3.641706553       -0.9391940537    
O         0.9932365695         4.082193016        0.6346423131    
H         0.3537659296         3.699343371         1.309593898    
H          1.139863896         4.991236025        0.8945043848    
O         -3.183272303       -0.3739968014         2.071643626    
H         -2.469116825       -0.7051948218         2.659640626    
H         -3.258752080        -1.019057946         1.350330285    
O         -1.789287718         1.497717972        -1.194901456    
H         -1.153993910         2.207695673        -1.432389512    
H         -2.269825207         1.809242151       -0.4032939406    
O         -1.075304271        -1.262556641         3.496219986    
H        -0.4906310331       -0.4938035735         3.371806158    
H        -0.5666716650        -2.011803659         3.155114762    
O         0.6606920484        -3.114077256         2.277082499    
H          1.465766337        -2.635512476         1.943014895    
H         0.9723119868        -3.955055684         2.610933547    
O        -0.6700244354        -2.631411323        0.1654265221E-04
H         -1.640893343        -2.607991414        0.7452535381E-01
H        -0.3058537096        -2.912844795        0.8612626103    
O          2.905139827        -1.773726666        -1.497967308    
H          2.109720775        -2.298514240        -1.799242936    
H          3.672855379        -2.240198634        -1.828004361    
O          1.853689828        0.7197270667        -1.645634298    
H          2.408851839       -0.7486435178E-01    -1.726644429    
H          1.170234412        0.4479443444       -0.9772129834    
O        -0.9024818185        -1.606440371        -3.809036782    
H         -1.078344902        -1.842409915        -4.719878505    
H        -0.4672053279       -0.7136212754        -3.829409547    
O         -3.327144024        -2.159185121       -0.5497873382E-01
H         -3.252372094        -1.606414935       -0.8823747279    
H         -4.099993826        -2.711647573       -0.1686052798    
O          3.277938291        0.6461438436         2.145320712    
H          4.033134212        0.8806461241         2.684035275    
H          3.255939095         1.294891201         1.388339432    
O         -2.901570027         2.048142961         1.190229599    
H         -3.744265460         2.463379759         1.374707230    
H         -2.978420713         1.114533827         1.550219001    
O          2.794975621        -1.938225026         1.279519857    
H          2.974862044        -1.044224891         1.615630274    
H          2.800350945        -1.866061354        0.3089469405    
O        -0.6206216175E-02   -0.5133981357E-01    0.3053647211E-01
H        -0.7576636660        0.4390751293       -0.3706261721    
H        -0.2291916739        -1.008361798       -0.1876504793E-01
O         0.7847483974        -3.105641759        -2.234909797    
H         0.2273617493        -2.626905447        -2.872952396    
H         0.2645090623        -3.098964876        -1.411563202    
O          3.092353662         2.348743477        0.1691441873    
H          2.394851071         2.995244686        0.3790406858    
H          2.740248611         1.806281203       -0.5625195481    
O         0.5755261714        0.6832167157         2.553616496    
H          1.545010126        0.6690808913         2.594174200    
H         0.3560697255        0.4122615371         1.636174422    
O         -3.001367153       -0.7392440335        -2.225512909    
H         -2.647336325        0.1186920320        -1.936507696    
H         -2.303775185        -1.142499199        -2.771415239    
    63
Energy=    -106.839974780890    
O         0.1729664185        0.7814377068        -3.762787581    
H         0.8525109099        0.7559279509        -3.053686342    
H        -0.4624169079         1.451504566        -3.497285663    
O        -0.6332906229         3.068215301         2.371422674    
H         -1.472630778         2.793029418         1.961928610    
H        -0.1908711321         2.227223789         2.612399225    
O         0.1946797265         3.200267251        -1.783503956    
H         0.9752827226         2.677462015        -1.999883957    
H         0.4121887277         3.640221529       -0.9383175236    
O         0.9936699184         4.084228242        0.6371589012    
H         0.3544100897         3.699355211         1.311746870    
H          1.140490169         4.992919471        0.8969637509    
O         -3.182673312       -0.3734302488         2.070914772    
H         -2.469090121       -0.7049224325         2.659166421    
H         -3.258572392        -1.018995246         1.350072354    
O         -1.788775528         1.496974341        -1.193790238    
H         -1.151415322         2.205431750        -1.433249962    
H         -2.270738558         1.809649429       -0.4035021150    
O         -1.075358333        -1.262626450         3.496142679    
H        -0.4907335940       -0.4940408467         3.372002328    
H        -0.5666768714        -2.011845828         3.155082933    
O         0.6608115543        -3.114005170         2.276868445    
H          1.465784343        -2.635154280         1.942689612    
H         0.9727268801        -3.954716327         2.610769493    
O        -0.6700424067        -2.631102492        0.1489207978E-03
H         -1.640753826        -2.608141684        0.7432705402E-01
H        -0.3058446618        -2.913018673        0.8611355707    
O          2.904597473        -1.771285712        -1.498772389    
H          2.109267983        -2.296539177        -1.799831810    
H          3.672535117        -2.237172923        -1.828747720    
O          1.852654972        0.7213436254        -1.646441057    
H          2.407643096       -0.7367299263E-01    -1.727319094    
H          1.169216938        0.4490561992       -0.9780199757    
O        -0.9040920925        -1.607786585        -3.809624248    
H         -1.079394273        -1.845246999        -4.720380225    
H        -0.4685235481       -0.7153874732        -3.830753543    
O         -3.327160011        -2.159039754       -0.5500430088E-01
H         -3.252438054        -1.606377995       -0.8825011023    
H         -4.099984955        -2.711390408       -0.1685737956    
O          3.278133632        0.6461748385         2.145644010    
H          4.033082119        0.8808519027         2.683717138    
H          3.255812005         1.295609705         1.388897294    
O         -2.901488639         2.048718284         1.189818436    
H         -3.743604900         2.463774033         1.373535892    
H         -2.977597824         1.114765022         1.549866783    
O          2.794695919        -1.937566939         1.278875334    
H          2.974784517        -1.043876463         1.615279545    
H          2.799806574        -1.864864515        0.3083964161    
O        -0.6835651356E-02   -0.5135072120E-01    0.3037352092E-01
H        -0.7587784746        0.4388553141       -0.3705227648    
H        -0.2294915878        -1.008512482       -0.1846873152E-01
O         0.7851790766        -3.105876033        -2.234797990    
H         0.2276514165        -2.627987750        -2.873229167    
H         0.2648923033        -3.099039341        -1.411242546    
O          3.091581782         2.348767372        0.1694396750    
H          2.394918963         2.995778729        0.3799121340    
H          2.739519322         1.807335309       -0.5619973647    
O         0.5755624604        0.6833691830         2.554131983    
H          1.545040652        0.6691260037         2.594681409    
H         0.3559775313        0.4122719440         1.636949416    
O         -3.001374073       -0.7390587734        -2.226037185    
H         -2.647130293        0.1185442091        -1.937038758    
H         -2.303785467        -1.143399333        -2.771639011    
    63
Energy=    -106.840019074760    
O         0.1739081133        0.7819739325        -3.760890429    
H         0.8553638836        0.7566455433        -3.053713193    
H        -0.4595805034         1.453757718        -3.495109641    
O        -0.6334877411         3.068178408         2.370789790    
H         -1.473366548         2.793130864         1.962161111    
H        -0.1896496469         2.227782539         2.611503468    
O         0.1920567992         3.202519647        -1.785498466    
H         0.9723440198         2.682412718        -2.004664659    
H         0.4111387305         3.638386422       -0.9389330900    
O         0.9927622835         4.083363701        0.6353440189    
H         0.3546580268         3.698179706         1.310801186    
H          1.140338027         4.992434992        0.8954649467    
O         -3.182830702       -0.3735404944         2.071049802    
H         -2.469316415       -0.7050143869         2.659317451    
H         -3.258698217        -1.019247634         1.350345812    
O         -1.789562646         1.496126256        -1.192062428    
H         -1.153397873         2.205001033        -1.433971144    
H         -2.271876266         1.809447250       -0.4025440925    
O         -1.075404213        -1.262668730         3.496003073    
H        -0.4906770464       -0.4940916347         3.371623574    
H        -0.5667757936        -2.011956827         3.155113804    
O         0.6606722983        -3.114064842         2.276978323    
H          1.465735484        -2.635286326         1.942989461    
H         0.9724906610        -3.954782730         2.610988319    
O        -0.6700005976        -2.630789442        0.2639833823E-03
H         -1.640693524        -2.608017008        0.7439194097E-01
H        -0.3057717076        -2.913040504        0.8611515983    
O          2.905069240        -1.772626759        -1.498337824    
H          2.109182954        -2.296959656        -1.799619712    
H          3.672569778        -2.238746127        -1.828769457    
O          1.854898586        0.7201572720        -1.646124117    
H          2.408994150       -0.7582338083E-01    -1.726525330    
H          1.170645905        0.4484002013       -0.9783807335    
O        -0.9042258360        -1.605537638        -3.808945931    
H         -1.078592346        -1.843435151        -4.719690409    
H        -0.4682147901       -0.7132394849        -3.830010143    
O         -3.327179286        -2.159143656       -0.5475512881E-01
H         -3.252709076        -1.606913110       -0.8825213978    
H         -4.099929592        -2.711876383       -0.1679845967    
O          3.278162542        0.6459972137         2.145829752    
H          4.032931076        0.8806536368         2.683853248    
H          3.256025848         1.295909783         1.389535705    
O         -2.902226911         2.048767107         1.190806645    
H         -3.744127949         2.463778793         1.374144843    
H         -2.977476175         1.114668501         1.551103217    
O          2.794738091        -1.937982764         1.279454718    
H          2.974877421        -1.044165216         1.615515132    
H          2.800172679        -1.865622197        0.3089152912    
O        -0.7032770900E-02   -0.5135315173E-01    0.2968589902E-01
H        -0.7591594025        0.4388349728       -0.3713973191    
H        -0.2294395032        -1.008561887       -0.1872188084E-01
O         0.7848004941        -3.106106448        -2.234938941    
H         0.2280849273        -2.627390347        -2.873262343    
H         0.2644712394        -3.098962151        -1.411343447    
O          3.092046000         2.348574279        0.1694391237    
H          2.394966233         2.995557667        0.3794960488    
H          2.740652150         1.806852432       -0.5621095729    
O         0.5757222168        0.6835630917         2.553889824    
H          1.545191278        0.6688208405         2.594580974    
H         0.3559749632        0.4120019448         1.636833951    
O         -3.001889802       -0.7392870270        -2.226527622    
H         -2.648133622        0.1184982837        -1.936989516    
H         -2.303708494        -1.143386055        -2.771513992    
    63
Energy=    -106.840265096940    
O         0.1681015755        0.7774441743        -3.766806642    
H         0.8617087801        0.7510503850        -3.072882573    
H        -0.4388036107         1.475106474        -3.505589647    
O        -0.6342334528         3.074690259         2.372937773    
H         -1.475795885         2.794357099         1.971477343    
H        -0.1842510266         2.236208052         2.607091278    
O         0.2098719823         3.172071292        -1.778275281    
H         0.9770853829         2.622116922        -1.971298036    
H         0.4251434534         3.616606964       -0.9358683083    
O         0.9952486740         4.089001235        0.6434983592    
H         0.3558918453         3.703720702         1.317529467    
H          1.142989226         4.996093183        0.9102615470    
O         -3.180638491       -0.3707697745         2.067527592    
H         -2.467503598       -0.7019470838         2.656099308    
H         -3.256151814        -1.017001866         1.347385282    
O         -1.794553755         1.496075724        -1.195094665    
H         -1.150132648         2.197440619        -1.435399865    
H         -2.268474931         1.814936562       -0.4027841646    
O         -1.076474883        -1.264042014         3.493907056    
H        -0.4916920693       -0.4958056514         3.371012587    
H        -0.5679284438        -2.014673949         3.153669198    
O         0.6616755282        -3.112210631         2.277720422    
H          1.464608923        -2.632743921         1.940716450    
H         0.9762118763        -3.952474909         2.611198490    
O        -0.6690397889        -2.633731974       -0.1369957347E-02
H         -1.639723795        -2.606388664        0.7401439555E-01
H        -0.3052584129        -2.913319891        0.8603315342    
O          2.900275055        -1.754968015        -1.504618463    
H          2.104627589        -2.281358745        -1.803261262    
H          3.667825821        -2.217373810        -1.840200412    
O          1.854971065        0.7255203354        -1.653685685    
H          2.411210495       -0.7031119038E-01    -1.730371099    
H          1.167875604        0.4548545296       -0.9892066741    
O        -0.9148212507        -1.617499406        -3.808740419    
H         -1.087155109        -1.860797334        -4.718446020    
H        -0.4922868270       -0.7199712317        -3.831582737    
O         -3.326846739        -2.160146539       -0.5577754320E-01
H         -3.256187086        -1.611547922       -0.8861285817    
H         -4.100445993        -2.713881694       -0.1618846582    
O          3.278172575        0.6491349206         2.152714050    
H          4.036399431        0.8787557325         2.689289188    
H          3.253707415         1.301888325         1.399561627    
O         -2.902074607         2.057078286         1.192014600    
H         -3.747947110         2.465505485         1.371018872    
H         -2.972178843         1.124312598         1.554863971    
O          2.792589736        -1.934095045         1.275600954    
H          2.974298756        -1.041781568         1.615488856    
H          2.795831930        -1.857958823        0.3054724641    
O        -0.8708022232E-02   -0.5120464162E-01    0.2984722954E-01
H        -0.7629845769        0.4332137701       -0.3743736020    
H        -0.2271706992        -1.008852046       -0.1921600338E-01
O         0.7877020556        -3.106547680        -2.234516705    
H         0.2301919675        -2.633007492        -2.875796564    
H         0.2654427724        -3.096667437        -1.412214073    
O          3.089746786         2.355439575        0.1774107806    
H          2.393504810         3.003912881        0.3834040770    
H          2.740677106         1.813053654       -0.5554393179    
O         0.5766443561        0.6878979643         2.554546070    
H          1.546012916        0.6651638289         2.597357115    
H         0.3557969763        0.4099482807         1.639831495    
O         -3.007383496       -0.7425819249        -2.232194557    
H         -2.651403710        0.1137434194        -1.944217411    
H         -2.307280688        -1.149922761        -2.774049020    
    63
Energy=    -106.840317133210    
O         0.1693634689        0.7777259105        -3.766682576    
H         0.8630813740        0.7506113343        -3.072987188    
H        -0.4356773723         1.477158263        -3.505740232    
O        -0.6346906737         3.074255372         2.374049161    
H         -1.476206641         2.795428658         1.971005901    
H        -0.1832807856         2.236047363         2.606744019    
O         0.2080036903         3.170213293        -1.778637338    
H         0.9754704564         2.620647740        -1.971946446    
H         0.4243689902         3.617189426       -0.9377322026    
O         0.9949567774         4.088298358        0.6425444843    
H         0.3560634693         3.703458685         1.317249811    
H          1.143314164         4.995332510        0.9084325897    
O         -3.180275264       -0.3699874765         2.067335400    
H         -2.467751001       -0.7022401081         2.656191331    
H         -3.256111667        -1.016450277         1.347284281    
O         -1.794864179         1.495461055        -1.193895767    
H         -1.151517717         2.198007896        -1.435483343    
H         -2.269584647         1.814148417       -0.4025390995    
O         -1.076432559        -1.264407701         3.493541455    
H        -0.4913257694       -0.4957547670         3.370873853    
H        -0.5681371411        -2.014204559         3.153790257    
O         0.6616236173        -3.112517112         2.277690428    
H          1.464708627        -2.632716093         1.940929102    
H         0.9761140778        -3.952297602         2.611405519    
O        -0.6690560123        -2.633205698       -0.1229724218E-02
H         -1.639707829        -2.606639184        0.7381268612E-01
H        -0.3052025309        -2.913583330        0.8603038139    
O          2.900190201        -1.755945678        -1.504232276    
H          2.104411376        -2.281818876        -1.803536409    
H          3.667788114        -2.217394604        -1.841224857    
O          1.857051515        0.7258426879        -1.652765254    
H          2.411386410       -0.7073116839E-01    -1.729497435    
H          1.169240401        0.4534307829       -0.9894380147    
O        -0.9150924817        -1.615770413        -3.808207706    
H         -1.087152803        -1.859913143        -4.717799151    
H        -0.4923723181       -0.7181609848        -3.831515729    
O         -3.326601336        -2.160525842       -0.5598903603E-01
H         -3.257007194        -1.611665679       -0.8865154334    
H         -4.099857662        -2.713735469       -0.1614159906    
O          3.278211088        0.6486267892         2.153452356    
H          4.036156973        0.8786050008         2.689541422    
H          3.254091555         1.302314051         1.400847118    
O         -2.901807512         2.057313434         1.193895613    
H         -3.748925697         2.466008602         1.371281859    
H         -2.972698279         1.124046519         1.555066447    
O          2.792433616        -1.933681145         1.275708082    
H          2.974552950        -1.041692600         1.615378828    
H          2.796024741        -1.857708647        0.3056036581    
O        -0.8080867356E-02   -0.5104324052E-01    0.2706561871E-01
H        -0.7633479939        0.4338447632       -0.3742557710    
H        -0.2266540401        -1.009055313       -0.1918853099E-01
O         0.7882290424        -3.105121469        -2.234287282    
H         0.2302162590        -2.633042563        -2.876169039    
H         0.2654597637        -3.097182204        -1.412098839    
O          3.089918645         2.354643033        0.1775475464    
H          2.393670691         3.004408934        0.3840684031    
H          2.741617576         1.813485848       -0.5553037582    
O         0.5763542244        0.6871506950         2.554416507    
H          1.545627700        0.6653459530         2.597199185    
H         0.3560470658        0.4106391525         1.639183814    
O         -3.007716988       -0.7441755485        -2.231788315    
H         -2.653069718        0.1140394529        -1.943947557    
H         -2.309030837        -1.150603884        -2.773880769    
    63
Energy=    -106.840388675780    
O         0.1809698782        0.7794453839        -3.775198362    
H         0.8768224594        0.7440432824        -3.084906953    
H        -0.4011346277         1.499590080        -3.518957630    
O        -0.6312860775         3.076893926         2.380237774    
H         -1.474957664         2.806312990         1.976483612    
H        -0.1824073210         2.235659356         2.607282040    
O         0.2123046993         3.139854164        -1.782468410    
H         0.9729224919         2.571830581        -1.946634808    
H         0.4253697261         3.608833298       -0.9542897159    
O         0.9933902897         4.085377802        0.6399960403    
H         0.3558873642         3.706190709         1.319117616    
H          1.147410556         4.993194755        0.9009444637    
O         -3.177032637       -0.3653787267         2.063726853    
H         -2.467549634       -0.7010136910         2.654518035    
H         -3.253658300        -1.009255430         1.341553951    
O         -1.810881592         1.488733742        -1.188061500    
H         -1.163885275         2.186541660        -1.431785598    
H         -2.279786313         1.811122451       -0.3941361877    
O         -1.077077847        -1.264696813         3.491815635    
H        -0.4909700373       -0.4968528015         3.369253054    
H        -0.5686205298        -2.014802039         3.151936197    
O         0.6622635109        -3.113002168         2.277092966    
H          1.464207352        -2.630928671         1.941238793    
H         0.9785917602        -3.950768414         2.614217404    
O        -0.6675787753        -2.632382021       -0.1712495533E-02
H         -1.638697397        -2.607411170        0.7131380772E-01
H        -0.3052536612        -2.915548331        0.8595188092    
O          2.898977853        -1.752446421        -1.505472952    
H          2.102415798        -2.277066960        -1.805791349    
H          3.664945860        -2.203568598        -1.858749574    
O          1.868222464        0.7288661157        -1.651457685    
H          2.422129465       -0.6883288102E-01    -1.726980160    
H          1.175365312        0.4530464542       -0.9947052141    
O        -0.9239987880        -1.609276300        -3.804391621    
H         -1.092843110        -1.859725512        -4.712647041    
H        -0.5026262775       -0.7114214348        -3.831720974    
O         -3.325195132        -2.161789143       -0.5550833315E-01
H         -3.262169385        -1.615027090       -0.8886522708    
H         -4.098156120        -2.716961253       -0.1532355429    
O          3.278458695        0.6495262295         2.163323819    
H          4.038143605        0.8758645806         2.698260998    
H          3.254166765         1.306360070         1.413718038    
O         -2.904381054         2.065370057         1.205146004    
H         -3.755412667         2.470293945         1.372290160    
H         -2.974390996         1.129090698         1.559648830    
O          2.790423890        -1.927567291         1.274028317    
H          2.976274133        -1.036547258         1.614570618    
H          2.794468381        -1.850949119        0.3041343105    
O        -0.3174126628E-02   -0.5000919077E-01    0.1562591508E-01
H        -0.7643052522        0.4343915724       -0.3760948213    
H        -0.2210634946        -1.008271787       -0.2494656206E-01
O         0.7898864449        -3.099732316        -2.236167349    
H         0.2288024808        -2.631021416        -2.877487018    
H         0.2685547975        -3.096267369        -1.412892101    
O          3.091964565         2.357421144        0.1892120349    
H          2.395827187         3.007990981        0.3919991242    
H          2.749676415         1.818355098       -0.5489358360    
O         0.5736655868        0.6834062873         2.548335486    
H          1.542599858        0.6653739309         2.598246037    
H         0.3582123679        0.4154077115         1.629338457    
O         -3.023686769       -0.7521759464        -2.231836575    
H         -2.670385054        0.1065883518        -1.945495461    
H         -2.324244995        -1.159522242        -2.773295618    
    63
Energy=    -106.840437874570    
O         0.2002571869        0.7835960756        -3.779145330    
H         0.8965704382        0.7370291687        -3.090299247    
H        -0.3636020478         1.520780565        -3.530064182    
O        -0.6238922927         3.078896749         2.383378961    
H         -1.471070344         2.816733010         1.983153362    
H        -0.1869525034         2.231208783         2.609647462    
O         0.2064361637         3.123449663        -1.793045320    
H         0.9638331450         2.546088052        -1.937909556    
H         0.4159374655         3.604067434       -0.9709641568    
O         0.9860854838         4.079896142        0.6247630007    
H         0.3568050663         3.704911538         1.313549826    
H          1.150840941         4.986623846        0.8823165258    
O         -3.177196266       -0.3634448399         2.062326163    
H         -2.467564493       -0.6999494319         2.652327838    
H         -3.250362358        -1.003395032         1.336103004    
O         -1.830622421         1.477846641        -1.175706456    
H         -1.186378918         2.173835294        -1.428463178    
H         -2.295703358         1.804824416       -0.3802422074    
O         -1.076668921        -1.265026323         3.491844337    
H        -0.4915900698       -0.4969324530         3.365314995    
H        -0.5692795840        -2.015016996         3.149868553    
O         0.6626903125        -3.114190134         2.276860219    
H          1.463947733        -2.630303066         1.942614247    
H         0.9803475874        -3.950004124         2.617789987    
O        -0.6656135755        -2.631397063       -0.3139979436E-02
H         -1.636916920        -2.607312711        0.6892035513E-01
H        -0.3055793245        -2.916210912        0.8585322363    
O          2.902579126        -1.757178331        -1.505792957    
H          2.104121926        -2.279271179        -1.804334490    
H          3.665463394        -2.201016826        -1.874792922    
O          1.882087582        0.7264699493        -1.648534924    
