    18
Energy=    -45.0220092398036    
O          1.677288711       -0.3651441466         1.787959727    
O          1.248040166         1.757378519        0.7138403602E-02
O          1.734274127       -0.8602826039        -1.120558836    
O         -1.468997096         1.401840554       -0.1292426063    
O         -1.065357953        -1.117291698        -1.284203980    
O         -1.139128975       -0.8680441205         1.645807356    
H         0.7434508943       -0.6085175810         1.957371156    
H          1.865898957       -0.7202980665        0.9016962037    
H          1.570993994         1.117094259       -0.6549148824    
H          1.457276326         1.307442755        0.8580818293    
H          2.230522771        -1.414325582        -1.728791320    
H         0.7826063845        -1.070441369        -1.265613866    
H         -1.981008742         2.216235478       -0.1345273618    
H        -0.5094606187         1.670671862       -0.8240922221E-01
H         -1.326373140       -0.2094466015       -0.9884938895    
H         -1.775807352        -1.431982909        -1.851539689    
H         -1.401792269        0.1939639604E-01     1.340118520    
H         -1.146418989        -1.397781331        0.8329832260    
    18
Energy=    -45.0206538603096    
O          1.674345812       -0.3582821532         1.787000768    
O          1.246747216         1.758789054        0.6367479977E-03
O          1.736895722       -0.8648373200        -1.119914813    
O         -1.471077659         1.402904542       -0.1231955035    
O         -1.062215584        -1.112068424        -1.286760652    
O         -1.139625715       -0.8746067795         1.643842757    
H         0.7419471123       -0.6069170086         1.956809721    
H          1.865793919       -0.7157555079        0.9022963981    
H          1.572057655         1.120971315       -0.6623826998    
H          1.455830511         1.307897999        0.8512240994    
H          2.229669537        -1.432073324        -1.718894878    
H         0.7838263652        -1.069250366        -1.264424573    
H         -1.981504476         2.218459618       -0.1223086650    
H        -0.5109268412         1.670061636       -0.7907756792E-01
H         -1.325964507       -0.2054393481       -0.9898851716    
H         -1.771492993        -1.428147323        -1.855047503    
H         -1.405114414        0.1377169003E-01     1.343484789    
H         -1.143184464        -1.398974485        0.8274575132    
    18
Energy=    -45.0180765865568    
O          1.670585431       -0.3549445610         1.782778976    
O          1.245448510         1.758481115       -0.6762114904E-02
O          1.742724796       -0.8679819041        -1.120514570    
O         -1.472205436         1.401918347       -0.1131101730    
O         -1.058447223        -1.105117650        -1.284679443    
O         -1.143837985       -0.8812896178         1.645717980    
H         0.7382315991       -0.6035791548         1.952552678    
H          1.863477217       -0.7152977104        0.8993208596    
H          1.570992518         1.120441413       -0.6693276344    
H          1.456429913         1.308247420        0.8438570365    
H          2.236890971        -1.440961096        -1.712424636    
H         0.7900526925        -1.072133924        -1.266508781    
H         -1.985176567         2.215428628       -0.1238689174    
H        -0.5127180236         1.671883993       -0.7679701412E-01
H         -1.319123784       -0.1994182819       -0.9816335862    
H         -1.769384850        -1.415098898        -1.853832584    
H         -1.410972618        0.7917305895E-02     1.349146156    
H         -1.146959965        -1.401991608        0.8269465346    
    18
Energy=    -45.0156833279840    
O          1.667590922       -0.3490277154         1.781202322    
O          1.248352846         1.761302485       -0.1421417437E-01
O          1.742730671       -0.8700733286        -1.118964500    
O         -1.471837433         1.400260452       -0.1071953823    
O         -1.059820184        -1.106154371        -1.287889769    
O         -1.143619050       -0.8837798892         1.646282835    
H         0.7364413419       -0.6007094011         1.953088761    
H          1.859959028       -0.7112339304        0.8985758833    
H          1.575520439         1.121586157       -0.6744508687    
H          1.456249494         1.313723087        0.8383435102    
H          2.237656389        -1.451768030        -1.702152756    
H         0.7896627448        -1.071841408        -1.267340411    
H         -1.986921588         2.212889695       -0.1125090018    
H        -0.5126110100         1.672632815       -0.7388337640E-01
H         -1.317346813       -0.2024632760       -0.9773582976    
H         -1.767907743        -1.403555853        -1.867420572    
H         -1.408905282        0.4617913484E-02     1.345500143    
H         -1.149187578        -1.409901588        0.8312464219    
    18
Energy=    -45.0142411708368    
O          1.665679409       -0.3499466754         1.779016155    
O          1.246857723         1.760936450       -0.1648084906E-01
O          1.743961672       -0.8699093187        -1.119607169    
O         -1.471996544         1.401873812       -0.1066041253    
O         -1.057639432        -1.105436975        -1.286212302    
O         -1.144640342       -0.8836107069         1.647614842    
H         0.7354114277       -0.6036121859         1.952932781    
H          1.856799362       -0.7104883243        0.8953420603    
H          1.573899718         1.121828961       -0.6773756440    
H          1.454233253         1.312293605        0.8356281600    
H          2.241175357        -1.452079223        -1.700042524    
H         0.7917126193        -1.075335281        -1.267308298    
H         -1.987414054         2.214074078       -0.1113508395    
H        -0.5131035634         1.674725891       -0.7144731283E-01
H         -1.315614266       -0.2024197067       -0.9739220145    
H         -1.763988160        -1.401160512        -1.868429474    
H         -1.408190049        0.5082943064E-02     1.346161857    
H         -1.151136933        -1.410313016        0.8329454642    
    18
Energy=    -45.0131090638983    
O          1.664529921       -0.3500363197         1.777542616    
O          1.245902379         1.761238780       -0.1777670300E-01
O          1.744098651       -0.8700437239        -1.119225662    
O         -1.471482484         1.402560331       -0.1050292233    
O         -1.056792136        -1.105164249        -1.284777792    
O         -1.145935711       -0.8836276141         1.648707373    
H         0.7350676375       -0.6058613305         1.952690834    
H          1.854946841       -0.7089567084        0.8928605201    
H          1.572219090         1.122501904       -0.6791989119    
H          1.453623799         1.311416466        0.8337499663    
H          2.243071722        -1.452610642        -1.697783133    
H         0.7924646829        -1.077813185        -1.266814958    
H         -1.987450777         2.214357475       -0.1091559442    
H        -0.5128885434         1.675831837       -0.7166078281E-01
H         -1.314758703       -0.2018781402       -0.9729059111    
H         -1.760840506        -1.399673063        -1.870634585    
H         -1.407223326        0.5328401981E-02     1.345831725    
H         -1.152545339        -1.411066404        0.8344413409    
    18
Energy=    -45.0116706271440    
O          1.663455280       -0.3485657997         1.776744169    
O          1.245925045         1.762437413       -0.1891735139E-01
O          1.743476062       -0.8700135472        -1.119786811    
O         -1.470575767         1.402149845       -0.1030130688    
O         -1.057304974        -1.106050424        -1.283951016    
O         -1.146946472       -0.8833441629         1.649785709    
H         0.7348417432       -0.6063093938         1.953681757    
H          1.853041597       -0.7066391328        0.8914067898    
H          1.571623919         1.124225975       -0.6811212084    
H          1.453714873         1.311266115        0.8321224183    
H          2.243067855        -1.455791389        -1.694174708    
H         0.7920371983        -1.079156001        -1.266729930    
H         -1.987111828         2.213508872       -0.1027751404    
H        -0.5120896074         1.675924642       -0.7310642393E-01
H         -1.315017505       -0.2022726234       -0.9734197250    
H         -1.756657907        -1.397522501        -1.876616502    
H         -1.405405778        0.5599041786E-02     1.343758441    
H         -1.154066538        -1.412943117        0.8369733679    
    18
Energy=    -45.0088582654658    
O          1.663526774       -0.3451663062         1.776716305    
O          1.248699651         1.765199573       -0.1998024538E-01
O          1.741098879       -0.8706217777        -1.118080089    
O         -1.469367904         1.399933173       -0.1002439984    
O         -1.059397560        -1.107249404        -1.284522010    
O         -1.148235058       -0.8843110182         1.649879953    
H         0.7362951358       -0.6055310524         1.956241862    
H          1.851371362       -0.7025814713        0.8908159195    
H          1.570970937         1.125732538       -0.6831031910    
H          1.454713390         1.312837163        0.8310462574    
H          2.241467906        -1.459904779        -1.688932644    
H         0.7894375027        -1.079657876        -1.266155439    
H         -1.986430745         2.211904538       -0.9422065182E-01
H        -0.5104321511         1.674977050       -0.7626932785E-01
H         -1.316538116       -0.2028365741       -0.9762740939    
H         -1.753844941        -1.394578744        -1.885384326    
H         -1.402114858        0.4927842341E-02     1.340270414    
H         -1.155213009        -1.416569059        0.8390560732    
    18
Energy=    -45.0067479565970    
O          1.662969280       -0.3439809113         1.773836451    
O          1.249334806         1.766507956       -0.2072034728E-01
O          1.740404681       -0.8706482707        -1.116763851    
O         -1.468321090         1.398954110       -0.1012870600    
O         -1.059513704        -1.109079123        -1.285174276    
O         -1.148818777       -0.8839237572         1.651978325    
H         0.7351116064       -0.6021403487         1.953863437    
H          1.849244255       -0.7016089885        0.8880211783    
H          1.570360120         1.128536722       -0.6852905199    
H          1.455819248         1.314239893        0.8296724343    
H          2.240200700        -1.464607772        -1.683595696    
H         0.7882315062        -1.078933261        -1.263395114    
H         -1.985540298         2.209801776       -0.8221851425E-01
H        -0.5093426362         1.673675498       -0.7784277557E-01
H         -1.317173356       -0.2041807847       -0.9787559222    
H         -1.747668380        -1.392534095        -1.895064793    
H         -1.399237587        0.5236686087E-02     1.340534998    
H         -1.160053179        -1.418811515        0.8430628155    
    18
Energy=    -45.0041466252491    
O          1.662948560       -0.3440822353         1.771661871    
O          1.249092828         1.767493277       -0.2136222496E-01
O          1.740227835       -0.8707497689        -1.115491759    
O         -1.467553439         1.397866423       -0.1028755239    
O         -1.058709235        -1.109586160        -1.285945064    
O         -1.148901494       -0.8837335015         1.653439732    
H         0.7345284473       -0.5993534808         1.952097070    
H          1.847056460       -0.7016188553        0.8852817005    
H          1.569639211         1.130108189       -0.6867892999    
H          1.456445625         1.314722315        0.8285639793    
H          2.239713005        -1.467172201        -1.680147467    
H         0.7878887070        -1.078558176        -1.261640108    
H         -1.984887610         2.208573611       -0.7440438787E-01
H        -0.5086114125         1.673576389       -0.7858183832E-01
H         -1.317754423       -0.2052165123       -0.9795788533    
H         -1.742793569        -1.391687096        -1.900931925    
H         -1.397831243        0.5727344204E-02     1.342129341    
H         -1.164491058        -1.419805747        0.8454355242    
    18
Energy=    -45.0020397080385    
O          1.662593047       -0.3447080170         1.770093975    
O          1.247777289         1.767635246       -0.2171261978E-01
O          1.740465226       -0.8705946191        -1.115258921    
O         -1.466756028         1.397724574       -0.1045042347    
O         -1.057741209        -1.109841003        -1.286383223    
O         -1.148444498       -0.8833294052         1.654764395    
H         0.7333637357       -0.5971194964         1.950133242    
H          1.845698256       -0.7021919317        0.8833206752    
H          1.569282976         1.131383216       -0.6876523903    
H          1.456781058         1.314672393        0.8277768692    
H          2.239420040        -1.468843118        -1.678150026    
H         0.7881382176        -1.078319361        -1.260521136    
H         -1.984489873         2.207762221       -0.6939000942E-01