H          2.438704286       -0.6955236687E-01    -1.721760163    
H          1.186472488        0.4513192153       -0.9944546977    
O        -0.9291380195        -1.592007850        -3.797949185    
H         -1.094631819        -1.845573985        -4.706071877    
H        -0.5006961316       -0.6978198425        -3.829180205    
O         -3.324707143        -2.163550075       -0.5119277612E-01
H         -3.266160739        -1.619350685       -0.8864114302    
H         -4.096384403        -2.721580535       -0.1448588932    
O          3.278533385        0.6506632832         2.173335677    
H          4.039401684        0.8726627426         2.708562968    
H          3.255398241         1.307135152         1.423278999    
O         -2.909140376         2.071039914         1.212837140    
H         -3.761391405         2.473401850         1.378451275    
H         -2.978662462         1.135046722         1.568055759    
O          2.789510717        -1.922672531         1.274982378    
H          2.977268344        -1.031735065         1.614790959    
H          2.795533251        -1.848538139        0.3051809541    
O         0.1280984663E-02   -0.4803217278E-01    0.7962924358E-02
H        -0.7624706600        0.4345705258       -0.3816960256    
H        -0.2158947382        -1.006011992       -0.3469872901E-01
O         0.7863461702        -3.098515453        -2.241574652    
H         0.2248163057        -2.620253088        -2.875579171    
H         0.2708780015        -3.093202101        -1.414603329    
O          3.098792888         2.358811714        0.1992741924    
H          2.397520798         3.005548270        0.3982194505    
H          2.761461638         1.820041690       -0.5409332081    
O         0.5696494182        0.6822989887         2.537922135    
H          1.537859174        0.6648838894         2.596211382    
H         0.3623496561        0.4186109741         1.615700898    
O         -3.044382913       -0.7580089863        -2.233658471    
H         -2.690312953        0.9903862489E-01    -1.943078359    
H         -2.340302719        -1.163518994        -2.770432603    
    63
Energy=    -106.840450447630    
O         0.1989205601        0.7822113695        -3.779858697    
H         0.8955448603        0.7360072594        -3.091486120    
H        -0.3640260174         1.520798010        -3.531861856    
O        -0.6239737577         3.078932349         2.383907779    
H         -1.471394570         2.816610205         1.983500587    
H        -0.1869325332         2.231290819         2.610143614    
O         0.2082645120         3.121946317        -1.791377394    
H         0.9654344061         2.541594949        -1.934163732    
H         0.4170127102         3.603287619       -0.9689125219    
O         0.9861052237         4.081141617        0.6246788787    
H         0.3570079832         3.705195615         1.313068237    
H          1.151196230         4.987102174        0.8837765742    
O         -3.177318144       -0.3632780755         2.062280977    
H         -2.467400929       -0.6997632634         2.651790537    
H         -3.250007167        -1.003555828         1.336256980    
O         -1.829438884         1.477885366        -1.175532081    
H         -1.185593934         2.173969297        -1.429298080    
H         -2.295032695         1.804920880       -0.3810540345    
O         -1.076510699        -1.265146405         3.491911819    
H        -0.4918369072       -0.4969145551         3.365052067    
H        -0.5693945385        -2.014967695         3.149856238    
O         0.6628401280        -3.113951268         2.276866127    
H          1.463976867        -2.630193634         1.942358357    
H         0.9807299091        -3.949807287         2.617592256    
O        -0.6656227321        -2.631562153       -0.3350150583E-02
H         -1.636699552        -2.607019859        0.6891518856E-01
H        -0.3055099570        -2.915943742        0.8582773080    
O          2.902398046        -1.755791216        -1.506711601    
H          2.104212813        -2.278689635        -1.804471388    
H          3.665658754        -2.199943595        -1.874957866    
O          1.880725628        0.7279516662        -1.649141476    
H          2.437527105       -0.6776558308E-01    -1.722318660    
H          1.185932351        0.4515498543       -0.9942140586    
O        -0.9291072018        -1.593410458        -3.798165031    
H         -1.095367073        -1.846746003        -4.706300916    
H        -0.5010108895       -0.6992013922        -3.829363707    
O         -3.324549197        -2.163770238       -0.5102298162E-01
H         -3.266371111        -1.619579913       -0.8860843130    
H         -4.096479084        -2.721404736       -0.1449065690    
O          3.278349324        0.6506513307         2.173389197    
H          4.039474435        0.8729122661         2.708515091    
H          3.255655355         1.307086550         1.423406131    
O         -2.908857787         2.071357983         1.211913356    
H         -3.761084359         2.473424093         1.378256503    
H         -2.978329311         1.135637763         1.567821536    
O          2.789405350        -1.922471161         1.274720536    
H          2.976818915        -1.031620781         1.614850986    
H          2.795408744        -1.848077663        0.3049215393    
O         0.7020517065E-03   -0.4789273080E-01    0.8242060905E-02
H        -0.7627201790        0.4341630991       -0.3819293982    
H        -0.2159855601        -1.006369800       -0.3439212767E-01
O         0.7862906688        -3.098466271        -2.241531734    
H         0.2244450555        -2.620194360        -2.875594810    
H         0.2708836774        -3.093128006        -1.414729804    
O          3.098463132         2.359080311        0.1991709510    
H          2.396975121         3.005882690        0.3983385645    
H          2.761126447         1.820281358       -0.5402370062    
O         0.5694997228        0.6831376480         2.538328285    
H          1.537730746        0.6646993293         2.596026826    
H         0.3624014302        0.4180296512         1.616439400    
O         -3.043848092       -0.7578238141        -2.234006671    
H         -2.689868494        0.9958836853E-01    -1.943167123    
H         -2.340335800        -1.163119083        -2.770923098    
    63
Energy=    -106.840489528030    
O         0.2246954065        0.7871369899        -3.785063411    
H         0.9162204356        0.7311610303        -3.091863413    
H        -0.3221202950         1.539997545        -3.544571853    
O        -0.6208241699         3.081113325         2.385146102    
H         -1.471882720         2.823693303         1.990943959    
H        -0.1844387774         2.231613541         2.608389908    
O         0.1930794285         3.104722847        -1.798198533    
H         0.9524479137         2.523989758        -1.930181094    
H         0.3987632981         3.592377498       -0.9786013529    
O         0.9829497538         4.074636373        0.6069437902    
H         0.3565796799         3.700431146         1.298074773    
H          1.152142957         4.980642312        0.8641183366    
O         -3.179087694       -0.3626687408         2.062680150    
H         -2.466936189       -0.6980010730         2.650005477    
H         -3.247074852        -1.001691345         1.335329949    
O         -1.843475848         1.466853650        -1.165522207    
H         -1.208677788         2.166755324        -1.430328802    
H         -2.304665900         1.794794468       -0.3684233135    
O         -1.076162222        -1.264877905         3.490551565    
H        -0.4936944350       -0.4956854579         3.356586761    
H        -0.5706437440        -2.015706905         3.148822120    
O         0.6631210474        -3.114137415         2.278076089    
H          1.463500699        -2.630210442         1.942772329    
H         0.9833175241        -3.948593118         2.620338006    
O        -0.6634577012        -2.631688637       -0.6463881945E-02
H         -1.634503027        -2.603316549        0.6734412634E-01
H        -0.3026696469        -2.912689067        0.8556633061    
O          2.908455245        -1.761574759        -1.511974453    
H          2.108104503        -2.284009231        -1.805274582    
H          3.668829999        -2.205536753        -1.886386819    
O          1.894011946        0.7275215461        -1.646100408    
H          2.450865201       -0.6847469963E-01    -1.717272291    
H          1.198180624        0.4503250131       -0.9929685533    
O        -0.9288515752        -1.578445311        -3.791242020    
H         -1.097850969        -1.827971586        -4.700017560    
H        -0.4995340329       -0.6849470537        -3.819333843    
O         -3.322353860        -2.168352896       -0.4702214853E-01
H         -3.273273993        -1.623806641       -0.8821279693    
H         -4.094872845        -2.726664521       -0.1343806396    
O          3.277424794        0.6505831315         2.182643653    
H          4.038505831        0.8705411599         2.718316521    
H          3.261032642         1.307274485         1.432966470    
O         -2.914367622         2.078704450         1.221460511    
H         -3.768331796         2.478125039         1.387692225    
H         -2.979494969         1.142888049         1.576637674    
O          2.789284952        -1.920044140         1.277267119    
H          2.974151756        -1.028491103         1.617429265    
H          2.800010303        -1.848756878        0.3075766655    
O         0.3107939857E-02   -0.4860124408E-01   -0.5037827914E-03
H        -0.7622891610        0.4333707684       -0.3903262072    
H        -0.2124939142        -1.006656090       -0.4055896914E-01
O         0.7821996676        -3.090581235        -2.245768253    
H         0.2191752084        -2.605562840        -2.873104099    
H         0.2683702920        -3.092374215        -1.417539483    
O          3.102478345         2.360895767        0.2081818875    
H          2.394976804         3.003043430        0.3997624390    
H          2.774451350         1.817912843       -0.5328023079    
O         0.5669388634        0.6856715198         2.529329368    
H          1.534560507        0.6623809115         2.592229033    
H         0.3621314947        0.4148206343         1.608587933    
O         -3.058884837       -0.7613543738        -2.232917864    
H         -2.711600130        0.9691628080E-01    -1.937713184    
H         -2.353040593        -1.158664311        -2.773804732    
    63
Energy=    -106.840511096050    
O         0.2426178622        0.7835822349        -3.791111785    
H         0.9291616525        0.7345703204        -3.092994219    
H        -0.3018628621         1.542147047        -3.565044321    
O        -0.6191600214         3.085787829         2.382833123    
H         -1.473669535         2.825986281         1.995897302    
H        -0.1819817776         2.237006650         2.604510890    
O         0.1900265429         3.088893156        -1.801356017    
H         0.9511905735         2.507781513        -1.914278955    
H         0.3833712536         3.585667944       -0.9848671332    
O         0.9810212927         4.071720095        0.5994532431    
H         0.3576667045         3.697375950         1.293115678    
H          1.150198221         4.978287350        0.8542375747    
O         -3.176877984       -0.3610471904         2.061017933    
H         -2.466972999       -0.6957398443         2.651499291    
H         -3.247498828        -1.002588752         1.335741351    
O         -1.852024237         1.458541100        -1.159892838    
H         -1.218895481         2.157065818        -1.430760023    
H         -2.308244694         1.787424681       -0.3612285314    
O         -1.076992213        -1.263097498         3.486934686    
H        -0.4946087327       -0.4947122601         3.349881400    
H        -0.5710441793        -2.015703881         3.149512477    
O         0.6639423275        -3.114048430         2.277859941    
H          1.463573737        -2.629092444         1.942166751    
H         0.9850964155        -3.947394931         2.621729135    
O        -0.6620091328        -2.629876686       -0.7436442771E-02
H         -1.632909306        -2.601039991        0.6628646311E-01
H        -0.2993952393        -2.910215041        0.8540133722    
O          2.913302515        -1.764261817        -1.515625578    
H          2.111669918        -2.283525390        -1.810413466    
H          3.672243879        -2.209279327        -1.892217979    
O          1.902069667        0.7294327457        -1.640732893    
H          2.455904975       -0.6829847922E-01    -1.717655900    
H          1.200768112        0.4529449804       -0.9921922094    
O        -0.9339038723        -1.567801724        -3.787374906    
H         -1.100113696        -1.815478148        -4.697175162    
H        -0.4948442645       -0.6791032099        -3.814487301    
O         -3.322026907        -2.170199274       -0.4446694407E-01
H         -3.276857930        -1.625544540       -0.8798893723    
H         -4.093499798        -2.730915499       -0.1256424917    
O          3.278630138        0.6504655447         2.186578203    
H          4.036810184        0.8688561833         2.726949950    
H          3.262815976         1.308485079         1.437459370    
O         -2.917353465         2.083839532         1.228088794    
H         -3.771793524         2.482514983         1.394224030    
H         -2.980145918         1.147098284         1.581671838    
O          2.788948883        -1.918671264         1.277886475    
H          2.971231681        -1.026702899         1.618763323    
H          2.804898396        -1.848199215        0.3084066721    
O         0.4049872318E-02   -0.4944789256E-01   -0.5054192563E-02
H        -0.7627111474        0.4296607699       -0.3939894243    
H        -0.2124367802        -1.007999567       -0.4448785610E-01
O         0.7806874162        -3.083492316        -2.247176445    
H         0.2164159863        -2.594989424        -2.871429345    
H         0.2661140515        -3.092836445        -1.420028502    
O          3.103612789         2.359467423        0.2141218758    
H          2.393297251         3.000526930        0.4000782997    
H          2.782161687         1.816523108       -0.5289560039    
O         0.5655406769        0.6834809077         2.525449544    
H          1.533512502        0.6620488846         2.589531970    
H         0.3586701435        0.4119404069         1.605029676    
O         -3.068879785       -0.7627431493        -2.231813692    
H         -2.725846903        0.9599244382E-01    -1.932275405    
H         -2.360150966        -1.150312046        -2.775365814    
    63
Energy=    -106.840520084860    
O         0.2476776683        0.7825000131        -3.792087261    
H         0.9333080133        0.7353036945        -3.093099024    
H        -0.2972194441         1.542872481        -3.570684818    
O        -0.6188868831         3.087043033         2.381390314    
H         -1.473845970         2.826401651         1.997033250    
H        -0.1811850688         2.238341357         2.603120831    
O         0.1883766049         3.085413602        -1.801932477    
H         0.9503153406         2.504483232        -1.910894314    
H         0.3791798534         3.584221133       -0.9862521161    
O         0.9800632186         4.070722674        0.5970843906    
H         0.3577521713         3.697199499         1.292243445    
H          1.149220802         4.977208435        0.8517484646    
O         -3.176357311       -0.3600764768         2.060585221    
H         -2.467239570       -0.6954680921         2.651792356    
H         -3.247600728        -1.002859024         1.336413789    
O         -1.854289377         1.456594321        -1.158711269    
H         -1.220969493         2.154424540        -1.431199296    
H         -2.309177654         1.786006965       -0.3591863263    
O         -1.077216425        -1.262608864         3.486013742    
H        -0.4945085110       -0.4944892676         3.348160940    
H        -0.5711414372        -2.015458339         3.149758799    
O         0.6641112301        -3.113883195         2.277583321    
H          1.463688377        -2.628812115         1.942121453    
H         0.9853910062        -3.947137206         2.622014699    
O        -0.6617431599        -2.629218780       -0.7574066974E-02
H         -1.632403822        -2.600757323        0.6640565517E-01
H        -0.2989044072        -2.909844314        0.8539526415    
O          2.914843719        -1.765281823        -1.516135447    
H          2.112499051        -2.282798820        -1.811796011    
H          3.673287712        -2.210882872        -1.893199466    
O          1.903746424        0.7297766082        -1.639428060    
H          2.456544202       -0.6873812995E-01    -1.717321170    
H          1.201917814        0.4526860430       -0.9919008380    
O        -0.9358808387        -1.564264747        -3.786177605    
H         -1.100462280        -1.811942803        -4.696509899    
H        -0.4929048841       -0.6774124703        -3.813497935    
O         -3.321783739        -2.170233696       -0.4344171152E-01
H         -3.277873657        -1.626667875       -0.8795264213    
H         -4.092998371        -2.731865146       -0.1237467942    
O          3.278951981        0.6501300050         2.187327222    
H          4.036107678        0.8684670510         2.729183388    
H          3.263031411         1.308812126         1.438725700    
O         -2.917516361         2.084963061         1.229784717    
H         -3.772237941         2.482911691         1.396267025    
H         -2.981305255         1.148206955         1.582933989    
O          2.789017109        -1.918370543         1.278062070    
H          2.970589783        -1.026670262         1.618890765    
H          2.806293934        -1.848081832        0.3083253592    
O         0.4227255796E-02   -0.4924511896E-01   -0.6178540164E-02
H        -0.7625978842        0.4283736748       -0.3947368950    
H        -0.2123208200        -1.008750107       -0.4560384347E-01
O         0.7802451278        -3.082104463        -2.247853716    
H         0.2160327006        -2.592180061        -2.871094903    
H         0.2657701376        -3.092618464        -1.420668585    
O          3.104285910         2.359021210        0.2154466126    
H          2.393006655         2.999796014        0.3998941654    
H          2.783900069         1.816010108       -0.5282702464    
O         0.5648183031        0.6828928487         2.525061611    
H          1.532752157        0.6618444524         2.587935422    
H         0.3585421540        0.4115203151         1.604462708    
O         -3.071397107       -0.7627129832        -2.231633968    
H         -2.729191642        0.9612021962E-01    -1.930595424    
H         -2.361824432        -1.148076198        -2.775276135    
    63
Energy=    -106.840528099300    
O         0.2531813879        0.7819721644        -3.793261915    
H         0.9374095581        0.7359692350        -3.092788768    
H        -0.2924200391         1.543038644        -3.576555052    
O        -0.6180817213         3.087862267         2.380017224    
H         -1.474399707         2.826807426         1.997631052    
H        -0.1803197882         2.239665994         2.601698482    
O         0.1860313073         3.081803696        -1.802093382    
H         0.9491496909         2.501565985        -1.907849920    
H         0.3746973296         3.583267819       -0.9874199578    
O         0.9790351455         4.069532138        0.5947219618    
H         0.3574073298         3.697283369         1.291158005    
H          1.148105576         4.976081464        0.8490516153    
O         -3.176010368       -0.3590735218         2.060400929    
H         -2.467640573       -0.6952522101         2.651902430    
H         -3.247653933        -1.002989812         1.337402173    
O         -1.856770118         1.455176119        -1.157851297    
H         -1.222726744         2.151890907        -1.431675501    
H         -2.309687764         1.784660216       -0.3573453597    
O         -1.077365953        -1.262048049         3.485231610    
H        -0.4943278943       -0.4942560626         3.346440060    
H        -0.5712332897        -2.015172721         3.149973137    
O         0.6642521340        -3.113817132         2.277348101    
H          1.463892282        -2.628576486         1.942076260    
H         0.9855652980        -3.946715531         2.622137353    
O        -0.6611706412        -2.628723827       -0.7508740353E-02
H         -1.632163017        -2.600545313        0.6678488602E-01
H        -0.2986526448        -2.909452501        0.8538605640    
O          2.916595600        -1.766404195        -1.516595871    
H          2.113361060        -2.282000647        -1.813116613    
H          3.674400590        -2.212940124        -1.893765159    
O          1.905176447        0.7297767025        -1.638473915    
H          2.456754094       -0.6903472096E-01    -1.716685632    
H          1.203127355        0.4519149929       -0.9912433666    
O        -0.9377816332        -1.560696909        -3.785299679    
H         -1.100807369        -1.808159549        -4.695646724    
H        -0.4906504281       -0.6756865518        -3.812349818    
O         -3.321749119        -2.170416210       -0.4227582405E-01
H         -3.278925166        -1.627982582       -0.8792988984    
H         -4.092111424        -2.732489329       -0.1220303188    
O          3.278870632        0.6495108144         2.187929067    
H          4.035262703        0.8682605260         2.731315124    
H          3.263393214         1.308955752         1.440142946    
O         -2.917712830         2.086037050         1.231622868    
H         -3.772319982         2.483117610         1.398468678    
H         -2.982731332         1.149101776         1.583965805    
O          2.789139129        -1.918486363         1.277681531    
H          2.970111846        -1.026426106         1.619082470    
H          2.807774057        -1.848051299        0.3084208246    
O         0.4754031271E-02   -0.5021590149E-01   -0.6885442107E-02
H        -0.7628087520        0.4275627025       -0.3955885968    
H        -0.2117405780        -1.009082848       -0.4661779144E-01
O         0.7797113416        -3.080694212        -2.248760908    
H         0.2156279465        -2.589214784        -2.870833394    
H         0.2656415281        -3.092198521        -1.421337621    
O          3.104843650         2.358615459        0.2163399284    
H          2.392847981         2.998998882        0.3995610877    
H          2.785661104         1.815412044       -0.5274728421    
O         0.5639331437        0.6825119525         2.524696712    
H          1.531934904        0.6615850818         2.586006379    
H         0.3585823453        0.4112342561         1.603964759    
O         -3.073806697       -0.7622839998        -2.231202147    
H         -2.732494753        0.9649677960E-01    -1.928586170    
H         -2.363456380        -1.145824204        -2.775107919    
    63
Energy=    -106.840536529790    
O         0.2565096817        0.7824759303        -3.794098539    
H         0.9401892012        0.7358285051        -3.092718490    
H        -0.2882072807         1.544399987        -3.578689198    
O        -0.6177364131         3.088050049         2.379018161    
H         -1.474453693         2.827327629         1.997888386    
H        -0.1794727100         2.240027014         2.600881706    
O         0.1836165090         3.080017962        -1.801841412    
H         0.9472875767         2.500477550        -1.907525977    
H         0.3726065685         3.581962154       -0.9877879529    
O         0.9783981443         4.068714362        0.5932855938    
H         0.3563133619         3.697505709         1.289868753    
H          1.147558531         4.975416806        0.8473765785    
O         -3.176182856       -0.3585574958         2.060686697    
H         -2.467862050       -0.6951454856         2.651839819    
H         -3.247658256        -1.002700186         1.338019991    
O         -1.858542201         1.454741485        -1.157698982    
H         -1.223834645         2.150519263        -1.432206125    
H         -2.309779742         1.784479632       -0.3562310286    
O         -1.077411745        -1.261650564         3.485100723    
H        -0.4941394328       -0.4941681591         3.345566898    
H        -0.5712374502        -2.015224254         3.149877450    
O         0.6642840785        -3.113639505         2.277263924    
H          1.463990251        -2.628537339         1.942136032    
H         0.9855726701        -3.946483076         2.622149854    
O        -0.6611697232        -2.628726939       -0.7492943119E-02
H         -1.631898124        -2.600459758        0.6722663371E-01
H        -0.2987043356        -2.909472169        0.8541399528    
O          2.917606112        -1.766975788        -1.516793954    
H          2.113654939        -2.281435493        -1.813552425    
H          3.674732625        -2.214289752        -1.893878801    
O          1.905716812        0.7291563017        -1.638334445    
H          2.457194921       -0.6958913334E-01    -1.715957559    
H          1.204126716        0.4508406989       -0.9908094848    
O        -0.9384682284        -1.558621197        -3.784691292    
H         -1.101089109        -1.806128824        -4.695054705    
H        -0.4899536475       -0.6745336860        -3.811322380    
O         -3.321671719        -2.170535977       -0.4169567822E-01
H         -3.279545164        -1.629080453       -0.8794745544    
H         -4.091571920        -2.732877478       -0.1210933768    
O          3.278588062        0.6489949827         2.188438440    
H          4.034563514        0.8681685826         2.732291755    
H          3.263679022         1.309036043         1.441358058    
O         -2.917764726         2.086556373         1.233122581    
H         -3.772551269         2.483218626         1.399836603    
H         -2.983583020         1.149359809         1.584470032    
O          2.789388963        -1.918412351         1.277813390    
H          2.970033036        -1.026738125         1.619042492    
H          2.808491309        -1.848109422        0.3080415637    
O         0.5035214559E-02   -0.5065205898E-01   -0.7424514565E-02
H        -0.7626683136        0.4271851153       -0.3960722601    
H        -0.2109409315        -1.009494125       -0.4712177407E-01
O         0.7794070355        -3.079943599        -2.249563822    
H         0.2154554971        -2.587617191        -2.870955386    
H         0.2658492875        -3.091596414        -1.421794756    