H        -0.5080160607         1.673689274       -0.7852526664E-01
H         -1.318059006       -0.2059863945       -0.9795569741    
H         -1.739178031        -1.391499560        -1.904378506    
H         -1.397117384        0.6184327527E-02     1.343541027    
H         -1.167710558        -1.420114532        0.8472638930    
    18
Energy=    -45.0005664268861    
O          1.662195928       -0.3455609808         1.769007479    
O          1.246530568         1.767531870       -0.2192011147E-01
O          1.741059465       -0.8704646788        -1.115532586    
O         -1.466402891         1.397833477       -0.1053327661    
O         -1.056738529        -1.109870830        -1.286189839    
O         -1.148321190       -0.8826927755         1.655805424    
H         0.7325191860       -0.5964515037         1.948638757    
H          1.845026460       -0.7029780902        0.8818509797    
H          1.569170358         1.132118516       -0.6879786505    
H          1.456844310         1.314203419        0.8272327873    
H          2.239662502        -1.469451216        -1.677559518    
H         0.7888607333        -1.078301237        -1.260019124    
H         -1.984586702         2.207548886       -0.6714692103E-01
H        -0.5079131456         1.673950026       -0.7846111939E-01
H         -1.317928178       -0.2063230162       -0.9790585984    
H         -1.736807046        -1.391752854        -1.905607804    
H         -1.397474829        0.6810648610E-02     1.344771501    
H         -1.169689803        -1.419645845        0.8483608774    
    18
Energy=    -44.9984139091578    
O          1.661426969       -0.3451548190         1.768311619    
O          1.246489079         1.768462394       -0.2250236696E-01
O          1.741218576       -0.8702938462        -1.116696141    
O         -1.466032243         1.397117730       -0.1058506730    
O         -1.056798653        -1.110721906        -1.286657083    
O         -1.147860057       -0.8811497337         1.656939238    
H         0.7315639548       -0.5958709129         1.947033227    
H          1.845424643       -0.7032766202        0.8810985685    
H          1.570890100         1.133595252       -0.6877522557    
H          1.457352960         1.314720241        0.8266589276    
H          2.238304687        -1.471905214        -1.676029277    
H         0.7890198217        -1.077554051        -1.259192373    
H         -1.984699603         2.206293436       -0.6192230018E-01
H        -0.5078445978         1.673397301       -0.7888230482E-01
H         -1.318432382       -0.2073798626       -0.9794265914    
H         -1.734111035        -1.391636418        -1.909536017    
H         -1.398477986        0.7551788085E-02     1.344559448    
H         -1.171427038        -1.419690943        0.8507071219    
    18
Energy=    -44.9958322602340    
O          1.662548009       -0.3420932643         1.767552289    
O          1.247880762         1.770249607       -0.2344191999E-01
O          1.740371701       -0.8702367751        -1.116292782    
O         -1.465748868         1.395559877       -0.1069204092    
O         -1.057522670        -1.112394145        -1.289197399    
O         -1.149280309       -0.8806316672         1.657804490    
H         0.7335095843       -0.5946830822         1.949949400    
H          1.844842226       -0.7025842123        0.8810818305    
H          1.574846263         1.134638340       -0.6874242048    
H          1.459791191         1.316867832        0.8257851765    
H          2.235810052        -1.476067900        -1.673181780    
H         0.7872638519        -1.075630935        -1.260009433    
H         -1.985293516         2.203408246       -0.5281444314E-01
H        -0.5081024413         1.671830466       -0.8034526585E-01
H         -1.320543874       -0.2095622571       -0.9802469796    
H         -1.730918706        -1.390749190        -1.917103921    
H         -1.399152409        0.8241002169E-02     1.343796912    
H         -1.174293649        -1.419658129        0.8518692074    
    18
Energy=    -44.9916145599838    
O          1.662364298       -0.3389682070         1.767146810    
O          1.250782721         1.772476101       -0.2441090376E-01
O          1.739887852       -0.8697432181        -1.118166606    
O         -1.466476880         1.393518683       -0.1068978736    
O         -1.059168908        -1.114817814        -1.290669155    
O         -1.149902413       -0.8781898421         1.658610726    
H         0.7346158647       -0.5949163413         1.951466308    
H          1.845549318       -0.7022927103        0.8819482245    
H          1.579826528         1.136317392       -0.6867077834    
H          1.461484122         1.319203450        0.8253127757    
H          2.232771811        -1.481073748        -1.671021805    
H         0.7862597627        -1.073468234        -1.259965566    
H         -1.986006159         2.200664717       -0.4361949598E-01
H        -0.5089707029         1.669640322       -0.8189467073E-01
H         -1.321845039       -0.2117775179       -0.9820006086    
H         -1.728154850        -1.389808814        -1.924725981    
H         -1.401341282        0.9374017972E-02     1.341966780    
H         -1.175668847        -1.419634422        0.8544895919    
    18
Energy=    -44.9888082059803    
O          1.662294291       -0.3367311023         1.766927502    
O          1.253433348         1.773912609       -0.2481860052E-01
O          1.739270869       -0.8696007749        -1.118643089    
O         -1.467113479         1.392239085       -0.1068162334    
O         -1.060397124        -1.116226051        -1.291663126    
O         -1.150193906       -0.8771113596         1.658686216    
H         0.7354333009       -0.5950947658         1.952391118    
H          1.846226858       -0.7018564736        0.8827761210    
H          1.582304076         1.136999547       -0.6864366085    
H          1.462345481         1.320857969        0.8253486501    
H          2.230959151        -1.483735676        -1.669667899    
H         0.7852871455        -1.072163255        -1.259676946    
H         -1.986344607         2.199261805       -0.3879973146E-01
H        -0.5093960317         1.668107152       -0.8276345328E-01
H         -1.322632084       -0.2129719449       -0.9834751077    
H         -1.727380782        -1.388960620        -1.928896993    
H         -1.402111232        0.9679882975E-02     1.340643951    
H         -1.175978078        -1.420102212        0.8557449971    
    18
Energy=    -44.9848420725873    
O          1.662444283       -0.3335829828         1.767157892    
O          1.257738053         1.775662587       -0.2513618270E-01
O          1.737446281       -0.8698183237        -1.117688000    
O         -1.467552627         1.390481133       -0.1068423961    
O         -1.062496558        -1.117595510        -1.293547764    
O         -1.149985359       -0.8769043234         1.657952768    
H         0.7364230126       -0.5946532595         1.952955118    
H          1.847590459       -0.7003183904        0.8843522885    
H          1.584325955         1.137474587       -0.6866938272    
H          1.463118134         1.323861219        0.8260895993    
H          2.228442907        -1.486486932        -1.667305218    
H         0.7830083257        -1.070725914        -1.258377140    
H         -1.986224129         2.197682083       -0.3380817449E-01
H        -0.5090717472         1.666130465       -0.8351707652E-01
H         -1.324031066       -0.2141909940       -0.9862266191    
H         -1.728231739        -1.387333965        -1.933761435    
H         -1.401492973        0.9013515125E-02     1.338417994    
H         -1.175444015        -1.422191180        0.8568389425    
    18
Energy=    -44.9747272973864    
O          1.665971719       -0.3330795581         1.774469794    
O          1.258309360         1.776661377       -0.2750244301E-01
O          1.732618947       -0.8705199547        -1.119123682    
O         -1.463337926         1.386410968       -0.1046832661    
O         -1.068229315        -1.119721330        -1.298510569    
O         -1.152826999       -0.8766761916         1.657045433    
H         0.7385197926       -0.5903108490         1.955733082    
H          1.850846952       -0.6923355921        0.8890452193    
H          1.593783501         1.141791903       -0.6877530919    
H          1.463816917         1.332613738        0.8270960741    
H          2.221354080        -1.494710285        -1.662841811    
H         0.7773938871        -1.068797361        -1.258555294    
H         -1.984904868         2.190808281       -0.2244967700E-01
H        -0.5051816274         1.665449098       -0.8520947035E-01
H         -1.330526270       -0.2174896428       -0.9905246493    
H         -1.729164757        -1.384738007        -1.945671363    
H         -1.400664635        0.7951870046E-02     1.330764472    
H         -1.171771561        -1.426804649        0.8595320094    
    18
Energy=    -44.9705322346823    
O          1.666914799       -0.3336175130         1.776752514    
O          1.256884357         1.776731876       -0.2825605575E-01
O          1.731657956       -0.8705308757        -1.120293155    
O         -1.461850945         1.385565160       -0.1039542466    
O         -1.069667082        -1.120144156        -1.299567222    
O         -1.153758432       -0.8764329374         1.657137994    
H         0.7388502945       -0.5890227166         1.956688325    
H          1.851437594       -0.6903383389        0.8901856907    
H          1.596587379         1.143111392       -0.6875261615    
H          1.464091622         1.334280850        0.8268216924    
H          2.219654439        -1.496918190        -1.662097568    
H         0.7763676296        -1.068467573        -1.259163830    
H         -1.984520777         2.188993643       -0.1980368266E-01
H        -0.5041378408         1.665738555       -0.8558406866E-01
H         -1.332078797       -0.2182195422       -0.9909581462    
H         -1.728949359        -1.384544480        -1.948519590    
H         -1.400673394        0.7842919767E-02     1.328771445    
H         -1.170802247        -1.427524257        0.8602268334    
    18
Energy=    -44.9456659429523    
O          1.666214658       -0.3294641214         1.786976627    
O          1.259805301         1.781531385       -0.2538291199E-01
O          1.729762416       -0.8698616759        -1.131755270    
O         -1.457268031         1.383918877       -0.1016721210    
O         -1.072187372        -1.121902994        -1.302107656    
O         -1.146701926       -0.8742033508         1.656098386    
H         0.7345770345       -0.5767097710         1.962572012    
H          1.850356040       -0.6869186090        0.9000948869    
H          1.597431270         1.147690578       -0.6852199327    
H          1.459323360         1.328812225        0.8254402800    
H          2.210927151        -1.508937536        -1.661165630    
H         0.7736825137        -1.064552077        -1.271638564    
H         -1.980744030         2.185859857       -0.1184642689E-01
H        -0.5006408123         1.665092509       -0.8630246895E-01
H         -1.340730144       -0.2221650072       -0.9860637473    
H         -1.725996231        -1.384877685        -1.957166912    
H         -1.395041005        0.6582898822E-02     1.315954098    
H         -1.166762995        -1.433391689        0.8640461195    
    18
Energy=    -44.9208344617761    
O          1.665003181       -0.3203699773         1.793521059    
O          1.268938512         1.787620655       -0.2319392994E-01
O          1.722732993       -0.8714756586        -1.130676645    
O         -1.452157526         1.381622097       -0.1013099396    
O         -1.077866282        -1.121399127        -1.308611931    
O         -1.138355285       -0.8771268593         1.651584859    
H         0.7314970539       -0.5664886273         1.963539721    
H          1.854280152       -0.6806861530        0.9089319209    
H          1.594205253         1.148934874       -0.6843593869    
H          1.457097622         1.329028328        0.8275682920    
H          2.201971474        -1.516493667        -1.655344378    
H         0.7663355915        -1.061170575        -1.275570080    
H         -1.975538596         2.183239456       -0.6319542283E-02
H        -0.4965479283         1.662575202       -0.8647273030E-01
H         -1.348843319       -0.2253098402       -0.9873197609    
H         -1.730577998        -1.382233762        -1.965135414    
H         -1.384625887        0.8862044906E-03     1.303726188    
H         -1.161541816        -1.444648755        0.8663024662    
    18
Energy=    -44.8895198348918    
O          1.663628487       -0.3018260012         1.799166947    
O          1.278557915         1.792767141       -0.2132859811E-01
O          1.707935018       -0.8760063807        -1.118715042    
O         -1.444236511         1.377639233       -0.1015062529    
O         -1.088335244        -1.120049293        -1.321898344    
O         -1.128822320       -0.8863097747         1.643777182    
H         0.7322078639       -0.5561227626         1.964052417    
H          1.862518664       -0.6692159968        0.9204661521    
H          1.591042993         1.148687271       -0.6822152519    