O          3.105317601         2.358809163        0.2169422755    
H          2.392793696         2.998868522        0.3991274107    
H          2.786787456         1.814860044       -0.5270539205    
O         0.5635848914        0.6826070182         2.524344116    
H          1.531528078        0.6613057102         2.584953511    
H         0.3586309179        0.4112948651         1.603621240    
O         -3.075102898       -0.7618976121        -2.230839867    
H         -2.734325913        0.9680366343E-01    -1.927564709    
H         -2.364453659        -1.144958346        -2.774880823    
    63
Energy=    -106.840540980130    
O         0.2619266007        0.7831291441        -3.796149756    
H         0.9449351592        0.7348349507        -3.094115448    
H        -0.2789312881         1.548348264        -3.582603587    
O        -0.6168410350         3.088390711         2.377971270    
H         -1.474377841         2.828803381         1.998563506    
H        -0.1781895637         2.240343219         2.599840126    
O         0.1804367711         3.075254975        -1.800966805    
H         0.9441297383         2.495197265        -1.905246119    
H         0.3702107645         3.578876763       -0.9882851090    
O         0.9770537149         4.067873507        0.5908556369    
H         0.3540390242         3.697973226         1.287501674    
H          1.147223248         4.974590628        0.8446988783    
O         -3.176655480       -0.3576631769         2.061190926    
H         -2.467953079       -0.6947105511         2.651694333    
H         -3.247586685        -1.001632774         1.338413545    
O         -1.862084765         1.453544620        -1.157205498    
H         -1.225992934         2.147752099        -1.433208414    
H         -2.310246418         1.784748295       -0.3541750521    
O         -1.077188163        -1.261424850         3.484893941    
H        -0.4938818247       -0.4940539792         3.344223648    
H        -0.5715006938        -2.015181153         3.149615446    
O         0.6643747629        -3.113337706         2.277185716    
H          1.464207803        -2.628316799         1.942165161    
H         0.9857060373        -3.945940671         2.622194881    
O        -0.6607636003        -2.629073861       -0.7268910285E-02
H         -1.631782070        -2.600295976        0.6789375005E-01
H        -0.2989601672        -2.909689846        0.8544894675    
O          2.918820433        -1.767068740        -1.517260195    
H          2.113977567        -2.279987863        -1.814161806    
H          3.675019274        -2.215413040        -1.894948596    
O          1.906306930        0.7282471334        -1.638082605    
H          2.458743415       -0.7023382678E-01    -1.714937485    
H          1.205714437        0.4491000017       -0.9903318411    
O        -0.9399384572        -1.555788123        -3.783619673    
H         -1.102103486        -1.803360377        -4.693752766    
H        -0.4895680651       -0.6724091967        -3.809792028    
O         -3.321557419        -2.170819706       -0.4090819945E-01
H         -3.280564433        -1.631043650       -0.8799500843    
H         -4.090751789        -2.733802930       -0.1191070695    
O          3.278000594        0.6482775154         2.189869452    
H          4.033457525        0.8679032752         2.734239366    
H          3.264062316         1.309355092         1.444013987    
O         -2.918225192         2.087747955         1.235987942    
H         -3.773153486         2.483818713         1.401934628    
H         -2.984627477         1.149839851         1.585413656    
O          2.789609573        -1.918394403         1.276973348    
H          2.970224603        -1.026588434         1.619048998    
H          2.809365689        -1.847786699        0.3077103054    
O         0.5597480268E-02   -0.5096645318E-01   -0.8688618077E-02
H        -0.7624380646        0.4264507649       -0.3969234308    
H        -0.2091687607        -1.010395682       -0.4815910487E-01
O         0.7790938001        -3.078542981        -2.251159577    
H         0.2149787322        -2.585062874        -2.871427798    
H         0.2666018106        -3.090248029        -1.422634490    
O          3.106070980         2.359561887        0.2184413146    
H          2.392814915         2.999092689        0.3987988931    
H          2.788998202         1.814321397       -0.5257350836    
O         0.5631490077        0.6829236385         2.523187446    
H          1.531010893        0.6608498260         2.583744200    
H         0.3584768137        0.4116796108         1.602492342    
O         -3.078051809       -0.7615381994        -2.230262957    
H         -2.737898146        0.9691836592E-01    -1.926233319    
H         -2.366845319        -1.144218611        -2.774436878    
    63
Energy=    -106.840552567170    
O         0.2663981855        0.7830390365        -3.798447438    
H         0.9485659087        0.7343632289        -3.095759653    
H        -0.2713030526         1.550739670        -3.586777919    
O        -0.6160018882         3.088688001         2.377243585    
H         -1.474345090         2.829776934         1.998676668    
H        -0.1772275291         2.240656262         2.598788158    
O         0.1784440366         3.071188946        -1.799610402    
H         0.9418466419         2.490161903        -1.902534505    
H         0.3683548097         3.576357888       -0.9876297653    
O         0.9755950207         4.067781660        0.5891277017    
H         0.3517440738         3.698344728         1.285500743    
H          1.146930477         4.974413716        0.8427738001    
O         -3.177215443       -0.3572504678         2.061954629    
H         -2.467934338       -0.6939842058         2.651830329    
H         -3.247881816        -1.000578731         1.338587646    
O         -1.864584841         1.452501667        -1.156539770    
H         -1.227170522         2.144902727        -1.434293817    
H         -2.310196875         1.785666830       -0.3529874164    
O         -1.076897783        -1.260917512         3.484856020    
H        -0.4937456513       -0.4940125923         3.343247426    
H        -0.5716339981        -2.015341043         3.149299884    
O         0.6645497385        -3.112821596         2.277077382    
H          1.464454156        -2.628092938         1.942041186    
H         0.9857625837        -3.945555140         2.622088462    
O        -0.6608447575        -2.629521122       -0.6974811057E-02
H         -1.631596876        -2.600168259        0.6857115154E-01
H        -0.2991083438        -2.910088304        0.8551511637    
O          2.919966674        -1.766743296        -1.517812041    
H          2.114270519        -2.278325666        -1.814802009    
H          3.675090523        -2.216366169        -1.895157982    
O          1.906368296        0.7271081084        -1.637734253    
H          2.459719172       -0.7063493761E-01    -1.714423326    
H          1.206110384        0.4475198066       -0.9895502373    
O        -0.9410383337        -1.553442764        -3.782527060    
H         -1.103255090        -1.801283314        -4.693017517    
H        -0.4889869201       -0.6709591167        -3.808878976    
O         -3.321452824        -2.170923459       -0.4046975580E-01
H         -3.281050050        -1.632451351       -0.8804910351    
H         -4.090186482        -2.734791207       -0.1173770044    
O          3.277424059        0.6476693141         2.190933232    
H          4.032151064        0.8676758519         2.735962513    
H          3.264096455         1.309608389         1.445894916    
O         -2.918440957         2.088339486         1.238256101    
H         -3.773568528         2.484781503         1.403744796    
H         -2.985147444         1.149819663         1.585980323    
O          2.789935971        -1.918138953         1.276571907    
H          2.970520926        -1.027064872         1.618704504    
H          2.810159483        -1.847428958        0.3066629777    
O         0.6088111467E-02   -0.5172370165E-01   -0.9377514046E-02
H        -0.7626987463        0.4256818253       -0.3974812531    
H        -0.2075437585        -1.011022570       -0.4881674211E-01
O         0.7790263691        -3.077047061        -2.252611743    
H         0.2145020590        -2.582974833        -2.872073655    
H         0.2675937908        -3.088812343        -1.423527991    
O          3.106476513         2.360080876        0.2193166648    
H          2.392906481         2.999384804        0.3983751443    
H          2.790663184         1.813945291       -0.5245130752    
O         0.5631329425        0.6833846110         2.522099707    
H          1.530970763        0.6605553579         2.583088623    
H         0.3576769870        0.4120838851         1.601521601    
O         -3.080453076       -0.7610971622        -2.229562926    
H         -2.740617862        0.9732019410E-01    -1.924911002    
H         -2.368856383        -1.143220917        -2.773746868    
    63
Energy=    -106.840591725780    
O         0.3009020541        0.7802688757        -3.819096859    
H         0.9733788596        0.7333704017        -3.106667379    
H        -0.2313037511         1.556025819        -3.623787954    
O        -0.6158808387         3.091022613         2.375109869    
H         -1.473668432         2.830705991         1.995553629    
H        -0.1753132257         2.242344809         2.591240792    
O         0.1734296579         3.050307678        -1.794881214    
H         0.9327616937         2.462014473        -1.880014850    
H         0.3579632818         3.563485252       -0.9867577806    
O         0.9676680765         4.071082853        0.5808303073    
H         0.3451255442         3.702714860         1.279343900    
H          1.140250123         4.978211407        0.8312127202    
O         -3.183982851       -0.3563937688         2.067953585    
H         -2.470219726       -0.6908679746         2.653818567    
H         -3.251079633       -0.9952404660         1.340197998    
O         -1.871366929         1.442541347        -1.145927328    
H         -1.229771500         2.125961674        -1.436659344    
H         -2.312843954         1.791485482       -0.3474375622    
O         -1.075522999        -1.257909900         3.483488900    
H        -0.4911250833       -0.4919464643         3.341394582    
H        -0.5719661353        -2.013185686         3.148167027    
O         0.6672742384        -3.108902438         2.278861550    
H          1.467033647        -2.627476151         1.939130639    
H         0.9861825983        -3.944132045         2.620135109    
O        -0.6599640639        -2.636403712       -0.5719885269E-02
H         -1.630783318        -2.599858082        0.7113467461E-01
H        -0.2993771539        -2.913248971        0.8577421849    
O          2.925708592        -1.765276652        -1.519787956    
H          2.116576531        -2.269252913        -1.820806245    
H          3.678603350        -2.224971725        -1.889686106    
O          1.909354782        0.7216453246        -1.631418599    
H          2.464020642       -0.7526960385E-01    -1.710982828    
H          1.204674689        0.4381052337       -0.9892780418    
O        -0.9451416194        -1.537148785        -3.777739794    
H         -1.113352715        -1.787622998        -4.686552762    
H        -0.4830848569       -0.6604152619        -3.810438161    
O         -3.318259168        -2.172196491       -0.3774064827E-01
H         -3.285080726        -1.633381770       -0.8779534279    
H         -4.085433894        -2.739484168       -0.1095820515    
O          3.272755118        0.6455939849         2.194110385    
H          4.019987654        0.8676205917         2.748371035    
H          3.262137139         1.309619114         1.451033525    
O         -2.919272652         2.089313677         1.244339832    
H         -3.770696219         2.490534643         1.417839883    
H         -2.986803008         1.151077775         1.593305867    
O          2.793846492        -1.920294599         1.269077016    
H          2.976969711        -1.030436063         1.613764706    
H          2.814408141        -1.846874549        0.2996082301    
O         0.3627737689E-02   -0.5738755768E-01   -0.1001515855E-01
H        -0.7696106806        0.4158582606       -0.3939712198    
H        -0.2053965616        -1.017996200       -0.4855210629E-01
O         0.7816294290        -3.059134213        -2.259510985    
H         0.2105393442        -2.570194430        -2.877290884    
H         0.2728437268        -3.078211760        -1.429085894    
O          3.106519491         2.360668088        0.2230813144    
H          2.392716219         3.001436654        0.3960826181    
H          2.793988063         1.812119221       -0.5201407000    
O         0.5616064485        0.6875968180         2.515783409    
H          1.529500458        0.6591893810         2.578544976    
H         0.3552590899        0.4162105020         1.595261988    
O         -3.096193170       -0.7590857474        -2.224646255    
H         -2.759439856        0.9817144639E-01    -1.912540624    
H         -2.380796797        -1.135345505        -2.767340736    
    63
Energy=    -106.840607489170    
O         0.3265573440        0.7806232655        -3.834432606    
H         0.9911372143        0.7267072538        -3.115315563    
H        -0.1989621577         1.562591340        -3.644210243    
O        -0.6179121850         3.091402737         2.369342880    
H         -1.475121208         2.827450682         1.990833309    
H        -0.1769610680         2.243679836         2.590040925    
O         0.1686457282         3.049427424        -1.796987327    
H         0.9244276503         2.455282837        -1.882478038    
H         0.3540403721         3.559061217       -0.9860032772    
O         0.9665420592         4.074838340        0.5770073180    
H         0.3463089049         3.705914591         1.276982260    
H          1.130141914         4.985353272        0.8209825832    
O         -3.188686155       -0.3574872999         2.073004157    
H         -2.475987026       -0.6916755031         2.659861872    
H         -3.256244339       -0.9955710737         1.344625980    
O         -1.871230093         1.437850654        -1.143070223    
H         -1.230286587         2.122630190        -1.432741598    
H         -2.314793963         1.785785641       -0.3455962961    
O         -1.075258804        -1.253932615         3.482800655    
H        -0.4907130851       -0.4867893711         3.342934349    
H        -0.5698229525        -2.008168909         3.148242745    
O         0.6708892916        -3.106599301         2.278754925    
H          1.471697494        -2.627802398         1.937770656    
H         0.9876338227        -3.944152456         2.617845804    
O        -0.6591835187        -2.644698968       -0.6101875278E-02
H         -1.629445267        -2.604753491        0.6896408894E-01
H        -0.2976404127        -2.918234706        0.8581116410    
O          2.931563144        -1.769019919        -1.518512819    
H          2.121265040        -2.268244906        -1.823374286    
H          3.684986023        -2.237594631        -1.876910405    
O          1.907033239        0.7155038249        -1.628723071    
H          2.467727863       -0.7685538834E-01    -1.704622778    
H          1.202375233        0.4293776100       -0.9884807846    
O        -0.9470891371        -1.520739538        -3.774516765    
H         -1.122049444        -1.776890048        -4.680264104    
H        -0.4743469054       -0.6497260807        -3.817505186    
O         -3.317383679        -2.170263763       -0.3244813354E-01
H         -3.286284340        -1.627397866       -0.8703395546    
H         -4.080343492        -2.742187806       -0.1077707215    
O          3.270369305        0.6426318526         2.190085988    
H          4.007116458        0.8723904146         2.755207243    
H          3.259846694         1.307123637         1.447240134    
O         -2.920056536         2.088072330         1.248094367    
H         -3.766855140         2.494520461         1.431539891    
H         -2.988384566         1.150049721         1.597857792    
O          2.799489285        -1.927118046         1.264276868    
H          2.983221893        -1.036590885         1.608023504    
H          2.815793907        -1.852230402        0.2944099012    
O        -0.2536435677E-03   -0.6705149158E-01   -0.7908147403E-02
H        -0.7750257761        0.4082174899       -0.3866093225    
H        -0.2137555910        -1.027321205       -0.4217616685E-01
O         0.7797678159        -3.049186215        -2.263541099    
H         0.2098584220        -2.554845767        -2.878493696    
H         0.2715759440        -3.068050161        -1.432564674    
O          3.101389519         2.360313434        0.2216496795    
H          2.389536698         3.003496687        0.3939087843    
H          2.787062728         1.810799104       -0.5196883641    
O         0.5599017958        0.6894623927         2.512675863    
H          1.528614230        0.6606811900         2.576491425    
H         0.3539969910        0.4164451698         1.592691520    
O         -3.102212508       -0.7576913854        -2.219383949    
H         -2.767189715        0.1000561459        -1.904932160    
H         -2.384523627        -1.128111547        -2.763046395    
    63
Energy=    -106.840633605580    
O         0.3474748281        0.7829170935        -3.849348445    
H          1.007038311        0.7218793628        -3.126651364    
H        -0.1662745504         1.573569887        -3.663685248    
O        -0.6179861920         3.094945683         2.368260102    
H         -1.474505312         2.831044006         1.988772727    
H        -0.1758167287         2.247718097         2.587587730    
O         0.1724413784         3.042074583        -1.799367615    
H         0.9238112128         2.441671497        -1.877937837    
H         0.3617600556         3.559347450       -0.9944740046    
O         0.9644283598         4.078803323        0.5746160090    
H         0.3458456252         3.708796835         1.275506964    
H          1.119286136         4.992129192        0.8138596586    
O         -3.192779219       -0.3580444093         2.080093866    
H         -2.477223820       -0.6899654577         2.664630474    
H         -3.259924294       -0.9971640546         1.352131881    
O         -1.874364439         1.434726122        -1.137480403    
H         -1.236051815         2.119539971        -1.430765558    
H         -2.317524413         1.782988951       -0.3398823996    
O         -1.074540976        -1.252160441         3.485284634    
H        -0.4955583901       -0.4822325667         3.340641370    
H        -0.5666919523        -2.004090552         3.148547425    
O         0.6731998183        -3.105932723         2.276406511    
H          1.474590546        -2.627786025         1.934809780    
H         0.9902390760        -3.941919197         2.617080097    
O        -0.6623127304        -2.654118056       -0.6813862314E-02
H         -1.632634513        -2.614962636        0.7360604580E-01
H        -0.2973900547        -2.925763804        0.8567436580    
O          2.936249861        -1.772260212        -1.517758453    
H          2.125207889        -2.268775103        -1.825851210    
H          3.689551027        -2.245289211        -1.870114218    
O          1.902906142        0.7107457208        -1.625211894    
H          2.468179396       -0.7828201833E-01    -1.699492491    
H          1.196225990        0.4198933209       -0.9879944188    
O        -0.9506366212        -1.507040776        -3.774366779    
H         -1.131710185        -1.769146417        -4.677223940    
H        -0.4756737654       -0.6382537253        -3.824629428    
O         -3.314922399        -2.169773754       -0.2729677717E-01
H         -3.283495950        -1.627241931       -0.8653790612    
H         -4.076174371        -2.744317319       -0.1042566973    
O          3.269102216        0.6404049656         2.186352450    
H          3.997570175        0.8812434664         2.757638099    
H          3.256346932         1.305175385         1.443821540    
O         -2.923315139         2.086373086         1.251947955    
H         -3.766429256         2.496800159         1.443090619    
H         -2.993519466         1.148441959         1.601676576    
O          2.804027949        -1.932466674         1.263735200    
H          2.985727348        -1.041360891         1.606125289    
H          2.819238772        -1.859139728        0.2940091138    
O        -0.2919910553E-02   -0.7289833281E-01   -0.6311587322E-02
H        -0.7753062901        0.4027299977       -0.3890597315    
H        -0.2148736001        -1.032964307       -0.4249138293E-01
O         0.7791372785        -3.038776348        -2.266825761    
H         0.2104669645        -2.538311121        -2.877336399    
H         0.2705587325        -3.067043704        -1.436525394    
O          3.095308951         2.360799371        0.2214227923    
H          2.386058360         3.006064921        0.3963037154    
H          2.776533547         1.812630033       -0.5190832615    
O         0.5607610178        0.6905223903         2.514029049    
H          1.529282547        0.6600799753         2.572655980    
H         0.3501126489        0.4112849645         1.596822925    
O         -3.104238181       -0.7556694569        -2.216162363    
H         -2.770606665        0.1034825637        -1.904586072    
H         -2.386756788        -1.124915781        -2.760336697    
    63
Energy=    -106.840635177600    
O         0.3468436376        0.7828437399        -3.849167651    
H          1.006307690        0.7221453197        -3.126217626    
H        -0.1678574895         1.572860496        -3.663680044    
O        -0.6178233681         3.094682408         2.368453151    
H         -1.474573342         2.831051063         1.988680497    
H        -0.1758908782         2.247637874         2.587794059    
O         0.1728997847         3.042171924        -1.799246416    
H         0.9245370539         2.441864294        -1.877353201    
H         0.3619095608         3.559806156       -0.9945746723    
O         0.9645638198         4.078921189        0.5749888093    
H         0.3457047467         3.708849532         1.275628759    
H          1.119444139         4.992210712        0.8142372103    
O         -3.192816131       -0.3580888390         2.079915549    
H         -2.476998230       -0.6900503913         2.664675671    
H         -3.259813601       -0.9971052427         1.352216329    
O         -1.874211361         1.435123380        -1.137730695    
H         -1.235410491         2.119764505        -1.430842906    
H         -2.317325960         1.783081671       -0.3400056863    
O         -1.074416965        -1.252396353         3.485161965    
H        -0.4954753916       -0.4823120658         3.340841089    
H        -0.5668431406        -2.004089570         3.148661935    
O         0.6731032639        -3.105903686         2.276376109    
H          1.474442574        -2.627777625         1.934767515    
H         0.9901773855        -3.942000440         2.617173933    
O        -0.6622457514        -2.653996294       -0.6796849790E-02
H         -1.632751959        -2.614868296        0.7365860182E-01
H        -0.2973528944        -2.925726699        0.8567967724    
O          2.936154137        -1.772113783        -1.517732012    
H          2.125167127        -2.268720832        -1.825693972    
H          3.689507744        -2.245045925        -1.870235936    
O          1.902431648        0.7109093388        -1.625527213    
H          2.467864732       -0.7825132205E-01    -1.699629169    
H          1.196206532        0.4202242343       -0.9878695615    
O        -0.9505443031        -1.507615994        -3.774599517    
H         -1.131498570        -1.769368972        -4.677512858    
H        -0.4756618272       -0.6387735165        -3.824735631    
O         -3.315081995        -2.169727081       -0.2745800630E-01
H         -3.283325840        -1.627227357       -0.8655801903    
H         -4.076326797        -2.744150738       -0.1044598872    
O          3.269118250        0.6405832146         2.186320333    
H          3.997813358        0.8812156216         2.757364838    
H          3.256301992         1.305099626         1.443503849    
O         -2.923189061         2.086345970         1.251946713    
H         -3.766404542         2.496679812         1.442676775    
H         -2.993510985         1.148312206         1.601311789    
O          2.803973797        -1.932186921         1.263943878    
H          2.985600558        -1.041381293         1.606241521    
H          2.819301876        -1.859050304        0.2940234601    
O        -0.3023261216E-02   -0.7285291613E-01   -0.6157518434E-02
H        -0.7751621369        0.4029525910       -0.3889834722    
H        -0.2147909361        -1.032954090       -0.4264162781E-01
O         0.7791271688        -3.039168934        -2.266759370    
H         0.2103610987        -2.538578057        -2.877266954    
H         0.2706611732        -3.067276333        -1.436518120    
O          3.095269670         2.360867318        0.2213026090    
H          2.386085626         3.006059191        0.3964118902    
H          2.776451036         1.812476179       -0.5192046535    
O         0.5607703312        0.6906034345         2.514037485    
H          1.529264357        0.6600337711         2.572734745    
H         0.3501076977        0.4113262055         1.596954271    
O         -3.103857660       -0.7556015009        -2.216000168    
H         -2.770279570        0.1034509120        -1.904615197    
H         -2.386498024        -1.125034915        -2.760495850    
    63
Energy=    -106.840638304720    
O         0.3459964421        0.7831443573        -3.848665556    
H          1.005479747        0.7225473554        -3.125560828    
H        -0.1697156781         1.572683200        -3.663641124    
O        -0.6176738515         3.094367951         2.368537444    
H         -1.474579792         2.830909040         1.988727657    
H        -0.1758205590         2.247433425         2.587983813    
O         0.1734909050         3.042714747        -1.799362470    
H         0.9254367160         2.443193106        -1.877587271    
H         0.3624729886         3.560595992       -0.9950279016    
O         0.9644733040         4.079413620        0.5751152824    
H         0.3451624658         3.709005013         1.275262785    
H          1.119335116         4.992611906        0.8146675080    
O         -3.192929225       -0.3582140107         2.080442435    
H         -2.476850580       -0.6903214714         2.665040083    
H         -3.259702074       -0.9972566836         1.352784220    
O         -1.873548166         1.436319685        -1.138114399    
H         -1.234351407         2.120912488        -1.431009367    
H         -2.316707357         1.783479810       -0.3400555119    
O         -1.074337338        -1.252451301         3.484849454    
H        -0.4951458952       -0.4825416719         3.341678705    
H        -0.5668741214        -2.004365766         3.148848413    
O         0.6728685681        -3.105941749         2.276448758    
H          1.474085559        -2.627854061         1.934562341    
H         0.9898837336        -3.942018704         2.617509434    
O        -0.6622545007        -2.654237049       -0.6724241821E-02
H         -1.632878190        -2.614873183        0.7397650716E-01
H        -0.2971982305        -2.926098786        0.8568677548    
O          2.936266356        -1.772366039        -1.517171706    
H          2.125157509        -2.268715257        -1.825100404    
H          3.689471887        -2.245201270        -1.870227489    
O          1.901814463        0.7104104846        -1.626166667    
H          2.467276665       -0.7895105530E-01    -1.699656966    
H          1.196165764        0.4205380432       -0.9875790502    
O        -0.9502248320        -1.507953411        -3.775105827    
H         -1.131089232        -1.769188102        -4.678175296    
H        -0.4756016943       -0.6389565884        -3.825186424    
O         -3.315379075        -2.169608895       -0.2768844226E-01
H         -3.282825689        -1.627295036       -0.8659357154    
H         -4.076786145        -2.743836200       -0.1049344678    
O          3.268980857        0.6410276128         2.185945557    
H          3.998016864        0.8815900268         2.756540636    
H          3.256034975         1.304871736         1.442447220    
O         -2.923010772         2.086182096         1.252557943    
H         -3.766646391         2.496242360         1.442190030    
H         -2.993742017         1.147839966         1.600915288    
O          2.804025252        -1.932137019         1.264391578    
H          2.985604100        -1.041522184         1.606819834    
H          2.819922866        -1.859397423        0.2944480896    
O        -0.3353655424E-02   -0.7326982383E-01   -0.5918212841E-02
H        -0.7750406845        0.4030681182       -0.3888810422    
H        -0.2150701454        -1.033330617       -0.4321455451E-01
O         0.7789857820        -3.039737240        -2.266895820    
H         0.2101940391        -2.538554708        -2.877024530    
H         0.2706342987        -3.067958508        -1.436715468    
O          3.094807743         2.360958396        0.2207160635    
H          2.385881535         3.006228777        0.3964942008    
H          2.775819104         1.812072280       -0.5194505565    
O         0.5609079142        0.6909288877         2.514187552    
H          1.529190034        0.6597267598         2.572873385    
H         0.3498745983        0.4113055158         1.597272570    
O         -3.102651582       -0.7557587674        -2.215493790    
H         -2.769486338        0.1034916201        -1.904590159    
H         -2.385731828        -1.125144196        -2.760731804    
    63
Energy=    -106.840644783650    
O         0.3568888571        0.7875085351        -3.856107232    
H          1.012126126        0.7232795046        -3.129681111    
H        -0.1495233583         1.583974889        -3.676957520    
O        -0.6161798653         3.095980758         2.366602024    
H         -1.474956463         2.831198261         1.992319250    
H        -0.1741220900         2.248977646         2.586009452    
O         0.1777010227         3.039326841        -1.805458926    
H         0.9270730567         2.435499838        -1.875907596    
H         0.3640155249         3.560448458        -1.002414511    
O         0.9593000449         4.084427098        0.5680533997    
H         0.3419153470         3.712293718         1.268636755    
H          1.113252048         4.997307496        0.8094196474    
O         -3.195841892       -0.3598858628         2.086725351    
H         -2.478511409       -0.6903042286         2.670336463    
H         -3.261509067       -0.9982728973         1.358371870    
O         -1.873958970         1.438480609        -1.133791104    
H         -1.235515542         2.122347063        -1.429189790    
H         -2.314363384         1.786868848       -0.3348367103    
O         -1.072723268        -1.252775218         3.487168606    
H        -0.4931083403       -0.4830057560         3.344831824    
H        -0.5659733972        -2.004126202         3.147975493    
O         0.6721983726        -3.105968900         2.276512918    
H          1.473635857        -2.628704327         1.933986397    
H         0.9894270946        -3.940409107         2.621202972    
O        -0.6629135642        -2.661584190       -0.7587658282E-02
H         -1.632560761        -2.618498576        0.7627307949E-01
H        -0.2962526869        -2.931531273        0.8560720261    
O          2.940025370        -1.777538988        -1.513204520    
H          2.126814072        -2.269613984        -1.821816841    
H          3.690999005        -2.250421626        -1.870966493    
O          1.903413876        0.7039510177        -1.624006043    
H          2.467474519       -0.8651947929E-01    -1.696374595    
H          1.195343293        0.4151150463       -0.9880581174    
O        -0.9511096526        -1.496193439        -3.777501795    
H         -1.133420647        -1.759247847        -4.679775112    
H        -0.4732738103       -0.6290028395        -3.829266068    
O         -3.315979303        -2.169810984       -0.2429342315E-01
H         -3.281393012        -1.629092147       -0.8633714901    
H         -4.077652345        -2.743368958       -0.1037890482    
O          3.267349320        0.6413299916         2.183117253    
H          3.993674481        0.8879739589         2.754586485    
H          3.252754114         1.304597104         1.439215057    
O         -2.925154496         2.085452997         1.259568701    
H         -3.769744956         2.494565651         1.447178005    
H         -2.996463032         1.147145354         1.607703559    
O          2.806982902        -1.935120825         1.268267282    
H          2.987934078        -1.043635961         1.609643620    
H          2.827658337        -1.863518592        0.2985515230    
O        -0.6118549591E-02   -0.7950021590E-01   -0.7929314455E-02
H        -0.7775619809        0.3984084179       -0.3891660553    
H        -0.2192521524        -1.039222676       -0.4770830681E-01
O         0.7779347926        -3.033234836        -2.270726278    
H         0.2083379825        -2.528164378        -2.876741326    
H         0.2695389902        -3.070790073        -1.440788319    
O          3.089549138         2.361538138        0.2195631888    
H          2.381097279         3.007512034        0.3945863999    
H          2.769330784         1.811435590       -0.5191364932    
O         0.5595435677        0.6914572724         2.512501486    
H          1.528031151        0.6578567267         2.570789805    
H         0.3473857855        0.4099128984         1.596591373    
O         -3.101346630       -0.7572247898        -2.211751124    
H         -2.771157586        0.1031892296        -1.900770701    
H         -2.384552873        -1.122314214        -2.759778161    
    63
Energy=    -106.840646103510    
O         0.3596731833        0.7904022390        -3.857760179    
H          1.012875644        0.7238332963        -3.130022534    
H        -0.1446318757         1.589142975        -3.680133833    
O        -0.6158136856         3.095987199         2.365520435    
H         -1.475817576         2.830793610         1.994244779    
H        -0.1728193818         2.249811451         2.584982807    
O         0.1790928851         3.038399189        -1.807893495    
H         0.9282123707         2.434196221        -1.876047049    
H         0.3648049959         3.561156470        -1.006010079    
O         0.9572020899         4.086333568        0.5655793070    
H         0.3401176815         3.713669596         1.266136079    
H          1.111547338         4.999091555        0.8076777578    
O         -3.196806646       -0.3609736251         2.088294202    
H         -2.479089560       -0.6906791591         2.672663256    
H         -3.262429699       -0.9988309311         1.360516409    
O         -1.873690596         1.441233170        -1.132654819    
H         -1.234121644         2.123216822        -1.428756821    
H         -2.312340329         1.789135208       -0.3328128850    
O         -1.071104537        -1.253942918         3.490477806    
H        -0.4922615486       -0.4837786346         3.345824529    
H        -0.5662320205        -2.004603592         3.146927734    
O         0.6717909965        -3.106456537         2.276120826    
H          1.473645339        -2.628962686         1.935382653    
H         0.9887374693        -3.939855890         2.623650753    
O        -0.6632339252        -2.664262006       -0.8039716107E-02
H         -1.633011933        -2.620308896        0.7637157730E-01
H        -0.2960374329        -2.933091601        0.8556419210    
O          2.940879389        -1.779719005        -1.511409979    
H          2.126799065        -2.271072146        -1.819546438    
H          3.690765226        -2.251957776        -1.872218384    
O          1.903471495        0.7013328868        -1.623803841    
H          2.467562221       -0.8915560935E-01    -1.695093591    
H          1.194541080        0.4118374942       -0.9881910181    
O        -0.9506612919        -1.492782067        -3.778790647    
H         -1.132693168        -1.755114195        -4.681396622    
H        -0.4722189205       -0.6259957975        -3.830752940    
O         -3.316944998        -2.169837728       -0.2306513128E-01
H         -3.280575926        -1.629432008       -0.8624299119    
H         -4.078732262        -2.742873427       -0.1031640825    
O          3.267366235        0.6416342473         2.181816676    
H          3.993118214        0.8898821080         2.753354801    
H          3.250434704         1.305106452         1.438010988    
O         -2.925842052         2.084909746         1.262195243    
H         -3.771258420         2.493044986         1.447769742    
H         -2.996549359         1.146797567         1.610926632    
O          2.808382339        -1.936147378         1.271079339    
H          2.988590529        -1.044172093         1.611756662    
H          2.830535219        -1.865310431        0.3010323677    
O        -0.7522925734E-02   -0.8139403208E-01   -0.8902852728E-02
H        -0.7787321194        0.3972814443       -0.3891469477    
H        -0.2203537928        -1.041331506       -0.4871397195E-01
O         0.7775973349        -3.031462344        -2.272375389    
H         0.2078224665        -2.525420584        -2.877118703    
H         0.2689120326        -3.071769800        -1.442448085    
O          3.086592321         2.361996637        0.2181728454    
H          2.378293757         3.008303277        0.3920502230    
H          2.767598690         1.810815538       -0.5197535816    
O         0.5593050407        0.6908570521         2.511361468    
H          1.527189610        0.6575890435         2.569653162    
H         0.3466589844        0.4087543316         1.595502933    
O         -3.099616476       -0.7573726496        -2.210001849    
H         -2.769928641        0.1033642032        -1.898930225    
H         -2.382532100        -1.121084928        -2.759800828    
    63
Energy=    -106.840648812690    
O         0.3577442121        0.7910734888        -3.856919332    
H          1.011080231        0.7243242146        -3.128868698    
H        -0.1490471989         1.588123606        -3.679180186    
O        -0.6163130720         3.095778461         2.365668707    
H         -1.475955710         2.830106765         1.993899544    
H        -0.1728648950         2.249596953         2.584567864    
O         0.1801739340         3.039517424        -1.807770399    
H         0.9299445617         2.436008381        -1.876137544    
H         0.3657109606         3.563209878        -1.006547233    
O         0.9570431533         4.086983720        0.5663540969    
H         0.3399393494         3.714028271         1.266828302    
H          1.111629193         4.999598412        0.8083267077    
O         -3.195889168       -0.3607859557         2.089393080    
H         -2.479215308       -0.6921692752         2.672861459    
H         -3.262266423       -0.9997751879         1.361063577    
O         -1.871773439         1.442036336        -1.132680425    
H         -1.231522736         2.124097777        -1.428850357    
H         -2.311314309         1.790418475       -0.3332917546    
O         -1.071285786        -1.254241082         3.490687154    
H        -0.4922797262       -0.4841824311         3.346607700    
H        -0.5665370030        -2.004947787         3.147481821    
O         0.6716764607        -3.106743116         2.275948488    
H          1.474162504        -2.629159259         1.936369889    
H         0.9881112963        -3.939881023         2.624569089    
O        -0.6638464533        -2.664091960       -0.8410920359E-02
H         -1.633844308        -2.621467527        0.7601272798E-01
H        -0.2964165895        -2.933072933        0.8550719821    
O          2.940237534        -1.780335323        -1.510325869    
H          2.126679411        -2.271616573        -1.819260320    
H          3.690242046        -2.251631872        -1.872174887    
O          1.901063003        0.7005844896        -1.624279889    
H          2.467329631       -0.8849103436E-01    -1.695569898    
H          1.193047170        0.4113223842       -0.9880163945    
O        -0.9489983445        -1.493825423        -3.780026858    
H         -1.131563425        -1.755472541        -4.682700531    
H        -0.4716613790       -0.6263077137        -3.831303342    
O         -3.316684870        -2.170140936       -0.2322458910E-01
H         -3.280180956        -1.628368504       -0.8614417290    
H         -4.079536047        -2.742171941       -0.1034117730    
O          3.267019735        0.6422489407         2.181306625    
H          3.993656651        0.8899385964         2.751949909    
H          3.250001639         1.305343003         1.437303245    
O         -2.925349795         2.084168605         1.261738718    
H         -3.771062893         2.492213170         1.446449147    
H         -2.995832406         1.146101601         1.610447362    
O          2.808973036        -1.935992570         1.271989925    
H          2.988767835        -1.044249102         1.612737251    
H          2.830143118        -1.866206656        0.3019741234    
O        -0.8112938924E-02   -0.8136305008E-01   -0.8054100733E-02
H        -0.7792349542        0.3974626890       -0.3889379047    
H        -0.2208542399        -1.041094928       -0.4778575981E-01
O         0.7773502538        -3.032794099        -2.272132355    
H         0.2082000110        -2.526270358        -2.877720503    
H         0.2685080619        -3.071312767        -1.442645588    
O          3.085163514         2.362229616        0.2169599572    
H          2.377001042         3.008792233        0.3904372329    
H          2.767002139         1.810131140       -0.5212299378    
O         0.5590765692        0.6899366763         2.510892650    
H          1.527599597        0.6579975070         2.569161137    
H         0.3468150870        0.4080178408         1.595268337    
O         -3.097095504       -0.7561239757        -2.210046495    
H         -2.767228403        0.1041835620        -1.898377261    
H         -2.380813558        -1.120529711        -2.759495491    
    63
Energy=    -106.840655981870    
O         0.3662145946        0.7987523044        -3.862183952    
H          1.017230854        0.7263552472        -3.132670728    
H        -0.1350263279         1.599141075        -3.683746946    
O        -0.6136387622         3.095536733         2.363742612    
H         -1.475377022         2.832598207         1.995405804    
H        -0.1712035459         2.247569589         2.578878757    
O         0.1820619396         3.035041271        -1.813396153    
H         0.9307231750         2.429131383        -1.873300545    
H         0.3644585576         3.564076211        -1.014929406    
O         0.9497976494         4.090675606        0.5584838392    
H         0.3359876188         3.717023296         1.261523181    
H          1.107866769         5.002241250        0.8021524423    
O         -3.194608510       -0.3631913792         2.095086167    
H         -2.477759154       -0.6949970220         2.678597089    
H         -3.261027008        -1.001457135         1.366710965    
O         -1.870792503         1.443502864        -1.127206449    
H         -1.229797552         2.123286787        -1.426686810    
H         -2.308098090         1.793740230       -0.3273597054    
O         -1.070635300        -1.256175467         3.493380447    
H        -0.4933017043       -0.4856547870         3.346220548    
H        -0.5658430482        -2.006867851         3.149903763    
O         0.6707845973        -3.106946635         2.276441173    
H          1.475286679        -2.631198242         1.939144196    
H         0.9849802140        -3.937989277         2.631973163    
O        -0.6659750394        -2.669372964       -0.1030780271E-01
H         -1.635859920        -2.627629619        0.7527496477E-01
H        -0.2970171390        -2.937314061        0.8527258564    
O          2.940237069        -1.785550480        -1.506069650    
H          2.126011142        -2.274315218        -1.817169602    
H          3.689457236        -2.253602845        -1.873764940    
O          1.900451517        0.6944014857        -1.623745025    
H          2.467372541       -0.9446901969E-01    -1.692783942    
H          1.190492678        0.4043569420       -0.9901502728    
O        -0.9450892861        -1.483173634        -3.782983410    
H         -1.127662855        -1.745177890        -4.685551832    
H        -0.4673784413       -0.6158667145        -3.834741019    
O         -3.317422014        -2.170423289       -0.1930935284E-01
H         -3.279305389        -1.627452662       -0.8565393195    
H         -4.082425949        -2.739406392       -0.9992000324E-01
O          3.265241259        0.6463534295         2.179570937    
H          3.992901813        0.8930807267         2.749301872    
H          3.247045169         1.310129939         1.436407863    
O         -2.925896900         2.082473567         1.266269274    
H         -3.773676097         2.487538540         1.448125028    
H         -2.994763536         1.144268445         1.614936382    
O          2.813348666        -1.938464243         1.279967611    
H          2.991161519        -1.044649421         1.616601373    
H          2.832816565        -1.872154916        0.3098061657    
O        -0.1067535873E-01   -0.8716967383E-01   -0.9594539694E-02
H        -0.7811283923        0.3945047973       -0.3883054959    
H        -0.2264506351        -1.046237464       -0.4884227361E-01
O         0.7753455492        -3.029780500        -2.275553655    
H         0.2099780005        -2.520874491        -2.882384350    
H         0.2641440653        -3.068084108        -1.447660674    
O          3.078074288         2.363875642        0.2127347268    
H          2.368077128         3.009430891        0.3829402598    
H          2.761660200         1.807833846       -0.5231715475    
O         0.5567850046        0.6879362382         2.506748983    
H          1.525331564        0.6576884370         2.564194643    
H         0.3441914823        0.4037362265         1.591705504    
O         -3.091871804       -0.7529248455        -2.203765939    
H         -2.763029191        0.1079143647        -1.892229676    
H         -2.376269527        -1.114865724        -2.755421093    
    63
Energy=    -106.840656290130    
O         0.3666221948        0.7990764522        -3.862435068    
H          1.017511550        0.7265495822        -3.132907184    
H        -0.1343344599         1.599524790        -3.683904849    
O        -0.6135561325         3.095562297         2.363662289    
H         -1.475404986         2.832625182         1.995468325    
H        -0.1711148817         2.247515137         2.578648879    
O         0.1821175814         3.034774357        -1.813612270    
H         0.9307107933         2.428798143        -1.873129522    
H         0.3643395227         3.564058474        -1.015292549    
O         0.9495815892         4.090786899        0.5581597234    
H         0.3358358056         3.717141497         1.261255558    
H          1.107701112         5.002336562        0.8018901185    
O         -3.194526654       -0.3632513944         2.095229541    
H         -2.477711189       -0.6950449022         2.678873064    
H         -3.261027723        -1.001510819         1.366846111    
O         -1.870713049         1.443519200        -1.126957841    
H         -1.229805916         2.123291069        -1.426580417    
H         -2.307988110         1.793862524       -0.3271405410    
O         -1.070560995        -1.256273091         3.493539996    
H        -0.4932398620       -0.4857180337         3.346219882    
H        -0.5658028046        -2.006926054         3.149967828    
O         0.6707128040        -3.106985696         2.276389619    
H          1.475319637        -2.631227856         1.939296812    
H         0.9848578867        -3.937899298         2.632271989    
O        -0.6660610135        -2.669617326       -0.1035654667E-01
H         -1.635933425        -2.627834374        0.7532189859E-01
H        -0.2970781175        -2.937499680        0.8526801862    
O          2.940262904        -1.785770266        -1.505841491    
H          2.125939478        -2.274370092        -1.817061107    
H          3.689443721        -2.253655408        -1.873812695    
O          1.900419429        0.6941471423        -1.623825660    
H          2.467356624       -0.9473768584E-01    -1.692637603    
H          1.190485335        0.4040588401       -0.9901909923    
O        -0.9448934590        -1.482720071        -3.783088959    
H         -1.127522501        -1.744737057        -4.685632350    
H        -0.4672528564       -0.6154792571        -3.834839423    
O         -3.317409270        -2.170470910       -0.1912744215E-01
H         -3.279274459        -1.627384152       -0.8563935736    
H         -4.082558998        -2.739255337       -0.9978569825E-01
O          3.265154872        0.6465161053         2.179508091    
H          3.992861556        0.8932234505         2.749198909    
H          3.246931191         1.310302328         1.436319564    
O         -2.925870927         2.082457363         1.266592344    
H         -3.773780283         2.487338502         1.448179901    
H         -2.994736443         1.144207348         1.615118316    
O          2.813443201        -1.938533702         1.280236802    
H          2.991222900        -1.044698493         1.616702517    
H          2.832975236        -1.872290907        0.3100880281    
O        -0.1081300299E-01   -0.8735862033E-01   -0.9601363233E-02
H        -0.7812691549        0.3943631907       -0.3883229473    
H        -0.2265697541        -1.046451292       -0.4898237953E-01
O         0.7752734765        -3.029680595        -2.275786750    
H         0.2099707397        -2.520583775        -2.882562998    
H         0.2639944627        -3.067997933        -1.447855331    
O          3.077816669         2.363926718        0.2126871695    
H          2.367748003         3.009471025        0.3826320311    
H          2.761484666         1.807774667       -0.5231826822    
O         0.5566455453        0.6878176735         2.506591097    
H          1.525206948        0.6576657915         2.564014856    
H         0.3441374653        0.4035548019         1.591505422    
O         -3.091722400       -0.7528515543        -2.203541860    
H         -2.762954912        0.1079534756        -1.891941582    
H         -2.376086059        -1.114627356        -2.755255713    
    63
Energy=    -106.840659010820    
O         0.3688140781        0.8011521011        -3.864114623    
H          1.021082917        0.7276546781        -3.135966051    
H        -0.1326830533         1.600609298        -3.682439624    
O        -0.6131688659         3.095155599         2.362274590    
H         -1.475417997         2.832099556         1.995066775    
H        -0.1707907702         2.247101028         2.577396699    
O         0.1812221483         3.033399008        -1.814201252    
H         0.9289804129         2.426113015        -1.871136780    
H         0.3630103873         3.563990873        -1.016677282    
O         0.9493300553         4.090586640        0.5565794641    
H         0.3360117053         3.716499357         1.259843328    
H          1.107173828         5.002181543        0.8003146517    
O         -3.192998597       -0.3633568295         2.094997862    
H         -2.476521162       -0.6950922336         2.679118065    
H         -3.259258132        -1.001871771         1.366730647    
O         -1.871144474         1.443072177        -1.125603295    
H         -1.230796476         2.123272576        -1.425529037    
H         -2.308015214         1.792981061       -0.3253284222    
O         -1.069733546        -1.256430690         3.494362541    
H        -0.4921825390       -0.4861270553         3.346617871    
H        -0.5653321585        -2.007340252         3.150761031    
O         0.6699104906        -3.107183923         2.276710142    
H          1.474396034        -2.631161131         1.939725176    
H         0.9842614377        -3.937461144         2.633863339    
O        -0.6668744541        -2.670671371       -0.1042660897E-01
H         -1.636669565        -2.628733434        0.7622412886E-01
H        -0.2974730332        -2.938891269        0.8522996843    
O          2.939079845        -1.786316009        -1.504028309    
H          2.125113465        -2.274803892        -1.816359243    
H          3.688862307        -2.253184532        -1.872091776    
O          1.900062481        0.6934494010        -1.623606543    
H          2.466613332       -0.9568209212E-01    -1.692522671    
H          1.190012386        0.4030531064       -0.9901668582    
O        -0.9433016452        -1.480102682        -3.782822308    
H         -1.126119326        -1.742732531        -4.685180146    
H        -0.4656215239       -0.6128736922        -3.835197000    