H          1.461230011         1.336445298        0.8313664107    
H          2.189001170        -1.522214832        -1.642151869    
H         0.7519641083        -1.057269826        -1.274769085    
H         -1.967233241         2.178018778        0.1498487267E-03
H        -0.4882680810         1.660063810       -0.8746078789E-01
H         -1.360433487       -0.2275986215       -0.9935583536    
H         -1.743716812        -1.376947298        -1.977681305    
H         -1.367741964       -0.1002751420E-01     1.287148057    
H         -1.153291375        -1.463529418        0.8660186426    
    18
Energy=    -44.8480273760519    
O          1.658500356       -0.2772927805         1.802575266    
O          1.278052571         1.794594518       -0.1930543645E-01
O          1.691074387       -0.8787144621        -1.106667563    
O         -1.434030386         1.373303369       -0.1017666140    
O         -1.104212998        -1.120393979        -1.335972614    
O         -1.114945469       -0.8969671452         1.634921601    
H         0.7308212346       -0.5470114492         1.961972873    
H          1.871894633       -0.6580754992        0.9342552242    
H          1.590698033         1.147791284       -0.6786219060    
H          1.473395927         1.346882254        0.8356314077    
H          2.175388076        -1.527360082        -1.625938026    
H         0.7346309997        -1.054068377        -1.266875765    
H         -1.957884565         2.174271186        0.7152278986E-02
H        -0.4776803415         1.657476441       -0.8754116696E-01
H         -1.368371908       -0.2280360527        -1.005408299    
H         -1.761465134        -1.370625039        -1.992670107    
H         -1.347635072       -0.2358597146E-01     1.268735557    
H         -1.142223150        -1.485684399        0.8663840572    
    18
Energy=    -44.8258262808946    
O          1.656279724       -0.2674604049         1.804665284    
O          1.273631862         1.792988845       -0.1835198114E-01
O          1.686221448       -0.8778426517        -1.107166147    
O         -1.431190140         1.373121258       -0.1014656457    
O         -1.110142654        -1.121604852        -1.339749389    
O         -1.107601007       -0.9004086055         1.631478325    
H         0.7302364146       -0.5427262179         1.966656606    
H          1.871496199       -0.6562388352        0.9402648980    
H          1.591397422         1.147409785       -0.6771102829    
H          1.479620355         1.348913662        0.8368537435    
H          2.170976790        -1.529560245        -1.621329377    
H         0.7295025421        -1.053195960        -1.266019221    
H         -1.954478723         2.173093888        0.9156353507E-02
H        -0.4738831572         1.656843457       -0.8749685061E-01
H         -1.369806724       -0.2278775416        -1.009393492    
H         -1.767063319        -1.368730592        -1.997693828    
H         -1.340720177       -0.2790610143E-01     1.262315630    
H         -1.138469660        -1.492315073        0.8652461413    
    18
Energy=    -44.8099378169696    
O          1.654731438       -0.2631582637         1.806146066    
O          1.269497389         1.791032494       -0.1736134703E-01
O          1.685579812       -0.8764004022        -1.111570970    
O         -1.430021789         1.373672987       -0.1008946564    
O         -1.111667604        -1.122967327        -1.339841935    
O         -1.102766397       -0.9006170454         1.630149900    
H         0.7287833738       -0.5401987962         1.971254537    
H          1.869327573       -0.6573453191        0.9434377816    
H          1.591914131         1.147763024       -0.6766445338    
H          1.482314288         1.347550828        0.8373963075    
H          2.169457558        -1.531272668        -1.620879191    
H         0.7288089686        -1.052722707        -1.268114112    
H         -1.953438214         2.173259689        0.9886339782E-02
H        -0.4727226610         1.656866882       -0.8755395291E-01
H         -1.369995765       -0.2278322674        -1.009730076    
H         -1.767757739        -1.368528569        -1.999297776    
H         -1.338690524       -0.2870136026E-01     1.259628185    
H         -1.137346641        -1.493897364        0.8648502009    
    18
Energy=    -44.7988045062170    
O          1.653859310       -0.2618772721         1.806607734    
O          1.266414332         1.789407704       -0.1663946978E-01
O          1.686870073       -0.8753861417        -1.115924773    
O         -1.430251160         1.374626996       -0.1004986199    
O         -1.110925862        -1.123956675        -1.338370914    
O         -1.101538859       -0.8997365365         1.630435584    
H         0.7276606002       -0.5390277589         1.974511650    
H          1.867368950       -0.6594163830        0.9445085200    
H          1.592306093         1.148336950       -0.6767672362    
H          1.482996181         1.344784515        0.8379218067    
H          2.169452624        -1.532333878        -1.622339510    
H         0.7302466495        -1.052166130        -1.271646583    
H         -1.953496726         2.173853201        0.9847512021E-02
H        -0.4730430224         1.657217015       -0.8757361698E-01
H         -1.369748090       -0.2283019690        -1.008098003    
H         -1.765957167        -1.369047552        -1.998936521    
H         -1.338681239       -0.2760203516E-01     1.259040934    
H         -1.137525492        -1.492870234        0.8647822744    
    18
Energy=    -44.7736037248676    
O          1.656679422       -0.2546645308         1.812319909    
O          1.269184493         1.789721167       -0.2043216984E-01
O          1.679887347       -0.8717323322        -1.109398659    
O         -1.427057910         1.371362025       -0.1016625771    
O         -1.120586095        -1.124973272        -1.346414175    
O         -1.092358209       -0.9081740475         1.624912397    
H         0.7301495703       -0.5332752421         1.983917101    
H          1.865630140       -0.6532620857        0.9496113664    
H          1.591503422         1.146374055       -0.6740738985    
H          1.488963308         1.353032857        0.8380562600    
H          2.160531498        -1.532420500        -1.614766899    
H         0.7244996745        -1.056149576        -1.265852609    
H         -1.949463249         2.172237652        0.1169974263E-01
H        -0.4695638168         1.655145566       -0.8667542198E-01
H         -1.371207073       -0.2259597235        -1.018159854    
H         -1.777114733        -1.364346051        -2.004752461    