O         -3.317706451        -2.169666227       -0.1832275139E-01
H         -3.278255832        -1.626701499       -0.8556483695    
H         -4.084094757        -2.736719881       -0.9918902450E-01
O          3.264544051        0.6473129621         2.179101718    
H          3.992691728        0.8943443077         2.748091812    
H          3.246054369         1.310600446         1.435447483    
O         -2.925258039         2.082500126         1.267159438    
H         -3.773828093         2.486262612         1.448046895    
H         -2.993144035         1.144042289         1.615446537    
O          2.812392752        -1.937869081         1.280818869    
H          2.990158214        -1.043883006         1.616898275    
H          2.832506411        -1.871938564        0.3106270565    
O        -0.1072942546E-01   -0.8852410895E-01   -0.1033279396E-01
H        -0.7814543148        0.3932641774       -0.3884951965    
H        -0.2258778652        -1.047714425       -0.5004671604E-01
O         0.7746390207        -3.029032514        -2.277160732    
H         0.2095179238        -2.518806819        -2.883246789    
H         0.2632274180        -3.068783278        -1.449469702    
O          3.076909788         2.364569265        0.2123024183    
H          2.366617815         3.010046981        0.3817998559    
H          2.760575012         1.807806913       -0.5230879264    
O         0.5558606477        0.6870375682         2.505460639    
H          1.524358961        0.6574458435         2.563625907    
H         0.3440434798        0.4014354357         1.590599812    
O         -3.090471263       -0.7528859017        -2.202527087    
H         -2.762459444        0.1078765705        -1.889843085    
H         -2.374141745        -1.113617075        -2.754035224    
    63
Energy=    -106.840659413910    
O         0.3690165576        0.8013197778        -3.864247529    
H          1.021274559        0.7277266225        -3.136116535    
H        -0.1323518567         1.600804268        -3.682445712    
O        -0.6131268862         3.095129880         2.362256566    
H         -1.475393408         2.832114403         1.995059207    
H        -0.1707514322         2.247100462         2.577262656    
O         0.1811721426         3.033244625        -1.814246585    
H         0.9288443489         2.425861167        -1.871018617    
H         0.3629792408         3.563957834        -1.016814874    
O         0.9492455949         4.090624405        0.5563983264    
H         0.3359553274         3.716527890         1.259715589    
H          1.107116199         5.002192242        0.8002008600    
O         -3.192840179       -0.3633669179         2.095033118    
H         -2.476446154       -0.6951211682         2.679192630    
H         -3.259213109        -1.001832872         1.366774983    
O         -1.871157937         1.443018850        -1.125457783    
H         -1.230865430         2.123204555        -1.425500583    
H         -2.308015703         1.793022398       -0.3252047071    
O         -1.069703150        -1.256462833         3.494461673    
H        -0.4921310350       -0.4861483081         3.346664501    
H        -0.5653355701        -2.007367157         3.150788548    
O         0.6698639456        -3.107209868         2.276696090    
H          1.474373577        -2.631165414         1.939776066    
H         0.9842516387        -3.937418874         2.633990347    
O        -0.6668971671        -2.670829316       -0.1046990659E-01
H         -1.636679907        -2.628794466        0.7622810967E-01
H        -0.2974858998        -2.938964357        0.8522712683    
O          2.939077342        -1.786360055        -1.503958082    
H          2.125049250        -2.274828038        -1.816297471    
H          3.688824733        -2.253216746        -1.872035852    
O          1.900062794        0.6933967368        -1.623681488    
H          2.466655912       -0.9573481423E-01    -1.692437615    
H          1.190022566        0.4029671306       -0.9902426054    
O        -0.9432228291        -1.479859316        -3.782826587    
H         -1.126038476        -1.742513081        -4.685139198    
H        -0.4655190084       -0.6126548476        -3.835259851    
O         -3.317690816        -2.169695057       -0.1826910723E-01
H         -3.278239829        -1.626669152       -0.8556142759    
H         -4.084225461        -2.736588556       -0.9909392161E-01
O          3.264501515        0.6473703395         2.179077227    
H          3.992662449        0.8944153554         2.748046222    
H          3.245944399         1.310676539         1.435417422    
O         -2.925249662         2.082485118         1.267282853    
H         -3.773882307         2.486193921         1.448070085    
H         -2.993133463         1.144005747         1.615554566    
O          2.812326641        -1.937843043         1.280914768    
H          2.990111007        -1.043856098         1.616948764    
H          2.832475485        -1.871946567        0.3107243263    
O        -0.1077721387E-01   -0.8864392646E-01   -0.1034155886E-01
H        -0.7814987901        0.3931372887       -0.3885432785    
H        -0.2259482292        -1.047852197       -0.5012246086E-01
O         0.7745741490        -3.029026685        -2.277249683    
H         0.2095128693        -2.518627832        -2.883268851    
H         0.2631582271        -3.068810391        -1.449556372    
O          3.076824549         2.364556044        0.2122992812    
H          2.366556648         3.010089135        0.3816897438    
H          2.760535563         1.807817570       -0.5231153047    
O         0.5558454852        0.6869401751         2.505397883    
H          1.524344066        0.6574304327         2.563543935    
H         0.3440437516        0.4013828030         1.590532353    
O         -3.090369992       -0.7528872892        -2.202430561    
H         -2.762444370        0.1078688512        -1.889778140    
H         -2.374056159        -1.113529722        -2.753975387    
    63
Energy=    -106.840662735510    
O         0.3714265018        0.8037847626        -3.866030770    
H          1.023431036        0.7294799485        -3.137804488    
H        -0.1307517283         1.602469958        -3.682823234    
O        -0.6120611758         3.094508898         2.361100871    
H         -1.474669507         2.831968819         1.994427844    
H        -0.1700702660         2.246251187         2.576077388    
O         0.1797002242         3.031858780        -1.814112813    
H         0.9265932960         2.423408337        -1.869511712    
H         0.3618906905         3.563649563        -1.017501436    
O         0.9491611623         4.091175729        0.5552020125    
H         0.3360005510         3.716599297         1.258370968    
H          1.106581085         5.002697623        0.7994606325    
O         -3.190433950       -0.3634432932         2.095541554    
H         -2.473877918       -0.6954099817         2.679442866    
H         -3.256980110        -1.001490111         1.366949426    
O         -1.871787871         1.441872562        -1.124271787    
H         -1.231665862         2.122078727        -1.424822569    
H         -2.308464265         1.792047041       -0.3240552458    
O         -1.068728516        -1.256827852         3.496634272    
H        -0.4912173736       -0.4866017182         3.348426720    
H        -0.5653838220        -2.007711142         3.151422280    
O         0.6687061793        -3.107834919         2.276837332    
H          1.472697112        -2.630710271         1.940086844    
H         0.9844524517        -3.937102579         2.635109129    
O        -0.6671049894        -2.672996859       -0.1080091395E-01
H         -1.636813650        -2.630634692        0.7568667233E-01
H        -0.2979142621        -2.940706428        0.8521611361    
O          2.938062014        -1.786362322        -1.503220748    
H          2.123940771        -2.274480002        -1.816024782    
H          3.687727979        -2.255037948        -1.869061527    
O          1.899919752        0.6936457708        -1.623963699    
H          2.467412687       -0.9478256453E-01    -1.692406305    
H          1.189574726        0.4021738127       -0.9913757770    
O        -0.9408295450        -1.476837917        -3.782502099    
H         -1.124799464        -1.739992408        -4.684380815    
H        -0.4631425129       -0.6096254300        -3.836199313    
O         -3.317783987        -2.169324791       -0.1812646287E-01
H         -3.277660235        -1.626908895       -0.8558094954    
H         -4.086703461        -2.733241269       -0.9727334327E-01
O          3.263881789        0.6481924168         2.178532836    
H          3.992133780        0.8955769190         2.747238260    
H          3.245090853         1.311194289         1.434564542    
O         -2.925548693         2.082604552         1.268326735    
H         -3.774633719         2.485615458         1.448587558    
H         -2.992730097         1.144100073         1.616757684    
O          2.809816578        -1.936725385         1.281391941    
H          2.987921935        -1.042864741         1.617557453    
H          2.829293623        -1.870692531        0.3111721764    
O        -0.1104893875E-01   -0.9063512466E-01   -0.1114028238E-01
H        -0.7822813377        0.3910403234       -0.3884149474    
H        -0.2262222246        -1.049832420       -0.5104971101E-01
O         0.7742066790        -3.029180476        -2.277469357    
H         0.2097798776        -2.516683739        -2.882335568    
H         0.2625361724        -3.070860593        -1.449984394    
O          3.076926806         2.364752572        0.2113146578    
H          2.366947934         3.010560611        0.3805984897    
H          2.760571167         1.808291010       -0.5243284830    
O         0.5561553161        0.6860191036         2.504896432    
H          1.524705823        0.6570087823         2.562817355    
H         0.3442159800        0.4004118378         1.590136243    
O         -3.089316749       -0.7532569489        -2.202916432    
H         -2.762126183        0.1075915011        -1.889665500    
H         -2.372199016        -1.113077311        -2.753936819    
    63
Energy=    -106.840663262270    
O         0.3721056779        0.8052562555        -3.867005495    
H          1.023905585        0.7308788241        -3.138552015    
H        -0.1305813398         1.603536922        -3.683418491    
O        -0.6115034697         3.094093707         2.360656362    
H         -1.474259135         2.831849057         1.994194171    
H        -0.1696808313         2.245667765         2.575478473    
O         0.1790161766         3.031505300        -1.813631803    
H         0.9258829439         2.422952974        -1.868888061    
H         0.3612632293         3.563565774        -1.017256315    
O         0.9494833661         4.091673360        0.5548427550    
H         0.3366709174         3.716521131         1.258020378    
H          1.106582067         5.003178932        0.7994102670    
O         -3.188901625       -0.3633817888         2.095605363    
H         -2.472608316       -0.6955137573         2.679869433    
H         -3.255257092        -1.001584357         1.367050227    
O         -1.872220912         1.441144108        -1.123825899    
H         -1.232106979         2.121267732        -1.424353056    
H         -2.309050532         1.791358441       -0.3236120309    
O         -1.068223145        -1.256985801         3.497728594    
H        -0.4904921374       -0.4869277507         3.349547788    
H        -0.5651008847        -2.007931766         3.152174544    
O         0.6678976186        -3.108159332         2.277335286    
H          1.471346968        -2.630464908         1.940126586    
H         0.9843783090        -3.937189757         2.635491045    
O        -0.6673754744        -2.674503597       -0.1100723966E-01
H         -1.637090407        -2.632007371        0.7531908725E-01
H        -0.2984650518        -2.941943437        0.8521643409    
O          2.937297076        -1.785869286        -1.503115267    
H          2.123298161        -2.274168807        -1.815854542    
H          3.687001161        -2.256340707        -1.866716695    
O          1.899570009        0.6940118402        -1.624114396    
H          2.467526749       -0.9408082409E-01    -1.692932520    
H          1.189421827        0.4018608608       -0.9916483046    
O        -0.9394764576        -1.475795348        -3.782287509    
H         -1.123857873        -1.739064987        -4.684117647    
H        -0.4617176840       -0.6086775021        -3.836538698    
O         -3.317686554        -2.168982778       -0.1847850671E-01
H         -3.277554349        -1.627093466       -0.8564306022    
H         -4.088097043        -2.731035673       -0.9604520478E-01
O          3.263910811        0.6488233674         2.178000904    
H          3.991985595        0.8961760868         2.746917730    
H          3.245427560         1.311713165         1.433975009    
O         -2.925930852         2.082724626         1.268495723    
H         -3.775057399         2.485464077         1.449076117    
H         -2.992453122         1.144347655         1.617310294    
O          2.807710156        -1.935807791         1.281337764    
H          2.986607662        -1.042140107         1.617691966    
H          2.826969309        -1.869720066        0.3110883815    
O        -0.1100477456E-01   -0.9166215136E-01   -0.1136646685E-01
H        -0.7823856950        0.3900503787       -0.3882849190    
H        -0.2261567131        -1.050776294       -0.5131552622E-01
O         0.7743077237        -3.029637006        -2.277329531    
H         0.2100462025        -2.516438633        -2.881752484    
H         0.2625327570        -3.071811537        -1.450019536    
O          3.077306389         2.365076601        0.2105913243    
H          2.367477925         3.011058368        0.3800223667    
H          2.760921687         1.808628858       -0.5249719982    
O         0.5561271633        0.6853613825         2.504713448    
H          1.524734035        0.6570081406         2.562545742    
H         0.3442830709        0.3994774137         1.589953776    
O         -3.088722832       -0.7538423793        -2.203635613    
H         -2.762270191        0.1072602703        -1.890207955    
H         -2.371195916        -1.113196808        -2.754511437    
    63
Energy=    -106.840663726910    
O         0.3719056373        0.8065656488        -3.867446081    
H          1.023309400        0.7321490473        -3.138722647    
H        -0.1303895909         1.605256221        -3.684539586    
O        -0.6111234144         3.093802785         2.360447693    
H         -1.474109382         2.831867271         1.994262517    
H        -0.1694737605         2.245183928         2.574742100    
O         0.1786534650         3.031883691        -1.813204297    
H         0.9260551520         2.424034864        -1.868992013    
H         0.3611807288         3.564195836        -1.017009317    
O         0.9499624812         4.092037337        0.5550261781    
H         0.3371819106         3.716888067         1.258178719    
H          1.106706640         5.003686204        0.7993392332    
O         -3.188062712       -0.3637208315         2.096028873    
H         -2.472222152       -0.6957270320         2.680812809    
H         -3.253680363        -1.001692163         1.367256716    
O         -1.872221322         1.440620760        -1.123258284    
H         -1.232246377         2.120818131        -1.423955295    
H         -2.309277383         1.791270139       -0.3234112405    
O         -1.067712376        -1.257237897         3.499055444    
H        -0.4901063119       -0.4872056807         3.350145666    
H        -0.5649165240        -2.008333721         3.153353276    
O         0.6669197889        -3.108737995         2.277783991    
H          1.470128037        -2.630597394         1.940722641    
H         0.9838552691        -3.937581696         2.635999339    
O        -0.6677409506        -2.675764519       -0.1111355600E-01
H         -1.637447189        -2.632962472        0.7479778717E-01
H        -0.2992035634        -2.943120280        0.8522305232    
O          2.936958086        -1.786045081        -1.502554857    
H          2.123005402        -2.274364204        -1.815510195    
H          3.686925336        -2.257242727        -1.864602271    
O          1.899205970        0.6941003690        -1.624371658    
H          2.466851268       -0.9414377572E-01    -1.693685368    
H          1.189382918        0.4018725310       -0.9916209846    
O        -0.9382323513        -1.475581748        -3.782689809    
H         -1.122454805        -1.738727087        -4.684531774    
H        -0.4609447865       -0.6082074252        -3.836589638    
O         -3.317764351        -2.168627900       -0.1859321177E-01
H         -3.277263274        -1.627232845       -0.8568753589    
H         -4.089240793        -2.729376958       -0.9532415464E-01
O          3.264319776        0.6495341388         2.177427468    
H          3.992237945        0.8968432577         2.746634087    
H          3.245967137         1.312533771         1.433510345    
O         -2.926056224         2.082853189         1.268969685    
H         -3.775385863         2.485202802         1.449747486    
H         -2.992188661         1.144325990         1.617353700    
O          2.806123015        -1.935028722         1.281252243    
H          2.985788547        -1.041497086         1.617406136    
H          2.825835578        -1.869026462        0.3109956178    
O        -0.1108070015E-01   -0.9284743772E-01   -0.1127173690E-01
H        -0.7821091290        0.3892760190       -0.3883458713    
H        -0.2267661524        -1.051866441       -0.5117283418E-01
O         0.7743315487        -3.030156008        -2.277300351    
H         0.2102944136        -2.517241604        -2.882177779    
H         0.2625003418        -3.072075639        -1.449965806    
O          3.077623363         2.365803044        0.2097187694    
H          2.367834197         3.011881491        0.3789824582    
H          2.760735073         1.808928197       -0.5253511321    
O         0.5562062187        0.6848650021         2.504370701    
H          1.524824305        0.6572635534         2.561811592    
H         0.3440858166        0.3981593677         1.589973185    
O         -3.088372444       -0.7543034284        -2.204610478    
H         -2.762131818        0.1067419775        -1.890912689    
H         -2.370458936        -1.113412769        -2.755117224    
    63
Energy=    -106.840663886220    
O         0.3719721837        0.8067946022        -3.867663524    
H          1.023366190        0.7323895316        -3.138891338    
H        -0.1301866129         1.605603534        -3.684966359    
O        -0.6110478285         3.093748405         2.360336818    
H         -1.474065765         2.831918443         1.994189221    
H        -0.1693669432         2.245081389         2.574593072    
O         0.1785538922         3.031869031        -1.812968361    
H         0.9257816313         2.423824972        -1.868634102    
H         0.3610335380         3.564238344        -1.016829454    
O         0.9501207631         4.092119928        0.5550963630    
H         0.3373504188         3.716870131         1.258239229    
H          1.106814052         5.003775287        0.7993190679    
O         -3.187705760       -0.3636728860         2.096012766    
H         -2.471987125       -0.6957730740         2.680938331    
H         -3.253242527        -1.001615935         1.367172236    
O         -1.872370728         1.440332179        -1.123126580    
H         -1.232397232         2.120477194        -1.423888527    
H         -2.309377722         1.790992362       -0.3232417506    
O         -1.067644604        -1.257183594         3.499418625    
H        -0.4899551315       -0.4872812207         3.350341602    
H        -0.5649727575        -2.008373714         3.153728516    
O         0.6667050496        -3.108941671         2.277911237    
H          1.469723592        -2.630552308         1.940771628    
H         0.9838030525        -3.937732376         2.636094558    
O        -0.6678219404        -2.676000523       -0.1114503556E-01
H         -1.637531916        -2.633090145        0.7471701712E-01
H        -0.2993667708        -2.943380507        0.8522299514    
O          2.936825935        -1.785932671        -1.502500596    
H          2.123061170        -2.274470583        -1.815502657    
H          3.686929998        -2.257411402        -1.863937790    
O          1.899083098        0.6942578148        -1.624405357    
H          2.466757233       -0.9394223384E-01    -1.693852225    
H          1.189286025        0.4019811239       -0.9916567228    
O        -0.9379752725        -1.475457640        -3.782654633    
H         -1.122067529        -1.738657560        -4.684552721    
H        -0.4607864672       -0.6080454104        -3.836647937    
O         -3.317763916        -2.168510998       -0.1867280863E-01
H         -3.277238437        -1.627249693       -0.8569946754    
H         -4.089555487        -2.728830997       -0.9512954859E-01
O          3.264372784        0.6497484665         2.177396735    
H          3.992251987        0.8970708985         2.746588162    
H          3.246021621         1.312690045         1.433450534    
O         -2.926106056         2.082889526         1.268999981    
H         -3.775351299         2.485195010         1.450027884    
H         -2.992069193         1.144379942         1.617481846    
O          2.805550408        -1.934698248         1.281107138    
H          2.985348665        -1.041189002         1.617282490    
H          2.825395343        -1.868717844        0.3108383746    
O        -0.1105518822E-01   -0.9320751133E-01   -0.1141305187E-01
H        -0.7821355292        0.3889086920       -0.3883634196    
H        -0.2267440055        -1.052217071       -0.5120362267E-01
O         0.7743747511        -3.030307219        -2.277345053    
H         0.2102764435        -2.517319540        -2.882092656    
H         0.2624444805        -3.072248562        -1.450101588    
O          3.077788958         2.365942170        0.2095684768    
H          2.368152450         3.012184117        0.3789469771    
H          2.760830066         1.809070991       -0.5254336120    
O         0.5563162902        0.6847265799         2.504282240    
H          1.524973098        0.6572769157         2.561551412    
H         0.3441310282        0.3978650120         1.589944418    
O         -3.088351091       -0.7544880772        -2.204839760    
H         -2.762248296        0.1066058118        -1.891057144    
H         -2.370395963        -1.113570628        -2.755354815    
    63
Energy=    -106.840664380090    
O         0.3716962817        0.8069634904        -3.867705393    
H          1.022679381        0.7326552726        -3.138541136    
H        -0.1297965281         1.606414022        -3.686040353    
O        -0.6105499872         3.093466259         2.360263600    
H         -1.473607557         2.831787766         1.994058482    
H        -0.1690762390         2.244687283         2.574364964    
O         0.1780158065         3.032266855        -1.812344641    
H         0.9250838343         2.424004697        -1.867890047    
H         0.3606739683         3.564686220        -1.016265221    
O         0.9505934201         4.092639395        0.5555507199    
H         0.3378851667         3.717086007         1.258584215    
H          1.107166585         5.004202837        0.8002031529    
O         -3.187468611       -0.3637810317         2.096388145    
H         -2.471687206       -0.6958152395         2.681261239    
H         -3.253111454        -1.001608800         1.367473310    
O         -1.872159150         1.439803673        -1.122996396    
H         -1.232277144         2.120126449        -1.423609407    
H         -2.309143200         1.790325455       -0.3230400344    
O         -1.067575268        -1.256695417         3.500425647    
H        -0.4895501528       -0.4871746235         3.350569697    
H        -0.5655259081        -2.008441900         3.155077328    
O         0.6658441743        -3.109344368         2.278284641    
H          1.468649339        -2.630597114         1.941168576    
H         0.9833780570        -3.938119286         2.636125690    
O        -0.6681816050        -2.676752286       -0.1127093081E-01
H         -1.637842023        -2.633112461        0.7462886375E-01
H        -0.2999194054        -2.943873071        0.8522413787    
O          2.936896558        -1.786075242        -1.502379060    
H          2.123512069        -2.274968194        -1.815800633    
H          3.687484596        -2.257325364        -1.863069013    
O          1.898452404        0.6942681240        -1.624217106    
H          2.466357925       -0.9373190726E-01    -1.693618127    
H          1.188632382        0.4016033708       -0.9916218864    
O        -0.9377634804        -1.475783967        -3.783530331    
H         -1.120054576        -1.739467193        -4.685643158    
H        -0.4612282943       -0.6080106567        -3.836989622    
O         -3.317970194        -2.167911942       -0.1878133565E-01
H         -3.277351637        -1.626738214       -0.8571882096    
H         -4.089918208        -2.728038870       -0.9518354161E-01
O          3.264648358        0.6508778313         2.177027828    
H          3.992527114        0.8982526593         2.746173545    
H          3.246468281         1.313682042         1.432916232    
O         -2.925452666         2.082540688         1.269380535    
H         -3.774418690         2.485121496         1.451057535    
H         -2.991478300         1.144064000         1.618013040    
O          2.804185291        -1.933955702         1.281479141    
H          2.984277077        -1.040450569         1.617375839    
H          2.824327409        -1.868384672        0.3112221997    
O        -0.1123210955E-01   -0.9408625858E-01   -0.1171792264E-01
H        -0.7824982355        0.3879120350       -0.3884747194    
H        -0.2265935161        -1.053173638       -0.5167632257E-01
O         0.7745017327        -3.030789708        -2.277769286    
H         0.2106674220        -2.517543287        -2.882556002    
H         0.2623781890        -3.073029396        -1.450676257    
O          3.078145931         2.366555011        0.2089183173    
H          2.368648254         3.012814328        0.3787002283    
H          2.760682664         1.809607981       -0.5258172968    
O         0.5564511601        0.6844135631         2.503631803    