H         -1.330105055       -0.3650490370E-01     1.252688321    
H         -1.133565537        -1.499907243        0.8598443970    
    18
Energy=    -44.7322031508768    
O          1.658493078       -0.2476931723         1.817342720    
O          1.273696105         1.794873068       -0.2319658682E-01
O          1.671766789       -0.8679700100        -1.097616658    
O         -1.424637777         1.368428084       -0.1046815358    
O         -1.132610831        -1.128047173        -1.354103294    
O         -1.086126596       -0.9195755794         1.621973921    
H         0.7319052445       -0.5268587644         1.984639424    
H          1.868280777       -0.6449712172        0.9535593851    
H          1.591970424         1.141566088       -0.6738405854    
H          1.494927321         1.365603365        0.8388178133    
H          2.147004281        -1.531322297        -1.603293125    
H         0.7191952158        -1.061410393        -1.252377471    
H         -1.942762201         2.170536795        0.1453154241E-01
H        -0.4674831863         1.650319525       -0.8281278568E-01
H         -1.370529954       -0.2217949904        -1.034299655    
H         -1.794547599        -1.357420042        -2.014183685    
H         -1.316105063       -0.4762658624E-01     1.244322684    
H         -1.126428833        -1.510132884        0.8560786578    
    18
Energy=    -44.6214197705428    
O          1.664876848       -0.2374770587         1.824149596    
O          1.290250028         1.806351512       -0.2957406791E-01
O          1.652130532       -0.8692633783        -1.065243392    
O         -1.417446276         1.361343741       -0.1095878805    
O         -1.156560647        -1.125923294        -1.374833579    
O         -1.078400930       -0.9402563596         1.613055273    
H         0.7403396127       -0.5207449615         1.979847367    
H          1.878300350       -0.6237179641        0.9578670353    
H          1.590859651         1.132743609       -0.6707157730    
H          1.504242669         1.394840720        0.8371279289    
H          2.129266225        -1.525716520        -1.579242719    
H         0.7003011733        -1.068739142        -1.220780685    
H         -1.932608920         2.163887133        0.1905636830E-01
H        -0.4609400737         1.642249302       -0.7904977811E-01
H         -1.372181434       -0.2162200971        -1.063379390    
H         -1.826549801        -1.345492559        -2.029462296    
H         -1.294792805       -0.6937826307E-01     1.233083309    
H         -1.115079006        -1.531982608        0.8485434506    
    18
Energy=    -44.5777782579254    
O          1.670632656       -0.2327996575         1.832433861    
O          1.299761791         1.813847903       -0.3699680745E-01
O          1.638442978       -0.8713493430        -1.054566978    
O         -1.411829159         1.357800710       -0.1110386916    
O         -1.168804663        -1.125779592        -1.388033275    
O         -1.065971458       -0.9522544555         1.604566926    
H         0.7471947327       -0.5142048213         1.991095557    
H          1.877310275       -0.6116184396        0.9622688607    
H          1.589033767         1.127339314       -0.6677691619    
H          1.510207760         1.409036760        0.8370521392    
H          2.124857870        -1.523490282        -1.566735223    
H         0.6857739807        -1.070890100        -1.204301367    
H         -1.928875341         2.159140212        0.2114431217E-01
H        -0.4555259161         1.637307356       -0.7889962682E-01
H         -1.374606933       -0.2099366770        -1.077707134    
H         -1.845233384        -1.340130270        -2.038964218    
H         -1.286142361       -0.7965340292E-01     1.227611593    
H         -1.110219400        -1.545861400        0.8397000029    
    18
Energy=    -44.5466303459560    
O          1.674037218       -0.2302215211         1.837381571    
O          1.305059154         1.817452176       -0.3949513101E-01
O          1.630577641       -0.8734790414        -1.048919841    
O         -1.408028687         1.355806816       -0.1109889265    
O         -1.175440465        -1.123261772        -1.395965452    
O         -1.057501369       -0.9577206439         1.598319491    
H         0.7506445303       -0.5118285361         1.998186948    
H          1.877068505       -0.6049276675        0.9640114724    
H          1.587968550         1.124293568       -0.6661601215    
H          1.513161164         1.417197857        0.8354611648    
H          2.122940788        -1.521533274        -1.559916491    
H         0.6778280692        -1.072353817        -1.195944885    
H         -1.927226531         2.155521734        0.2199454056E-01
H        -0.4518234882         1.635630879       -0.8010941988E-01
H         -1.376753245       -0.2078554533        -1.084616140    
H         -1.853951235        -1.337824104        -2.043014183    
H         -1.283793328       -0.8570796506E-01     1.225417828    
H         -1.108760074        -1.552685420        0.8352183424    
    18
Energy=    -44.5272717094394    
O          1.675828204       -0.2297883183         1.841569714    
O          1.307199268         1.819340829       -0.4125943540E-01
O          1.626903037       -0.8730892184        -1.049163876    
O         -1.405605319         1.354772064       -0.1101362345    
O         -1.178219422        -1.122203163        -1.399744338    
O         -1.048145846       -0.9598907735         1.594140041    
H         0.7512500265       -0.5099772075         2.005400394    
H          1.874870977       -0.6020428036        0.9656131599    
H          1.587170269         1.122774402       -0.6655755763    
H          1.514462046         1.420513909        0.8347289971    
H          2.122399107        -1.521317402        -1.557325811    
H         0.6738828276        -1.074053705        -1.192285900    
H         -1.926675640         2.153328313        0.2236805597E-01
H        -0.4493702311         1.635180997       -0.8139362757E-01
H         -1.378071662       -0.2058754589        -1.087818250    
H         -1.857995290        -1.337124408        -2.045015055    
H         -1.284979023       -0.8822443848E-01     1.224232680    
H         -1.108896132        -1.555819804        0.8325258303    
    18
Energy=    -44.2884784435811    
O          1.702640154       -0.1986781335         1.861354960    
O          1.332649263         1.833032670       -0.5621777005E-01
O          1.582267827       -0.8887490297       -0.9868964839    
O         -1.377420042         1.337943183       -0.1054921558    