H          1.525101566        0.6573740881         2.560990984    
H         0.3443649787        0.3974202240         1.589305551    
O         -3.088201130       -0.7545470741        -2.205250875    
H         -2.761571774        0.1064070645        -1.891636278    
H         -2.370662023        -1.113945134        -2.756052406    
    63
Energy=    -106.840664391690    
O         0.3716930797        0.8069620380        -3.867701918    
H          1.022669325        0.7326451735        -3.138537288    
H        -0.1298131368         1.606407983        -3.686049431    
O        -0.6105281878         3.093458653         2.360269890    
H         -1.473574561         2.831773411         1.994049642    
H        -0.1690359127         2.244665738         2.574375465    
O         0.1779908265         3.032259817        -1.812287152    
H         0.9250431891         2.423990069        -1.867852531    
H         0.3606541474         3.564704617        -1.016238140    
O         0.9506134313         4.092659497        0.5555731653    
H         0.3379269711         3.717068037         1.258610092    
H          1.107198291         5.004212718        0.8002504137    
O         -3.187457817       -0.3637735150         2.096401412    
H         -2.471672860       -0.6958145892         2.681279965    
H         -3.253115161        -1.001609527         1.367489624    
O         -1.872189406         1.439783684        -1.122991370    
H         -1.232296178         2.120100969        -1.423591803    
H         -2.309162784         1.790277012       -0.3230283817    
O         -1.067570136        -1.256678148         3.500450440    
H        -0.4895374471       -0.4871597035         3.350569357    
H        -0.5655316636        -2.008429509         3.155103248    
O         0.6657994431        -3.109345356         2.278308309    
H          1.468571819        -2.630570656         1.941198724    
H         0.9833532901        -3.938128611         2.636103369    
O        -0.6681855637        -2.676787642       -0.1129992350E-01
H         -1.637861240        -2.633123645        0.7461182914E-01
H        -0.2999334540        -2.943896731        0.8522433189    
O          2.936884979        -1.786057564        -1.502384196    
H          2.123514007        -2.274949490        -1.815787087    
H          3.687485245        -2.257311523        -1.863051235    
O          1.898451545        0.6942878444        -1.624193155    
H          2.466365321       -0.9371449208E-01    -1.693613104    
H          1.188638292        0.4015986002       -0.9916170102    
O        -0.9377546592        -1.475806451        -3.783551038    
H         -1.119981109        -1.739521909        -4.685670665    
H        -0.4612158701       -0.6080354190        -3.837016644    
O         -3.317966937        -2.167892373       -0.1879819812E-01
H         -3.277364240        -1.626706573       -0.8571933789    
H         -4.089915693        -2.728008281       -0.9518206416E-01
O          3.264636309        0.6509163513         2.177013210    
H          3.992531185        0.8983012177         2.746160829    
H          3.246498513         1.313702102         1.432882677    
O         -2.925416662         2.082524355         1.269382820    
H         -3.774362660         2.485144569         1.451095723    
H         -2.991446598         1.144049537         1.618020129    
O          2.804105792        -1.933915256         1.281492654    
H          2.984237429        -1.040403500         1.617388797    
H          2.824251689        -1.868339562        0.3112221746    
O        -0.1122621747E-01   -0.9412961557E-01   -0.1173357376E-01
H        -0.7825021595        0.3878827623       -0.3884829788    
H        -0.2266055934        -1.053214886       -0.5169000703E-01
O         0.7745137957        -3.030786483        -2.277799520    
H         0.2106585610        -2.517535793        -2.882552120    
H         0.2624076348        -3.073078401        -1.450695208    
O          3.078154957         2.366562259        0.2089034245    
H          2.368671793         3.012856150        0.3786773487    
H          2.760689946         1.809640372       -0.5258399622    
O         0.5564739663        0.6844076679         2.503605719    
H          1.525118644        0.6573744957         2.560973285    
H         0.3443781020        0.3973909004         1.589300283    
O         -3.088198172       -0.7545557342        -2.205302229    
H         -2.761567713        0.1063949126        -1.891667300    
H         -2.370680626        -1.113964973        -2.756099242    
    63
Energy=    -106.840664400670    
O         0.3717280688        0.8069737780        -3.867716629    
H          1.022684400        0.7326354334        -3.138546833    
H        -0.1297833214         1.606419706        -3.686078067    
O        -0.6105082174         3.093458243         2.360284724    
H         -1.473552986         2.831770364         1.994045177    
H        -0.1689995774         2.244661286         2.574374030    
O         0.1779754529         3.032234131        -1.812256697    
H         0.9250146393         2.423952113        -1.867810389    
H         0.3606297314         3.564706422        -1.016227878    
O         0.9506169152         4.092675680        0.5555761157    
H         0.3379553169         3.717053350         1.258617463    
H          1.107219534         5.004221759        0.8002632227    
O         -3.187450202       -0.3637745551         2.096421351    
H         -2.471665012       -0.6958137507         2.681306605    
H         -3.253109214        -1.001606798         1.367503338    
O         -1.872221907         1.439761256        -1.122985365    
H         -1.232326080         2.120078556        -1.423578446    
H         -2.309182372         1.790223301       -0.3230031094    
O         -1.067570613        -1.256661272         3.500460886    
H        -0.4895352855       -0.4871555928         3.350567543    
H        -0.5655283654        -2.008416769         3.155118303    
O         0.6657665001        -3.109343230         2.278331322    
H          1.468510938        -2.630545140         1.941216362    
H         0.9833324496        -3.938138284         2.636092662    
O        -0.6681916642        -2.676826763       -0.1132604547E-01
H         -1.637876379        -2.633143907        0.7459767821E-01
H        -0.2999453209        -2.943919226        0.8522353122    
O          2.936877008        -1.786040795        -1.502385969    
H          2.123514296        -2.274935434        -1.815771600    
H          3.687482159        -2.257310411        -1.863040407    
O          1.898476088        0.6942965165        -1.624170137    
H          2.466382290       -0.9370555369E-01    -1.693618189    
H          1.188645653        0.4015935224       -0.9916138947    
O        -0.9377645943        -1.475794301        -3.783555448    
H         -1.119934182        -1.739538209        -4.685681364    
H        -0.4611899484       -0.6080502993        -3.837038640    
O         -3.317957343        -2.167876201       -0.1880313169E-01
H         -3.277370200        -1.626693303       -0.8571909792    
H         -4.089914585        -2.727989212       -0.9517123178E-01
O          3.264628850        0.6509468801         2.177005842    
H          3.992522026        0.8983357883         2.746158483    
H          3.246510901         1.313713142         1.432868453    
O         -2.925399290         2.082523987         1.269399297    
H         -3.774335018         2.485165683         1.451137669    
H         -2.991429360         1.144048381         1.618031698    
O          2.804049591        -1.933887357         1.281501180    
H          2.984211737        -1.040362912         1.617395509    
H          2.824204882        -1.868305123        0.3112215108    
O        -0.1123403891E-01   -0.9416013964E-01   -0.1174340892E-01
H        -0.7825120520        0.3878534384       -0.3884846116    
H        -0.2266095848        -1.053248624       -0.5170316123E-01
O         0.7745308687        -3.030770217        -2.277821129    
H         0.2106416101        -2.517513266        -2.882543657    
H         0.2624295127        -3.073102641        -1.450718104    
O          3.078157606         2.366569224        0.2089028198    
H          2.368690972         3.012890248        0.3786574278    
H          2.760696204         1.809658827       -0.5258588374    
O         0.5564919318        0.6843982955         2.503586039    
H          1.525141813        0.6573727798         2.560941499    
H         0.3443856730        0.3973558608         1.589294053    
O         -3.088214987       -0.7545634139        -2.205349257    
H         -2.761592225        0.1063800715        -1.891676079    
H         -2.370690591        -1.113977721        -2.756135397    
    63
Energy=    -106.840664454110    
O         0.3718655783        0.8069053499        -3.867689700    
H          1.022684272        0.7325045120        -3.138406481    
H        -0.1296187826         1.606368099        -3.686057064    
O        -0.6102618241         3.093429262         2.360467493    
H         -1.473225566         2.831713370         1.994057499    
H        -0.1686953626         2.244625376         2.574364705    
O         0.1778015700         3.032213758        -1.812102672    
H         0.9248346001         2.423916127        -1.867590972    
H         0.3604900174         3.564742894        -1.016115556    
O         0.9506246957         4.092810472        0.5556030222    
H         0.3380769108         3.717070997         1.258680336    
H          1.107390410         5.004260079        0.8005387020    
O         -3.187612014       -0.3638342583         2.096731792    
H         -2.471741981       -0.6958228324         2.681549069    
H         -3.253256340        -1.001612063         1.367777771    
O         -1.872320750         1.439619402        -1.122977582    
H         -1.232495009         2.120051735        -1.423466989    
H         -2.309202745         1.789899322       -0.3228743838    
O         -1.067601985        -1.256517042         3.500510204    
H        -0.4895895082       -0.4870239170         3.350438053    
H        -0.5655639413        -2.008292318         3.155214606    
O         0.6654050713        -3.109296282         2.278449628    
H          1.468096891        -2.630302793         1.941477853    
H         0.9830269818        -3.938179632         2.635972445    
O        -0.6682805609        -2.677138362       -0.1150018528E-01
H         -1.637947147        -2.633304394        0.7444471301E-01
H        -0.3001041487        -2.944063881        0.8521254809    
O          2.936938838        -1.785994705        -1.502269927    
H          2.123536561        -2.274821693        -1.815689626    
H          3.687451509        -2.257167243        -1.863223028    
O          1.898574917        0.6942000107        -1.624035461    
H          2.466548306       -0.9377334267E-01    -1.693535555    
H          1.188739136        0.4014604156       -0.9915186315    
O        -0.9378007885        -1.475868258        -3.783798277    
H         -1.119431971        -1.739860545        -4.685953136    
H        -0.4610868057       -0.6082081304        -3.837249323    
O         -3.317937486        -2.167682444       -0.1878606414E-01
H         -3.277394490        -1.626531618       -0.8572004640    
H         -4.089732636        -2.728015998       -0.9525041074E-01
O          3.264654940        0.6511983582         2.176907708    
H          3.992480562        0.8986709169         2.746096691    
H          3.246493747         1.313895345         1.432704380    
O         -2.925099905         2.082436247         1.269587023    
H         -3.773915724         2.485250456         1.451493523    
H         -2.991330329         1.143939737         1.618136890    
O          2.803724183        -1.933641644         1.281708345    
H          2.984097258        -1.040145703         1.617516987    
H          2.823957824        -1.868141732        0.3114440681    
O        -0.1138502911E-01   -0.9438724448E-01   -0.1176144739E-01
H        -0.7826439838        0.3876571506       -0.3885076132    
H        -0.2267129295        -1.053472670       -0.5187145762E-01
O         0.7746527264        -3.030611175        -2.278069419    
H         0.2105525174        -2.517360774        -2.882608494    
H         0.2626141584        -3.073237380        -1.450951016    
O          3.078132952         2.366741449        0.2087027853    
H          2.368709559         3.013107179        0.3784081704    
H          2.760647506         1.809762500       -0.5259997094    
O         0.5566646354        0.6842658241         2.503431130    
H          1.525331751        0.6573926828         2.560598523    
H         0.3444567852        0.3971438038         1.589191981    
O         -3.088327820       -0.7545370268        -2.205577888    
H         -2.761589437        0.1063245608        -1.891801787    
H         -2.370839267        -1.113972691        -2.756381774    
    63
Energy=    -106.840664462590    
O         0.3718828375        0.8068794727        -3.867670084    
H          1.022692140        0.7324905851        -3.138371018    
H        -0.1296109053         1.606332892        -3.686021460    
O        -0.6101872618         3.093415819         2.360480690    
H         -1.473161368         2.831702775         1.994078312    
H        -0.1686372470         2.244613428         2.574371070    
O         0.1777790399         3.032222188        -1.812085477    
H         0.9248091203         2.423908003        -1.867543494    
H         0.3604642948         3.564742670        -1.016100217    
O         0.9506344267         4.092824116        0.5556124703    
H         0.3380775586         3.717099104         1.258694370    
H          1.107422786         5.004261445        0.8005940525    
O         -3.187647612       -0.3638383155         2.096791061    
H         -2.471769236       -0.6958301211         2.681586912    
H         -3.253270749        -1.001610641         1.367835731    
O         -1.872322612         1.439583980        -1.122964414    
H         -1.232526941         2.120047141        -1.423454340    
H         -2.309200733         1.789854962       -0.3228568102    
O         -1.067608277        -1.256484365         3.500517648    
H        -0.4895991006       -0.4869928775         3.350428288    
H        -0.5655864528        -2.008279679         3.155225798    
O         0.6653332326        -3.109285475         2.278455752    
H          1.468030314        -2.630266743         1.941528496    
H         0.9829653223        -3.938171272         2.635951559    
O        -0.6682951532        -2.677206282       -0.1154061809E-01
H         -1.637960203        -2.633333573        0.7440188356E-01
H        -0.3001324315        -2.944092632        0.8521045410    
O          2.936946520        -1.785993104        -1.502236475    
H          2.123535148        -2.274796275        -1.815684310    
H          3.687439000        -2.257125246        -1.863261915    
O          1.898565785        0.6941746163        -1.624042824    
H          2.466570673       -0.9377583255E-01    -1.693506656    
H          1.188758675        0.4014301192       -0.9914944892    
O        -0.9377819192        -1.475890619        -3.783856267    
H         -1.119343027        -1.739927670        -4.686007654    
H        -0.4610713107       -0.6082194227        -3.837281612    
O         -3.317944897        -2.167637522       -0.1878547784E-01
H         -3.277386642        -1.626513857       -0.8572239705    
H         -4.089693371        -2.728015354       -0.9527419802E-01
O          3.264682545        0.6512280054         2.176872527    
H          3.992478304        0.8987418222         2.746081705    
H          3.246462937         1.313947055         1.432685298    
O         -2.925047160         2.082411226         1.269614528    
H         -3.773829875         2.485254981         1.451553568    
H         -2.991316195         1.143919019         1.618183645    
O          2.803651537        -1.933584054         1.281754510    
H          2.984069835        -1.040106284         1.617548372    
H          2.823926591        -1.868117032        0.3114958393    
O        -0.1140633579E-01   -0.9441528644E-01   -0.1178509259E-01
H        -0.7826757876        0.3876172151       -0.3885145033    
H        -0.2267300010        -1.053511277       -0.5190230942E-01
O         0.7746621792        -3.030581524        -2.278097193    
H         0.2105466656        -2.517332835        -2.882633628    
H         0.2626357634        -3.073261552        -1.450984199    
O          3.078141146         2.366785961        0.2086468505    
H          2.368704652         3.013141448        0.3783651648    
H          2.760638943         1.809773992       -0.5260227364    
O         0.5566988712        0.6842405862         2.503403971    
H          1.525372311        0.6573958967         2.560532852    
H         0.3444661128        0.3971021440         1.589166095    
O         -3.088336455       -0.7545523455        -2.205585986    
H         -2.761586900        0.1063217939        -1.891841923    
H         -2.370868002        -1.113957791        -2.756422727    
    63
Energy=    -106.840664475400    
O         0.3719183663        0.8068369204        -3.867638362    
H          1.022736326        0.7324665141        -3.138340629    
H        -0.1296305003         1.606250422        -3.685963158    
O        -0.6100769661         3.093392239         2.360489849    
H         -1.473065260         2.831694003         1.994125427    
H        -0.1685266844         2.244582588         2.574398002    
O         0.1777637752         3.032207759        -1.812040118    
H         0.9247695824         2.423864823        -1.867453317    
H         0.3604142848         3.564735356        -1.016050422    
O         0.9506657621         4.092842140        0.5556540904    
H         0.3380944002         3.717129517         1.258730104    
H          1.107499872         5.004264699        0.8006573632    
O         -3.187690845       -0.3638283289         2.096860035    
H         -2.471810550       -0.6958380118         2.681661957    
H         -3.253252521        -1.001596790         1.367889358    
O         -1.872333288         1.439510540        -1.122940918    
H         -1.232603414         2.120013250        -1.423449932    
H         -2.309231056         1.789752624       -0.3228257478    
O         -1.067630330        -1.256426199         3.500515069    
H        -0.4896035001       -0.4869506902         3.350443043    
H        -0.5656295047        -2.008248509         3.155242654    
O         0.6652218323        -3.109260027         2.278468149    
H          1.467910177        -2.630212735         1.941578734    
H         0.9828740271        -3.938159540         2.635909055    
O        -0.6683176516        -2.677330179       -0.1161310716E-01
H         -1.637987851        -2.633378890        0.7431258868E-01
H        -0.3001753517        -2.944145650        0.8520610698    
O          2.936926501        -1.785962803        -1.502195650    
H          2.123515697        -2.274740010        -1.815679132    
H          3.687424481        -2.257056666        -1.863276802    
O          1.898547589        0.6941744014        -1.624050285    
H          2.466598461       -0.9374707123E-01    -1.693489955    
H          1.188787640        0.4014085653       -0.9914675959    
O        -0.9377511110        -1.475921459        -3.783909262    
H         -1.119224088        -1.740032649        -4.686065001    
H        -0.4610321441       -0.6082524572        -3.837326577    
O         -3.317933327        -2.167562895       -0.1880430649E-01
H         -3.277360916        -1.626503874       -0.8572801312    
H         -4.089646932        -2.727995001       -0.9530196315E-01
O          3.264739657        0.6512636625         2.176805949    
H          3.992466985        0.8988593010         2.746063156    
H          3.246426140         1.314039769         1.432671305    
O         -2.924983201         2.082367639         1.269640284    
H         -3.773717780         2.485294579         1.451655635    
H         -2.991283306         1.143904319         1.618279495    
O          2.803483796        -1.933484504         1.281796819    
H          2.984006750        -1.040011593         1.617583065    
H          2.823865225        -1.868053351        0.3115325895    
O        -0.1142095273E-01   -0.9447213951E-01   -0.1183063291E-01
H        -0.7827283143        0.3875482646       -0.3885263491    
H        -0.2267276709        -1.053553424       -0.5193273752E-01
O         0.7746806098        -3.030527675        -2.278119366    
H         0.2105445809        -2.517303534        -2.882654158    
H         0.2626557574        -3.073288886        -1.451004804    
O          3.078173483         2.366846058        0.2085863047    
H          2.368738950         3.013200444        0.3783154606    
H          2.760650623         1.809804393       -0.5260553244    
O         0.5567726281        0.6842040489         2.503344884    
H          1.525447466        0.6573949487         2.560433883    
H         0.3444793921        0.3970164696         1.589148682    
O         -3.088356761       -0.7545970241        -2.205622773    
H         -2.761654341        0.1062951150        -1.891922382    
H         -2.370903594        -1.113965205        -2.756513680    
    63
Energy=    -106.840664487840    
O         0.3719559158        0.8068311159        -3.867635481    
H          1.022777705        0.7324510019        -3.138348141    
H        -0.1296145003         1.606231784        -3.685958796    
O        -0.6100415201         3.093380328         2.360494599    
H         -1.473044729         2.831691209         1.994150227    
H        -0.1684786914         2.244570461         2.574407472    
O         0.1777661912         3.032184521        -1.812022674    
H         0.9247576413         2.423831819        -1.867424747    
H         0.3603963279         3.564727759        -1.016045469    
O         0.9506771255         4.092855894        0.5556645109    
H         0.3381052098         3.717135945         1.258741780    
H          1.107528599         5.004276529        0.8006531840    
O         -3.187702525       -0.3638286204         2.096883522    
H         -2.471836126       -0.6958361804         2.681701725    
H         -3.253239293        -1.001585639         1.367898441    
O         -1.872350480         1.439485793        -1.122928007    
H         -1.232632292         2.119995602        -1.423451819    
H         -2.309251185         1.789706830       -0.3228054563    
O         -1.067642213        -1.256402923         3.500518470    
H        -0.4895990969       -0.4869438718         3.350461546    
H        -0.5656478975        -2.008227801         3.155243368    
O         0.6651893816        -3.109246752         2.278471820    
H          1.467866349        -2.630196753         1.941581257    
H         0.9828427677        -3.938155543         2.635898774    
O        -0.6683266389        -2.677380874       -0.1164863213E-01
H         -1.638000544        -2.633402506        0.7427329054E-01
H        -0.3001875766        -2.944176594        0.8520437528    
O          2.936913460        -1.785954594        -1.502184121    
H          2.123506400        -2.274717447        -1.815673722    
H          3.687424785        -2.257038765        -1.863264085    
O          1.898553931        0.6941815268        -1.624041793    
H          2.466601825       -0.9373211409E-01    -1.693487520    
H          1.188787009        0.4013961346       -0.9914691543    
O        -0.9377434785        -1.475912587        -3.783911795    
H         -1.119195304        -1.740045066        -4.686071027    
H        -0.4610133620       -0.6082550528        -3.837348921    
O         -3.317919217        -2.167542498       -0.1881321610E-01
H         -3.277348382        -1.626507606       -0.8572932970    
H         -4.089631877        -2.727980694       -0.9530495442E-01
O          3.264755153        0.6512781421         2.176774134    
H          3.992456576        0.8989119883         2.746058607    
H          3.246424767         1.314077022         1.432667450    
O         -2.924974092         2.082354655         1.269657006    
H         -3.773690843         2.485316613         1.451700837    
H         -2.991271628         1.143904239         1.618333917    
O          2.803420385        -1.933452449         1.281807071    
H          2.983983302        -1.039979156         1.617588374    
H          2.823850496        -1.868034314        0.3115349161    
O        -0.1142787092E-01   -0.9449595610E-01   -0.1184871568E-01
H        -0.7827401617        0.3875143219       -0.3885261982    
H        -0.2267241060        -1.053581627       -0.5193801293E-01
O         0.7746889633        -3.030501141        -2.278116104    
H         0.2105454749        -2.517282610        -2.882655158    
H         0.2626506924        -3.073283839        -1.451011345    
O          3.078184399         2.366855156        0.2085793367    
H          2.368749759         3.013227828        0.3782994156    
H          2.760656397         1.809819500       -0.5260652593    
O         0.5567938195        0.6842005103         2.503324433    
H          1.525475921        0.6573865283         2.560395747    
H         0.3444845321        0.3969757486         1.589138392    
O         -3.088364833       -0.7546291201        -2.205652603    
H         -2.761708280        0.1062909775        -1.891940252    
H         -2.370911417        -1.113979189        -2.756551423    
    63
Energy=    -106.840664532830    
O         0.3721534597        0.8066382430        -3.867539939    
H          1.023016741        0.7323045816        -3.138271596    
H        -0.1295656800         1.605912509        -3.685722433    
O        -0.6097729941         3.093276614         2.360668988    
H         -1.472794860         2.831550926         1.994397712    
H        -0.1681460021         2.244445594         2.574360374    
O         0.1776572029         3.032058822        -1.811920841    
H         0.9247135795         2.423774046        -1.867323007    
H         0.3603117541         3.564691521        -1.016005849    
O         0.9507090330         4.092963139        0.5556451119    
H         0.3382124375         3.717267385         1.258794718    
H          1.107747222         5.004346533        0.8006622047    
O         -3.188010482       -0.3638769672         2.097158830    
H         -2.472125397       -0.6957960587         2.682007662    
H         -3.253310168        -1.001467777         1.368014649    
O         -1.872516036         1.439359613        -1.122921927    
H         -1.232751366         2.119834809        -1.423419762    
H         -2.309256878         1.789558140       -0.3227052169    
O         -1.067729960        -1.256200235         3.500658649    
H        -0.4895882364       -0.4868244598         3.350529771    
H        -0.5659264753        -2.008063986         3.155184681    
O         0.6648774398        -3.109141744         2.278395368    
H          1.467578208        -2.630072188         1.941565788    
H         0.9825024344        -3.938056658         2.635833868    
O        -0.6683878706        -2.677590859       -0.1184347003E-01
H         -1.638064591        -2.633542115        0.7398509365E-01
H        -0.3003457346        -2.944409288        0.8518817727    
O          2.936936216        -1.785882429        -1.502054471    
H          2.123510775        -2.274584318        -1.815645341    
H          3.687431435        -2.256848204        -1.863297810    
O          1.898533801        0.6941595569        -1.623893510    
H          2.466595330       -0.9375457348E-01    -1.693345479    
H          1.188658763        0.4012800985       -0.9914793627    
O        -0.9376797986        -1.475926148        -3.784052186    
H         -1.118931543        -1.740142512        -4.686221014    
H        -0.4609435082       -0.6082604257        -3.837471947    
O         -3.317784816        -2.167477046       -0.1886704845E-01
H         -3.277223491        -1.626480643       -0.8573824280    
H         -4.089428075        -2.728012533       -0.9538829064E-01
O          3.264887851        0.6515773235         2.176588160    
H          3.992428328        0.8993647595         2.745995424    
H          3.246545686         1.314395519         1.432477016    
O         -2.924746775         2.082243522         1.269989971    
H         -3.773373146         2.485397350         1.452024783    
H         -2.991261116         1.143817206         1.618708820    
O          2.803172015        -1.933300649         1.281956578    
H          2.983837039        -1.039835164         1.617645414    
H          2.823824210        -1.868021258        0.3116842518    
O        -0.1146749234E-01   -0.9476232054E-01   -0.1190608793E-01
H        -0.7827442250        0.3872885818       -0.3885972243    
H        -0.2267404641        -1.053858954       -0.5206393194E-01
O         0.7747197460        -3.030354615        -2.278144566    
H         0.2106564282        -2.517126058        -2.882744014    
H         0.2625562286        -3.073110179        -1.451106661    
O          3.078194642         2.367045634        0.2084473319    
H          2.368705419         3.013351184        0.3781508042    
H          2.760684354         1.809883428       -0.5261095083    
O         0.5569393662        0.6840863517         2.503157639    
H          1.525627375        0.6572871382         2.560112125    
H         0.3445281556        0.3968215856         1.589014172    
O         -3.088460874       -0.7547101837        -2.205879728    
H         -2.761939524        0.1062377714        -1.892134255    
H         -2.370923994        -1.113971336        -2.756729342    
    63
Energy=    -106.840664551540    
O         0.3722766224        0.8066234140        -3.867532970    
H          1.023125911        0.7322328849        -3.138260552    
H        -0.1295107078         1.605836586        -3.685627321    
O        -0.6096492166         3.093245076         2.360695848    
H         -1.472718203         2.831537918         1.994524063    
H        -0.1679964769         2.244409653         2.574352615    
O         0.1775868528         3.031933483        -1.811897770    
H         0.9246723070         2.423695269        -1.867294359    
H         0.3602390257         3.564641301        -1.016036680    
O         0.9507026601         4.092976382        0.5556026454    
H         0.3382941169         3.717270983         1.258824265    
H          1.107823396         5.004348976        0.8005978630    
O         -3.188117350       -0.3638991297         2.097235505    
H         -2.472222921       -0.6957925177         2.682087926    
H         -3.253304680        -1.001446211         1.368042537    
O         -1.872604735         1.439269436        -1.122848703    
H         -1.232842099         2.119730597        -1.423388481    
H         -2.309303780         1.789470719       -0.3226084144    
O         -1.067794814        -1.256116002         3.500708707    
H        -0.4896051978       -0.4867836591         3.350569756    
H        -0.5660662212        -2.007995636         3.155171683    
O         0.6647424800        -3.109123101         2.278332519    
H          1.467426754        -2.630031671         1.941522243    
H         0.9823960468        -3.937994635         2.635841880    
O        -0.6684130180        -2.677648721       -0.1192097471E-01
H         -1.638099548        -2.633566388        0.7390030281E-01
H        -0.3003837450        -2.944470417        0.8518122357    
O          2.936934348        -1.785836163        -1.502056229    
H          2.123521824        -2.274585239        -1.815580015    
H          3.687454527        -2.256797057        -1.863285128    
O          1.898560780        0.6941715341        -1.623865636    
H          2.466629967       -0.9374572977E-01    -1.693251654    
H          1.188673037        0.4013066939       -0.9914602531    
O        -0.9377010153        -1.475884220        -3.784056188    
H         -1.118893711        -1.740098609        -4.686233323    
H        -0.4608745525       -0.6082634949        -3.837446731    
O         -3.317724617        -2.167453435       -0.1890824337E-01
H         -3.277226929        -1.626493181       -0.8574430317    
H         -4.089354453        -2.728006989       -0.9537174584E-01
O          3.264938465        0.6516927305         2.176568540    
H          3.992440077        0.8995360731         2.746013327    
H          3.246653037         1.314466921         1.432429142    
O         -2.924689669         2.082249239         1.270128305    
H         -3.773295285         2.485454162         1.452152088    
H         -2.991266615         1.143821454         1.618828914    
O          2.803135249        -1.933255259         1.281975246    
H          2.983773485        -1.039760148         1.617639876    
H          2.823777531        -1.867995182        0.3117018245    
O        -0.1148247968E-01   -0.9483880825E-01   -0.1199949588E-01
H        -0.7828022830        0.3871663184       -0.3886472043    
H        -0.2267410040        -1.053940359       -0.5212099334E-01
O         0.7747531033        -3.030279232        -2.278155176    
H         0.2106980693        -2.517065478        -2.882779114    
H         0.2625542307        -3.073060158        -1.451136970    
O          3.078252086         2.367161903        0.2083879445    
H          2.368699340         3.013395198        0.3781329215    
H          2.760715208         1.809931845       -0.5261076286    
O         0.5569964505        0.6839854408         2.503095261    
H          1.525693898        0.6572562306         2.560035497    
H         0.3445666105        0.3967525977         1.588944027    
O         -3.088512697       -0.7547789281        -2.205990432    
H         -2.762071614        0.1061944689        -1.892222165    
H         -2.370926755        -1.114002128        -2.756812442    
    63
Energy=    -106.840664560290    
O         0.3722779164        0.8066093686        -3.867509193    
H          1.023132088        0.7322078495        -3.138240705    
H        -0.1295292691         1.605801510        -3.685559753    
O        -0.6095850056         3.093227257         2.360711553    
H         -1.472680951         2.831541665         1.994572914    
H        -0.1679432078         2.244389576         2.574356175    
O         0.1775544758         3.031902219        -1.811904316    
H         0.9246740426         2.423706031        -1.867329102    
H         0.3602085638         3.564629627        -1.016055160    
O         0.9506985177         4.092974365        0.5555860487    
H         0.3383162995         3.717266122         1.258827701    
H          1.107835835         5.004346319        0.8005763277    
O         -3.188159578       -0.3639223651         2.097252836    
H         -2.472265679       -0.6957896474         2.682117556    
H         -3.253335297        -1.001465106         1.368057067    
O         -1.872616352         1.439246365        -1.122806010    
H         -1.232856935         2.119704788        -1.423359712    
H         -2.309303485         1.789456056       -0.3225653850    
O         -1.067838675        -1.256088138         3.500728763    
H        -0.4896347393       -0.4867689190         3.350577716    
H        -0.5661342566        -2.007972622         3.155173607    
O         0.6646950488        -3.109115402         2.278291864    
H          1.467384532        -2.630015913         1.941503018    
H         0.9823485868        -3.937961621         2.635864548    
O        -0.6684264429        -2.677658586       -0.1195015235E-01
H         -1.638114685        -2.633556289        0.7388352946E-01
H        -0.3003975463        -2.944474355        0.8517836305    
O          2.936954406        -1.785849850        -1.502029178    
H          2.123533638        -2.274597834        -1.815555509    
H          3.687471894        -2.256773277        -1.863287677    
O          1.898582989        0.6941703020        -1.623840438    
H          2.466644306       -0.9375541026E-01    -1.693209279    
H          1.188677995        0.4013335136       -0.9914430121    
O        -0.9376899802        -1.475884646        -3.784059268    
H         -1.118895641        -1.740060934        -4.686250212    
H        -0.4608486841       -0.6082725613        -3.837427907    
O         -3.317721989        -2.167428213       -0.1892508007E-01
H         -3.277236836        -1.626489705       -0.8574797646    
H         -4.089324665        -2.728022642       -0.9536781771E-01
O          3.264971975        0.6517354412         2.176558182    
H          3.992456143        0.8996005564         2.746017103    
H          3.246707315         1.314495177         1.432402365    
O         -2.924671705         2.082242586         1.270172973    
H         -3.773266522         2.485477948         1.452187205    
H         -2.991267344         1.143808400         1.618857227    
O          2.803141271        -1.933251337         1.281986205    
H          2.983778622        -1.039755414         1.617637462    
H          2.823773382        -1.867997342        0.3117164997    
O        -0.1150910398E-01   -0.9485473963E-01   -0.1202106851E-01
H        -0.7828504890        0.3871283161       -0.3886717465    
H        -0.2267510414        -1.053954231       -0.5215161012E-01
O         0.7747770348        -3.030262280        -2.278168461    
H         0.2107212989        -2.517062101        -2.882803527    
H         0.2625648631        -3.073046276        -1.451157085    
O          3.078264972         2.367201769        0.2083540268    
H          2.368692390         3.013407479        0.3781157504    
H          2.760710573         1.809963816       -0.5261253169    
O         0.5570159990        0.6839445640         2.503073929    
H          1.525714127        0.6572482666         2.560018396    
H         0.3445941698        0.3967222610         1.588913642    
O         -3.088504151       -0.7547914559        -2.206017669    
H         -2.762081357        0.1061887086        -1.892253703    
H         -2.370922553        -1.114021410        -2.756841521    
    63
Energy=    -106.840664565020    
O         0.3722597812        0.8065975419        -3.867481617    
H          1.023119963        0.7321979269        -3.138221776    
H        -0.1295869284         1.605750451        -3.685486791    
O        -0.6095267698         3.093207221         2.360737919    
H         -1.472625668         2.831535780         1.994612234    
H        -0.1678983568         2.244357867         2.574353326    
O         0.1775342265         3.031892080        -1.811916477    
H         0.9246868540         2.423729639        -1.867355119    
H         0.3601920978         3.564627061        -1.016076993    
O         0.9507071415         4.092975559        0.5555714238    
H         0.3383338239         3.717270608         1.258824689    
H          1.107831630         5.004347285        0.8005691670    
O         -3.188198652       -0.3639358439         2.097265916    
H         -2.472299154       -0.6957941624         2.682143388    
H         -3.253364224        -1.001492885         1.368077819    
O         -1.872635122         1.439236458        -1.122779256    
H         -1.232851886         2.119678365        -1.423315053    
H         -2.309287334         1.789451667       -0.3225186848    
O         -1.067876330        -1.256067510         3.500764520    
H        -0.4896684550       -0.4867492675         3.350592743    
H        -0.5662058632        -2.007961054         3.155177749    
O         0.6646498308        -3.109100900         2.278260488    
H          1.467349529        -2.630003686         1.941481822    
H         0.9823017213        -3.937922254         2.635892830    
O        -0.6684498850        -2.677680299       -0.1198217322E-01
H         -1.638126602        -2.633547916        0.7386993363E-01
H        -0.3004152666        -2.944480838        0.8517479626    
O          2.936966834        -1.785860666        -1.501977425    
H          2.123556501        -2.274608395        -1.815536146    
H          3.687487906        -2.256759201        -1.863275112    
O          1.898591619        0.6941713829        -1.623815548    
H          2.466642495       -0.9376063793E-01    -1.693168145    
H          1.188663647        0.4013550312       -0.9914267238    
O        -0.9376584655        -1.475897024        -3.784078445    
H         -1.118900532        -1.740018675        -4.686269852    
H        -0.4608180208       -0.6082754767        -3.837417392    
O         -3.317730263        -2.167394240       -0.1893972985E-01
H         -3.277236465        -1.626482477       -0.8575166706    
H         -4.089311298        -2.728026960       -0.9536978319E-01
O          3.265017219        0.6517821203         2.176529014    
H          3.992469915        0.8996703729         2.746007942    
H          3.246746241         1.314526363         1.432359089    
O         -2.924648589         2.082230011         1.270212289    
H         -3.773232102         2.485485029         1.452215611    
H         -2.991275828         1.143791781         1.618878243    
O          2.803125766        -1.933243874         1.282004770    
H          2.983788333        -1.039756978         1.617641480    
H          2.823770088        -1.868003848        0.3117314493    
O        -0.1154193950E-01   -0.9487294584E-01   -0.1203120762E-01
H        -0.7828881661        0.3870973085       -0.3886899355    
H        -0.2267636397        -1.053982350       -0.5218354629E-01
O         0.7747972727        -3.030261065        -2.278183873    
H         0.2107496503        -2.517061015        -2.882820487    
H         0.2625760590        -3.073047810        -1.451183326    
O          3.078261652         2.367230254        0.2083153443    
H          2.368689720         3.013433596        0.3780956818    
H          2.760696801         1.809996147       -0.5261654435    
O         0.5570403216        0.6839092641         2.503052857    
H          1.525731205        0.6572366185         2.559997649    
H         0.3446248807        0.3966828362         1.588899988    
O         -3.088479607       -0.7547990353        -2.206043960    
H         -2.762049145        0.1061812818        -1.892289678    
H         -2.370899066        -1.114028019        -2.756859488    
    63
Energy=    -106.840664583830    
O         0.3721715619        0.8065609281        -3.867348275    
H          1.023114570        0.7321865256        -3.138156196    
H        -0.1297624052         1.605633196        -3.685237060    
O        -0.6091910383         3.093049356         2.360846285    
H         -1.472352420         2.831470448         1.994795652    
H        -0.1676021994         2.244145061         2.574334993    
O         0.1774581377         3.031680546        -1.811885277    
H         0.9246566669         2.423577691        -1.867341480    
H         0.3601053601         3.564440345        -1.016061092    
O         0.9506355408         4.093009360        0.5554455134    
H         0.3384485719         3.717182486         1.258797490    
H          1.107663559         5.004388280        0.8004698933    
O         -3.188464440       -0.3639397290         2.097257533    
H         -2.472570052       -0.6957900748         2.682148043    
H         -3.253597211        -1.001474008         1.368047025    
O         -1.872774954         1.439159528        -1.122602785    
H         -1.232942747         2.119561318        -1.423128808    
H         -2.309340742         1.789366048       -0.3222880123    
O         -1.068143201        -1.255963327         3.500826842    
H        -0.4898903104       -0.4866932816         3.350634037    
H        -0.5665094193        -2.007882909         3.155231280    
O         0.6644468836        -3.108832375         2.278264014    
H          1.467175889        -2.629810137         1.941441420    
H         0.9820605236        -3.937584604         2.636062193    
O        -0.6685391906        -2.677760628       -0.1220430542E-01
H         -1.638210568        -2.633427904        0.7368143005E-01
H        -0.3005290598        -2.944498642        0.8515503824    
O          2.937099955        -1.785781986        -1.501864742    
H          2.123739663        -2.274535250        -1.815535352    
H          3.687682501        -2.256704169        -1.863004022    
O          1.898546762        0.6941753115        -1.623706196    
H          2.466665671       -0.9371480801E-01    -1.692950666    
H          1.188584213        0.4013327580       -0.9913675642    
O        -0.9375685457        -1.476014849        -3.784108629    
H         -1.119246055        -1.739778567        -4.686318985    
H        -0.4607487948       -0.6083704227        -3.837346748    
O         -3.317832145        -2.167287252       -0.1903103275E-01
H         -3.277390130        -1.626384432       -0.8576115880    
H         -4.089332647        -2.728040999       -0.9546101209E-01
O          3.265275064        0.6518698008         2.176350116    
H          3.992484547        0.9000288862         2.746028988    
H          3.246895991         1.314665087         1.432238973    
O         -2.924500225         2.082251361         1.270473310    
H         -3.773057049         2.485588477         1.452424617    
H         -2.991296790         1.143774555         1.619009810    
O          2.803018554        -1.933197897         1.282004904    
H          2.983983678        -1.039771749         1.617621511    
H          2.823776212        -1.868000588        0.3117251820    
O        -0.1160473789E-01   -0.9501036244E-01   -0.1206037093E-01
H        -0.7829877376        0.3870091083       -0.3885741035    
H        -0.2268058400        -1.054120169       -0.5235803943E-01
O         0.7750669384        -3.030290479        -2.278282162    
H         0.2110108732        -2.517187361        -2.882986064    
H         0.2627503659        -3.073170998        -1.451346350    
O          3.078387416         2.367447992        0.2081868928    
H          2.368835916         3.013677136        0.3779608173    
H          2.760788132         1.810203111       -0.5262669138    
O         0.5572460489        0.6836928303         2.502970839    
H          1.525950047        0.6570873595         2.559798835    
H         0.3447525809        0.3964219172         1.588851987    
O         -3.088432246       -0.7548399011        -2.206237448    
H         -2.761977130        0.1060915571        -1.892370176    
H         -2.370767262        -1.114110903        -2.756929870    
    63
Energy=    -106.840664585010    
O         0.3721725167        0.8065651454        -3.867349983    
H          1.023108924        0.7321867900        -3.138154209    
H        -0.1297709977         1.605633006        -3.685239707    
O        -0.6091912790         3.093045555         2.360843844    
H         -1.472350793         2.831465135         1.994795973    
H        -0.1675992346         2.244140530         2.574334560    
O         0.1774580328         3.031682211        -1.811884912    
H         0.9246536254         2.423576115        -1.867332987    
H         0.3601069993         3.564444077        -1.016062388    
O         0.9506432991         4.093007407        0.5554516143    
H         0.3384465693         3.717183508         1.258797526    
H          1.107655862         5.004392240        0.8004674035    
O         -3.188465013       -0.3639373893         2.097257102    
H         -2.472572515       -0.6957935936         2.682144507    
H         -3.253596064        -1.001471249         1.368046003    
O         -1.872771461         1.439158145        -1.122598398    
H         -1.232944055         2.119560470        -1.423129883    
H         -2.309342595         1.789368610       -0.3222891041    
O         -1.068143027        -1.255962008         3.500821276    
H        -0.4898874147       -0.4866908450         3.350638128    
H        -0.5665092697        -2.007883520         3.155232362    
O         0.6644410908        -3.108826500         2.278258816    
H          1.467168726        -2.629804346         1.941448880    
H         0.9820624851        -3.937584895         2.636067698    
O        -0.6685407248        -2.677766963       -0.1220860796E-01
H         -1.638209849        -2.633433468        0.7367764196E-01
H        -0.3005316898        -2.944495820        0.8515529943    
O          2.937101073        -1.785779816        -1.501863822    
H          2.123746071        -2.274534778        -1.815536571    
H          3.687683843        -2.256707255        -1.862997291    
O          1.898550960        0.6941790508        -1.623700361    
H          2.466663493       -0.9371181280E-01    -1.692957778    
H          1.188582561        0.4013300390       -0.9913708320    
O        -0.9375712448        -1.476013574        -3.784109620    
H         -1.119248859        -1.739779457        -4.686319124    
H        -0.4607468457       -0.6083732858        -3.837349558    
O         -3.317838468        -2.167286326       -0.1903045727E-01
H         -3.277387912        -1.626385053       -0.8576143967    
H         -4.089334862        -2.728034071       -0.9546616781E-01
O          3.265272601        0.6518743271         2.176349047    
H          3.992482397        0.9000298719         2.746025259    
H          3.246898258         1.314663795         1.432231715    
O         -2.924500042         2.082250543         1.270466799    
H         -3.773054410         2.485588704         1.452426720    
H         -2.991295511         1.143778050         1.619016394    
O          2.803025943        -1.933200927         1.282004208    
H          2.983980655        -1.039769567         1.617621249    
H          2.823772657        -1.867997145        0.3117258923    
O        -0.1160602070E-01   -0.9501350058E-01   -0.1205325070E-01
H        -0.7829857414        0.3870115786       -0.3885740575    
H        -0.2268047626        -1.054120476       -0.5235629069E-01
O         0.7750691688        -3.030297306        -2.278281821    
H         0.2110145440        -2.517190005        -2.882986402    
H         0.2627531281        -3.073174008        -1.451350029    
O          3.078384200         2.367447200        0.2081876127    
H          2.368837271         3.013681103        0.3779577606    
H          2.760789099         1.810200779       -0.5262676311    
O         0.5572473506        0.6836903097         2.502972730    
H          1.525952092        0.6570812936         2.559796198    
H         0.3447536309        0.3964176093         1.588853232    
O         -3.088427542       -0.7548414811        -2.206229294    
H         -2.761975315        0.1060937494        -1.892370352    
H         -2.370764507        -1.114108903        -2.756926379    
    63
Energy=    -106.840664588510    
O         0.3721878667        0.8065724727        -3.867341458    
H          1.023110203        0.7321790396        -3.138144275    
H        -0.1297448381         1.605660518        -3.685252835    
O        -0.6091488406         3.092996443         2.360855380    
H         -1.472308531         2.831422918         1.994822769    
H        -0.1675308854         2.244086591         2.574319637    
O         0.1774322469         3.031630614        -1.811866828    
H         0.9245967103         2.423481652        -1.867266058    
H         0.3600857089         3.564413013        -1.016058017    
O         0.9506629363         4.092999662        0.5554551032    
H         0.3384464476         3.717159874         1.258776114    
H          1.107572494         5.004422487        0.8004058325    
O         -3.188521917       -0.3639138795         2.097250263    
H         -2.472636183       -0.6958000922         2.682112384    
H         -3.253640835        -1.001424815         1.368011671    
O         -1.872804153         1.439133680        -1.122560223    
H         -1.232991835         2.119531604        -1.423127412    
H         -2.309379578         1.789352982       -0.3222520157    
O         -1.068185738        -1.255929909         3.500784667    
H        -0.4899068590       -0.4866778984         3.350636312    
H        -0.5665378013        -2.007862443         3.155227732    
O         0.6643956495        -3.108767131         2.278253401    
H          1.467123633        -2.629724271         1.941489255    
H         0.9820365291        -3.937493894         2.636107299    
O        -0.6685514347        -2.677814132       -0.1225916025E-01
H         -1.638227044        -2.633451766        0.7361288503E-01
H        -0.3005643072        -2.944470215        0.8515392849    
O          2.937150894        -1.785755097        -1.501875168    
H          2.123808147        -2.274512257        -1.815560895    
H          3.687743755        -2.256716955        -1.862926255    
O          1.898557942        0.6941935108        -1.623677188    
H          2.466685607       -0.9368354048E-01    -1.692969790    
H          1.188599039        0.4012987316       -0.9913594171    
O        -0.9375958372        -1.476011047        -3.784098283    
H         -1.119353632        -1.739750439        -4.686308460    
H        -0.4607497467       -0.6083938936        -3.837351040    
O         -3.317872568        -2.167269975       -0.1902822888E-01
H         -3.277405847        -1.626398447       -0.8576287206    
H         -4.089358599        -2.728022055       -0.9551322083E-01
O          3.265281518        0.6518886593         2.176323472    