O         -1.195740599        -1.097610589        -1.452048786    
O         -1.014262673       -0.9943072344         1.560113265    
H         0.7934102378       -0.5130810936         2.052980298    
H          1.872748838       -0.5628073149        0.9731756872    
H          1.582950837         1.104154994       -0.6557350255    
H          1.539280305         1.463096294        0.8324252154    
H          2.098422415        -1.500183113        -1.517292008    
H         0.6365561411        -1.089987521        -1.177662881    
H         -1.917129021         2.124008371        0.2234807126E-01
H        -0.4278552936         1.642831554       -0.1017055846    
H         -1.413919424       -0.1981723661        -1.105069791    
H         -1.901323863        -1.329089792        -2.063632752    
H         -1.285086002       -0.1240167078         1.211148158    
H         -1.112181904        -1.581880357        0.7990683517    
    18
Energy=    -44.2631901906615    
O          1.704103976       -0.1959000699         1.860779645    
O          1.334939089         1.834161811       -0.5707326473E-01
O          1.578732658       -0.8909749262       -0.9783249125    
O         -1.375217173         1.336568979       -0.1054907963    
O         -1.196864486        -1.095270401        -1.456552224    
O         -1.015464648       -0.9969310987         1.559118423    
H         0.7980772987       -0.5146578143         2.052513792    
H          1.874753906       -0.5592858917        0.9729731163    
H          1.582844608         1.102829902       -0.6547246228    
H          1.541331518         1.466955408        0.8323640580    
H          2.096377810        -1.497921563        -1.513704777    
H         0.6335161817        -1.090840058        -1.176288522    
H         -1.916261716         2.121657854        0.2228821216E-01
H        -0.4265522104         1.643660713       -0.1032425526    
H         -1.417173116       -0.1981486213        -1.105956793    
H         -1.904486867        -1.328362220        -2.064746066    
H         -1.284394691       -0.1267389551         1.210227584    
H         -1.112254943        -1.584299234        0.7967004687    
    18
Energy=    -44.2060470710605    
O          1.700786176       -0.1967535195         1.849669887    
O          1.338673844         1.838419507       -0.5777446587E-01
O          1.573851775       -0.9004412837       -0.9566232797    
O         -1.372571419         1.334981743       -0.1060695550    
O         -1.196085850        -1.092324341        -1.462497815    
O         -1.028065111       -0.9997086278         1.563507102    
H         0.7999036627       -0.5242865395         2.026381766    
H          1.893151416       -0.5526014193        0.9663016681    
H          1.583475539         1.103052120       -0.6524093930    
H          1.542285334         1.473759765        0.8329995282    
H          2.094117244        -1.491449163        -1.506794880    
H         0.6321839316        -1.090272506        -1.166168895    
H         -1.915393001         2.118730810        0.2259368273E-01
H        -0.4252818267         1.645430766       -0.1046186725    
H         -1.421261665       -0.1974969286        -1.105715252    
H         -1.906521899        -1.328020845        -2.064215523    
H         -1.285335648       -0.1270116706         1.210049961    
H         -1.111905307        -1.587504052        0.8022449033    
    18
Energy=    -43.9358162119616    
O          1.726682473       -0.1628582909         1.856169808    
O          1.347540149         1.835687572       -0.6123007049E-01
O          1.546550234       -0.9234851992       -0.9191436030    
O         -1.370573885         1.332021183       -0.1159320333    
O         -1.206943488        -1.087215383        -1.486706370    
O         -1.075516385        -1.036364594         1.553691006    
H         0.8444646349       -0.5098767435         2.079404117    
H          1.888233311       -0.5339487301        0.9707815909    
H          1.585255363         1.089612214       -0.6438752092    
H          1.563991779         1.486447350        0.8330286435    
H          2.086934682        -1.479250355        -1.488966539    
H         0.6133962490        -1.074471026        -1.189231004    
H         -1.913631947         2.114717092        0.2015206985E-01
H        -0.4236712629         1.640870678       -0.1065594975    
H         -1.436921183       -0.2049781796        -1.104586094    
H         -1.930046892        -1.320689116        -2.076243234    
H         -1.244265282       -0.1427213920         1.202931762    
H         -1.105471355        -1.596993265        0.7671754251    
    18
Energy=    -43.8958105169426    
O          1.731947024       -0.1566685333         1.861145912    
O          1.348037458         1.833959548       -0.6164557966E-01
O          1.543702921       -0.9236491068       -0.9203501379    
O         -1.370697713         1.331745277       -0.1171040588    
O         -1.209254509        -1.087271256        -1.489353046    
O         -1.077565143        -1.041487055         1.549757290    
H         0.8535064930       -0.5041696798         2.096976850    
H          1.878677026       -0.5333268933        0.9751359332    
H          1.585191859         1.087087394       -0.6433585689    
H          1.567277017         1.486557492        0.8327193044    
H          2.086119660        -1.479388752        -1.487747389    
H         0.6102878849        -1.072573585        -1.196386294    
H         -1.913413146         2.114609737        0.1964417146E-01
H        -0.4235644528         1.639779926       -0.1067626050    
H         -1.438630206       -0.2060838187        -1.104732745    
H         -1.933423900        -1.319457785        -2.078392095    
H         -1.237795087       -0.1456980997         1.201732708    
H         -1.104395991        -1.597460996        0.7595811193    
    18
Energy=    -43.8809811526262    
O          1.733093153       -0.1552481222         1.861887770    
O          1.348324550         1.834086032       -0.6181969655E-01
O          1.544421669       -0.9250640155       -0.9187183687    
O         -1.370689449         1.331701430       -0.1174056643    
O         -1.209498843        -1.087141244        -1.490081917    
O         -1.079684622        -1.042272264         1.549927497    
H         0.8534140766       -0.5047211357         2.096388900    
H          1.879995650       -0.5328725217        0.9741161606    
H          1.585279586         1.086913696       -0.6429655898    
H          1.567804952         1.487022638        0.8328015640    
H          2.085604605        -1.478406270        -1.486825234    
H         0.6088025677        -1.072195517        -1.196748068    