H          3.992463461        0.9000735377         2.746030767    
H          3.246937243         1.314678218         1.432206063    
O         -2.924484681         2.082272301         1.270492868    
H         -3.773026147         2.485623674         1.452488872    
H         -2.991301265         1.143812324         1.619074150    
O          2.803063228        -1.933208445         1.281995431    
H          2.984006366        -1.039765844         1.617615067    
H          2.823769178        -1.867978681        0.3117228798    
O        -0.1159568493E-01   -0.9503257215E-01   -0.1204410118E-01
H        -0.7829689204        0.3870155651       -0.3885395142    
H        -0.2268005708        -1.054136157       -0.5236606222E-01
O         0.7751285220        -3.030329798        -2.278313467    
H         0.2110797443        -2.517226026        -2.883022484    
H         0.2628048169        -3.073202974        -1.451385942    
O          3.078411161         2.367476302        0.2081974382    
H          2.368872940         3.013729662        0.3779310537    
H          2.760831831         1.810211225       -0.5262474611    
O         0.5572944358        0.6836396330         2.502970962    
H          1.526000349        0.6570182962         2.559759469    
H         0.3447578463        0.3963639257         1.588854268    
O         -3.088434413       -0.7548412039        -2.206216963    
H         -2.761998202        0.1060997507        -1.892354414    
H         -2.370760453        -1.114115412        -2.756897912    
    63
Energy=    -106.840664587560    
O         0.3721744832        0.8065668938        -3.867328386    
H          1.023107015        0.7321757835        -3.138135596    
H        -0.1297534961         1.605653220        -3.685234779    
O        -0.6091277289         3.092981089         2.360865884    
H         -1.472293027         2.831411494         1.994831557    
H        -0.1675111626         2.244071389         2.574316101    
O         0.1774220892         3.031620983        -1.811860455    
H         0.9245853117         2.423469961        -1.867262838    
H         0.3600785874         3.564405294        -1.016053938    
O         0.9506636375         4.092998067        0.5554524480    
H         0.3384538485         3.717151064         1.258774197    
H          1.107555339         5.004425279        0.8003939043    
O         -3.188543017       -0.3639119682         2.097243781    
H         -2.472653788       -0.6957998448         2.682108787    
H         -3.253659555        -1.001415610         1.368004859    
O         -1.872814633         1.439128593        -1.122551947    
H         -1.233000069         2.119525934        -1.423121032    
H         -2.309383703         1.789345545       -0.3222411014    
O         -1.068203262        -1.255922885         3.500780079    
H        -0.4899193874       -0.4866723068         3.350632959    
H        -0.5665571723        -2.007851802         3.155227069    
O         0.6643829718        -3.108746814         2.278250001    
H          1.467113540        -2.629705750         1.941489970    
H         0.9820231684        -3.937467777         2.636118451    
O        -0.6685589102        -2.677818315       -0.1227337671E-01
H         -1.638233345        -2.633450509        0.7359650268E-01
H        -0.3005738273        -2.944463737        0.8515293385    
O          2.937162054        -1.785750325        -1.501873583    
H          2.123823390        -2.274509697        -1.815565349    
H          3.687764000        -2.256713411        -1.862909357    
O          1.898553255        0.6941954464        -1.623674855    
H          2.466692271       -0.9367633544E-01    -1.692965573    
H          1.188604615        0.4013006509       -0.9913491807    
O        -0.9375952734        -1.476022629        -3.784097953    
H         -1.119380728        -1.739743172        -4.686306970    
H        -0.4607509656       -0.6084017160        -3.837346753    
O         -3.317880036        -2.167265373       -0.1903420583E-01
H         -3.277409674        -1.626397824       -0.8576356546    
H         -4.089360588        -2.728024196       -0.9552451073E-01
O          3.265293983        0.6518947703         2.176313838    
H          3.992463380        0.9000902678         2.746031447    
H          3.246952551         1.314686836         1.432198316    
O         -2.924477511         2.082276639         1.270506982    
H         -3.773014989         2.485635729         1.452503317    
H         -2.991303621         1.143814424         1.619080855    
O          2.803065149        -1.933205632         1.281997414    
H          2.984017609        -1.039768028         1.617613823    
H          2.823769657        -1.867978306        0.3117214597    
O        -0.1159356364E-01   -0.9503520699E-01   -0.1204671012E-01
H        -0.7829699542        0.3870141558       -0.3885326922    
H        -0.2268020477        -1.054139153       -0.5237223065E-01
O         0.7751471387        -3.030338442        -2.278319848    
H         0.2110991705        -2.517240592        -2.883037026    
H         0.2628194836        -3.073209587        -1.451394760    
O          3.078423514         2.367489037        0.2081934912    
H          2.368883788         3.013739730        0.3779265293    
H          2.760839642         1.810219382       -0.5262473233    
O         0.5573065143        0.6836207504         2.502968138    
H          1.526017879        0.6570051366         2.559752531    
H         0.3447631703        0.3963497010         1.588856548    
O         -3.088434939       -0.7548372343        -2.206223322    
H         -2.761996043        0.1061001305        -1.892355607    
H         -2.370755084        -1.114121599        -2.756894184    
    63
Energy=    -106.840664595570    
O         0.3720965877        0.8065511987        -3.867266101    
H          1.023045004        0.7321562725        -3.138090916    
H        -0.1297986312         1.605655279        -3.685169993    
O        -0.6090320421         3.092878137         2.360877046    
H         -1.472214850         2.831293330         1.994887981    
H        -0.1673976168         2.243974078         2.574299412    
O         0.1773676940         3.031622420        -1.811840772    
H         0.9244985438         2.423425909        -1.867211582    
H         0.3600617815         3.564440126        -1.016062358    
O         0.9506609122         4.093002296        0.5554293509    
H         0.3385219842         3.717116263         1.258791035    
H          1.107416131         5.004468453        0.8003102237    
O         -3.188630059       -0.3638979054         2.097232337    
H         -2.472741092       -0.6957998783         2.682099366    
H         -3.253760674        -1.001375211         1.367971108    
O         -1.872837369         1.439117142        -1.122506833    
H         -1.233026926         2.119516470        -1.423083848    
H         -2.309375959         1.789327255       -0.3221786472    
O         -1.068280130        -1.255868047         3.500772978    
H        -0.4899668824       -0.4866365087         3.350631723    
H        -0.5666714699        -2.007799914         3.155170690    
O         0.6643242381        -3.108627788         2.278236573    
H          1.467069434        -2.629610892         1.941471497    
H         0.9819538115        -3.937315469         2.636199643    
O        -0.6686105706        -2.677848799       -0.1235828000E-01
H         -1.638287853        -2.633535585        0.7350140855E-01
H        -0.3006328927        -2.944441388        0.8514589679    
O          2.937224394        -1.785762634        -1.501851521    
H          2.123926529        -2.274564107        -1.815578104    
H          3.687871089        -2.256711475        -1.862821170    
O          1.898574928        0.6942150171        -1.623662631    
H          2.466731099       -0.9363538365E-01    -1.693009213    
H          1.188680064        0.4013081923       -0.9912823463    
O        -0.9375834565        -1.476062513        -3.784094820    
H         -1.119490111        -1.739726114        -4.686291540    
H        -0.4607691881       -0.6084248165        -3.837358169    
O         -3.317902712        -2.167274566       -0.1907303624E-01
H         -3.277364369        -1.626393785       -0.8576696309    
H         -4.089404185        -2.728003244       -0.9558550750E-01
O          3.265351916        0.6519396155         2.176235903    
H          3.992461208        0.9001699506         2.746010416    
H          3.247013618         1.314745806         1.432127586    
O         -2.924462880         2.082302856         1.270580631    
H         -3.772970979         2.485719471         1.452588900    
H         -2.991334549         1.143830562         1.619121139    
O          2.803055975        -1.933184517         1.282047014    
H          2.984061370        -1.039753733         1.617643243    
H          2.823792439        -1.867994636        0.3117691989    
O        -0.1160142774E-01   -0.9506328668E-01   -0.1206009939E-01
H        -0.7829819551        0.3869881418       -0.3885393700    
H        -0.2268326682        -1.054161140       -0.5239153518E-01
O         0.7752414530        -3.030375462        -2.278362160    
H         0.2111843918        -2.517318144        -2.883102436    
H         0.2628913389        -3.073261790        -1.451454326    
O          3.078463352         2.367525032        0.2081405344    
H          2.368922708         3.013758283        0.3779228941    
H          2.760830999         1.810240895       -0.5262695637    
O         0.5573688788        0.6835195845         2.502982931    
H          1.526080272        0.6569274421         2.559740589    
H         0.3448076922        0.3962519988         1.588876676    
O         -3.088409085       -0.7548081483        -2.206218883    
H         -2.761964711        0.1061247133        -1.892337962    
H         -2.370703441        -1.114117707        -2.756836156    
    63
Energy=    -106.840664596180    
O         0.3721007306        0.8065585891        -3.867270947    
H          1.023044289        0.7321560275        -3.138091468    
H        -0.1297953872         1.605663810        -3.685178715    
O        -0.6090317161         3.092876079         2.360869318    
H         -1.472216495         2.831291253         1.994887313    
H        -0.1673976733         2.243971473         2.574301760    
O         0.1773689334         3.031624155        -1.811840771    
H         0.9244948873         2.423427386        -1.867208441    
H         0.3600618608         3.564440529        -1.016062032    
O         0.9506574354         4.093004253        0.5554293160    
H         0.3385217011         3.717115203         1.258792297    
H          1.107410041         5.004472156        0.8003063205    
O         -3.188630056       -0.3638957842         2.097232018    
H         -2.472742076       -0.6957987765         2.682096402    
H         -3.253757498        -1.001375250         1.367971898    
O         -1.872832866         1.439117986        -1.122503538    
H         -1.233027838         2.119520785        -1.423084327    
H         -2.309377492         1.789330059       -0.3221791310    
O         -1.068281159        -1.255869305         3.500772025    
H        -0.4899673308       -0.4866374237         3.350634209    
H        -0.5666702359        -2.007800465         3.155167127    
O         0.6643251230        -3.108624529         2.278238629    
H          1.467070652        -2.629611720         1.941470892    
H         0.9819541060        -3.937312095         2.636201206    
O        -0.6686091695        -2.677848532       -0.1235834834E-01
H         -1.638287408        -2.633540542        0.7349910345E-01
H        -0.3006323807        -2.944446165        0.8514585160    
O          2.937226225        -1.785763467        -1.501851623    
H          2.123929172        -2.274564721        -1.815578650    
H          3.687871025        -2.256715533        -1.862816935    
O          1.898580184        0.6942153312        -1.623658699    
H          2.466731369       -0.9363768202E-01    -1.693014431    
H          1.188680320        0.4013015349       -0.9912873961    
O        -0.9375839668        -1.476063149        -3.784092288    
H         -1.119493253        -1.739728431        -4.686289668    
H        -0.4607724492       -0.6084246571        -3.837356222    
O         -3.317899444        -2.167280213       -0.1907422992E-01
H         -3.277368000        -1.626392879       -0.8576649280    
H         -4.089407558        -2.727997749       -0.9558709557E-01
O          3.265351452        0.6519355901         2.176235134    
H          3.992460439        0.9001676130         2.746010967    
H          3.247009503         1.314744124         1.432130183    
O         -2.924464408         2.082304957         1.270580139    
H         -3.772972543         2.485720539         1.452591860    
H         -2.991339647         1.143833381         1.619121385    
O          2.803054970        -1.933184259         1.282046979    
H          2.984063090        -1.039751188         1.617642894    
H          2.823795442        -1.867993906        0.3117703571    
O        -0.1160247291E-01   -0.9506584275E-01   -0.1205381837E-01
H        -0.7829779942        0.3869887495       -0.3885396795    
H        -0.2268329771        -1.054162960       -0.5239294117E-01
O         0.7752424353        -3.030376672        -2.278362163    
H         0.2111838368        -2.517317994        -2.883101877    
H         0.2628916660        -3.073262253        -1.451454519    
O          3.078463323         2.367523986        0.2081395637    
H          2.368923784         3.013758397        0.3779231898    
H          2.760831138         1.810239836       -0.5262724168    
O         0.5573699082        0.6835215434         2.502983393    
H          1.526080946        0.6569265013         2.559740394    
H         0.3448094418        0.3962495221         1.588876223    
O         -3.088407489       -0.7548100926        -2.206214833    
H         -2.761968580        0.1061241613        -1.892333641    
H         -2.370700761        -1.114113671        -2.756835756    
    63
Energy=    -106.840664598520    
O         0.3720918934        0.8065716371        -3.867269571    
H          1.023029909        0.7321540297        -3.138081076    
H        -0.1297915699         1.605683563        -3.685172804    
O        -0.6090042722         3.092847132         2.360860364    
H         -1.472197452         2.831267047         1.994891430    
H        -0.1673760121         2.243942264         2.574306484    
O         0.1773541641         3.031638762        -1.811839937    
H         0.9244713213         2.423437348        -1.867206493    
H         0.3600468749         3.564450170        -1.016058412    
O         0.9506483990         4.093010696        0.5554231435    
H         0.3385240680         3.717103426         1.258790059    
H          1.107367052         5.004489531        0.8002804990    
O         -3.188656408       -0.3638936303         2.097229853    
H         -2.472759668       -0.6957861771         2.682088104    
H         -3.253767838        -1.001382401         1.367974127    
O         -1.872828886         1.439129022        -1.122486674    
H         -1.233029993         2.119537449        -1.423071888    
H         -2.309371439         1.789340014       -0.3221614895    
O         -1.068309528        -1.255861646         3.500767683    
H        -0.4899906829       -0.4866348604         3.350641047    
H        -0.5667019584        -2.007786606         3.155138411    
O         0.6643102829        -3.108597256         2.278225702    
H          1.467064623        -2.629597933         1.941459115    
H         0.9819332191        -3.937268695         2.636225230    
O        -0.6686131188        -2.677856467       -0.1237653169E-01
H         -1.638287177        -2.633563005        0.7347634943E-01
H        -0.3006340635        -2.944462670        0.8514421470    
O          2.937246962        -1.785776391        -1.501839268    
H          2.123951266        -2.274574994        -1.815574409    
H          3.687896063        -2.256722105        -1.862805188    
O          1.898589920        0.6942020089        -1.623654125    
H          2.466745250       -0.9364877455E-01    -1.693019793    
H          1.188693363        0.4012768462       -0.9912843500    
O        -0.9375851731        -1.476080998        -3.784083927    
H         -1.119511685        -1.739740459        -4.686281361    
H        -0.4607919586       -0.6084327020        -3.837341762    
O         -3.317890828        -2.167299009       -0.1908026258E-01
H         -3.277374963        -1.626388734       -0.8576569223    
H         -4.089422028        -2.727985236       -0.9560360363E-01
O          3.265363720        0.6519367221         2.176227400    
H          3.992466845        0.9001776456         2.746005783    
H          3.247010572         1.314746551         1.432125884    
O         -2.924464588         2.082314085         1.270600015    
H         -3.772963991         2.485744717         1.452619783    
H         -2.991370283         1.143838491         1.619119586    
O          2.803060040        -1.933175585         1.282060497    
H          2.984075285        -1.039739590         1.617648822    
H          2.823814988        -1.867995058        0.3117884189    
O        -0.1159975594E-01   -0.9507824513E-01   -0.1205214548E-01
H        -0.7829642754        0.3869871142       -0.3885469921    
H        -0.2268373184        -1.054173700       -0.5240967921E-01
O         0.7752531086        -3.030390501        -2.278376636    
H         0.2111985472        -2.517323515        -2.883110951    
H         0.2629048401        -3.073265282        -1.451465201    
O          3.078467931         2.367529413        0.2081258998    
H          2.368925856         3.013759020        0.3779196864    
H          2.760831611         1.810248358       -0.5262905208    
O         0.5573862520        0.6835067262         2.502977377    
H          1.526102427        0.6569133385         2.559744302    
H         0.3448275871        0.3962273990         1.588874488    
O         -3.088392160       -0.7548049916        -2.206204316    
H         -2.761970624        0.1061308291        -1.892313888    
H         -2.370683440        -1.114096534        -2.756828031    
    63
Energy=    -106.840664599020    
O         0.3720845449        0.8065753123        -3.867263012    
H          1.023021047        0.7321546078        -3.138078188    
H        -0.1297943624         1.605689333        -3.685161647    
O        -0.6089836191         3.092825992         2.360860172    
H         -1.472177785         2.831250942         1.994896214    
H        -0.1673572127         2.243920110         2.574306374    
O         0.1773396854         3.031644838        -1.811836936    
H         0.9244568088         2.423436257        -1.867201579    
H         0.3600344873         3.564454641        -1.016054572    
O         0.9506468390         4.093012923        0.5554193991    
H         0.3385296665         3.717096057         1.258786875    
H          1.107340584         5.004499960        0.8002648519    
O         -3.188673510       -0.3638958238         2.097224722    
H         -2.472771074       -0.6957770970         2.682085189    
H         -3.253774729        -1.001384438         1.367974511    
O         -1.872830616         1.439132198        -1.122475093    
H         -1.233034502         2.119540808        -1.423060397    
H         -2.309368928         1.789341547       -0.3221458990    
O         -1.068330563        -1.255857000         3.500767905    
H        -0.4900050168       -0.4866291295         3.350646298    
H        -0.5667287481        -2.007774988         3.155123092    
O         0.6642954937        -3.108579673         2.278214399    
H          1.467053905        -2.629583576         1.941450285    
H         0.9819165692        -3.937239287         2.636243236    
O        -0.6686111840        -2.677868913       -0.1238924943E-01
H         -1.638291927        -2.633575350        0.7345944050E-01
H        -0.3006393471        -2.944470889        0.8514260391    
O          2.937259027        -1.785782137        -1.501830611    
H          2.123966155        -2.274580482        -1.815571727    
H          3.687912316        -2.256723674        -1.862791490    
O          1.898592779        0.6941938011        -1.623654072    
H          2.466753842       -0.9364964384E-01    -1.693019950    
H          1.188700324        0.4012669219       -0.9912787685    
O        -0.9375841226        -1.476090856        -3.784079127    
H         -1.119522684        -1.739744843        -4.686274880    
H        -0.4607990220       -0.6084383655        -3.837334169    
O         -3.317891178        -2.167304830       -0.1908638692E-01
H         -3.277374838        -1.626387762       -0.8576565783    
H         -4.089431850        -2.727975560       -0.9561180301E-01
O          3.265374378        0.6519427469         2.176220351    
H          3.992472547        0.9001914076         2.746001884    
H          3.247017276         1.314752744         1.432117654    
O         -2.924464130         2.082320561         1.270615007    
H         -3.772954474         2.485762545         1.452640185    
H         -2.991386431         1.143839907         1.619121619    
O          2.803058813        -1.933166398         1.282072740    
H          2.984078791        -1.039731587         1.617651819    
H          2.823820699        -1.867992158        0.3117938874    
O        -0.1159688935E-01   -0.9508968549E-01   -0.1205812629E-01
H        -0.7829590823        0.3869828204       -0.3885511860    
H        -0.2268393356        -1.054182777       -0.5242118104E-01
O         0.7752638725        -3.030400228        -2.278384713    
H         0.2112114809        -2.517328371        -2.883117274    
H         0.2629141995        -3.073269639        -1.451474661    
O          3.078472030         2.367535066        0.2081153566    
H          2.368930801         3.013763107        0.3779166704    
H          2.760834565         1.810258289       -0.5263014867    
O         0.5574021474        0.6834916824         2.502975173    
H          1.526115827        0.6569029112         2.559744186    
H         0.3448407948        0.3962092173         1.588872318    
O         -3.088385999       -0.7548012162        -2.206202608    
H         -2.761969526        0.1061350271        -1.892305679    
H         -2.370668505        -1.114090303        -2.756825325    
    63
Energy=    -106.840664601240    
O         0.3608200026        0.9448205659        -3.611256913    
H          1.080723249        0.8191040180        -2.950744263    
H        -0.2240552307         1.605190344        -3.225557627    
O        -0.6088746483         3.060069947         2.301456284    
H         -1.478689357         2.784613367         1.962861712    
H        -0.1632262798         2.220910325         2.546630979    
O        -0.1220964005         3.373895540        -1.965130265    
H         0.6070837274         3.482901062        -2.582558130    
H         0.2451544850         3.593901816        -1.081836068    
O         0.9372500553         3.957627689        0.4399876157    
H         0.3284224953         3.604512153         1.160981866    
H          1.092692477         4.876351893        0.6595383794    
O         -3.217021889       -0.4067524396         2.114570103    
H         -2.486040732       -0.7277394096         2.688114758    
H         -3.276141334        -1.035964914         1.377653854    
O         -1.900060901         1.468242324        -1.115456360    
H         -1.391288131         2.228621929        -1.440121756    
H         -2.346579322         1.759169532       -0.2941977282    
O         -1.070041240        -1.254527848         3.494121237    
H        -0.4855167817       -0.4907333062         3.339731987    
H        -0.5709017404        -2.013470158         3.160100628    
O         0.6427867485        -3.129276615         2.292396906    
H          1.461937321        -2.660127437         1.978748472    
H         0.9362721582        -3.974292347         2.632289784    
O        -0.6699044116        -2.623095833        0.5432685057E-02
H         -1.640259654        -2.595798793        0.8565307851E-01
H        -0.3026866846        -2.903876633        0.8653317647    
O          2.960190876        -1.985924316        -1.431037535    
H          2.127734490        -2.430490439        -1.760291056    
H          3.692256623        -2.484229209        -1.793214205    
O          2.053927351        0.5589637060        -1.583698746    
H          2.548050828       -0.2775409536        -1.629209213    
H          1.312159865        0.3611208095       -0.9594676148    
O        -0.8281019458        -1.390455691        -3.739097380    
H        -0.9790696571        -1.584619529        -4.664209668    
H        -0.3722803011       -0.5062138193        -3.710426842    
O         -3.329667833        -2.170121213       -0.3598024847E-01
H         -3.269441603        -1.631930580       -0.8746227583    
H         -4.087485131        -2.745413568       -0.1372289237    
O          3.277575479        0.6296855267         2.142699211    
H          4.020171994        0.8618643719         2.699069494    
H          3.274872265         1.281090314         1.385575665    
O         -2.952319301         2.029875936         1.283725599    
H         -3.798411830         2.437744448         1.467045866    
H         -3.021405609         1.091170000         1.636680904    
O          2.816254875        -1.988282239         1.348068485    
H          2.986827852        -1.077037051         1.639598914    
H          2.849878386        -1.973483330        0.3757588289    
O         0.1594588472E-01   -0.4522832453E-01   -0.1724580591E-01
H        -0.7349508495        0.4494015046       -0.4101803221    
H        -0.2200014818       -0.9994561618       -0.5200723963E-01
O         0.7444594194        -3.098292377        -2.252928525    
H         0.2357862393        -2.530615187        -2.858262840    
H         0.2249692860        -3.093347774        -1.428767256    
O          3.150542688         2.321403389        0.1538208067    
H          2.404385670         2.927964945        0.3036621930    
H          2.861491980         1.737360620       -0.5758009201    
O         0.5770469608        0.6742535544         2.508787563    
H          1.546446872        0.6523298233         2.560026834    
H         0.3660682790        0.4051657554         1.587876416    
O         -3.045381621       -0.7623873579        -2.222072487    
H         -2.748840318        0.1051913730        -1.899118120    
H         -2.302933563        -1.103036127        -2.752762576    