H         -1.913436609         2.114531324        0.1960944024E-01
H        -0.4234876867         1.639673169       -0.1067719220    
H         -1.439002082       -0.2062792672        -1.104603297    
H         -1.933906014        -1.319295574        -2.078568171    
H         -1.236700579       -0.1462271730         1.201608457    
H         -1.104327727        -1.597701370        0.7590289077    
    18
Energy=    -43.6587535932593    
O          1.735175619       -0.1520130086         1.865488807    
O          1.348433335         1.832424678       -0.6130370180E-01
O          1.533842990       -0.9237579552       -0.9149339947    
O         -1.370655834         1.331692832       -0.1184456285    
O         -1.210733172        -1.086763447        -1.491801759    
O         -1.082161630        -1.047183292         1.547647321    
H         0.8535692423       -0.5005170447         2.113491438    
H          1.883074770       -0.5300691643        0.9722453754    
H          1.585681667         1.084834411       -0.6429431781    
H          1.570774207         1.488119567        0.8325911942    
H          2.087643376        -1.481025439        -1.490310757    
H         0.6112798206        -1.070225122        -1.201313516    
H         -1.913280530         2.114426073        0.1922408828E-01
H        -0.4237937948         1.638856326       -0.1068547432    
H         -1.440267896       -0.2075103280        -1.104627484    
H         -1.936784974        -1.318480252        -2.080403947    
H         -1.231435638       -0.1481377446         1.200384052    
H         -1.104354364        -1.598167276        0.7527272004    
    18
Energy=    -42.5874884178665    
O          1.779799906       -0.1080657469         1.923475935    
O          1.344149035         1.806478750       -0.6274667449E-01
O          1.520244991       -0.8920348592       -0.9881215211    
O         -1.374032065         1.329667277       -0.1224885612    
O         -1.233497200        -1.095150758        -1.502325428    
O         -1.038190181        -1.081563878         1.495622267    
H         0.9296977075       -0.4246198216         2.348309213    
H          1.743442592       -0.5413924826         1.033485013    
H          1.581996558         1.061956198       -0.6494805701    
H          1.594045103         1.474632881        0.8287843281    
H          2.079901576        -1.499662277        -1.494479411    
H         0.5948253443        -1.064532648        -1.285480134    
H         -1.910214138         2.116602180        0.1437830136E-01
H        -0.4246787810         1.629801788       -0.1086470273    
H         -1.447966934       -0.2131525487        -1.109528206    
H         -1.958058972        -1.308204104        -2.097711490    
H         -1.188957851       -0.1686424628         1.190360206    
H         -1.096499495        -1.595613674        0.6774545272    
    18
Energy=    -42.4874237214780    
O          1.790775269       -0.9500487410E-01     1.945274821    
O          1.341625162         1.795053310       -0.6343329247E-01
O          1.515580102       -0.8703172941        -1.040032717    
O         -1.375522155         1.328540282       -0.1228442882    
O         -1.244024190        -1.099571396        -1.504185834    
O         -1.005517356        -1.092517440         1.468910307    
H         0.9975068883       -0.3810129444         2.450203071    
H          1.640586334       -0.5539394714         1.086301741    
H          1.578936036         1.051174693       -0.6536245786    
H          1.601396990         1.463467796        0.8253873788    
H          2.077222974        -1.511736774        -1.493997319    
H         0.5913972892        -1.062891906        -1.322736478    
H         -1.908654313         2.117861412        0.1216743524E-01
H        -0.4245752149         1.625570248       -0.1097050548    
H         -1.450163902       -0.2146875501        -1.113028941    
H         -1.966228912        -1.303888027        -2.105422681    
H         -1.174251188       -0.1762472429         1.186499632    
H         -1.090082616        -1.593349006        0.6451275656    
    18
Energy=    -42.0514452480364    
O          1.798964749       -0.8649503829E-01     1.958260424    
O          1.339224630         1.783523006       -0.6401227645E-01
O          1.512114435       -0.8488463648        -1.093068820    
O         -1.376815711         1.327554021       -0.1230015763    
O         -1.254418670        -1.103853126        -1.505716754    
O        -0.9721434086        -1.102451832         1.442184754    
H          1.066314552       -0.3369401190         2.551990158    
H          1.538197783       -0.5644010603         1.144267734    
H          1.575764365         1.040805019       -0.6577591841    
H          1.608119590         1.452224520        0.8218756001    
H          2.073564984        -1.523086932        -1.492230137    
H         0.5887761065        -1.061585243        -1.358953974    
H         -1.907035725         2.118974388        0.1000531007E-01
H        -0.4245874349         1.621418963       -0.1107743902    
H         -1.452184441       -0.2161210142        -1.116644106    
H         -1.973873377        -1.299692963        -2.112790027    
H         -1.160560159       -0.1835459579         1.182998354    
H         -1.083415073        -1.590976453        0.6142296777    
    18
Energy=    -41.9198118409527    
O          1.801345281       -0.8423262869E-01     1.961181203    
O          1.338667506         1.780803816       -0.6414581971E-01
O          1.511286115       -0.8437044685        -1.105519127    
O         -1.377116366         1.327327634       -0.1230374497    
O         -1.256862878        -1.104858992        -1.506074951    
O        -0.9642856502        -1.104792448         1.435918378    
H          1.082190172       -0.3266945922         2.576167678    
H          1.513959899       -0.5670180102         1.157780600    
H          1.575015704         1.038369887       -0.6587348911    
H          1.609689644         1.449579641        0.8210486236    
H          2.072759195        -1.525832382        -1.491833872    
H         0.5881303860        -1.061287725        -1.367475204    
H         -1.906652551         2.119232890        0.9496861524E-02
H        -0.4245968840         1.620441579       -0.1110252666    
H         -1.452657948       -0.2164575659        -1.117495348    
H         -1.975666323        -1.298707178        -2.114519869    
H         -1.157354518       -0.1852372088         1.182174018    
H         -1.081843587        -1.590428433        0.6069552029    
    18
Energy=    -41.7851364947759    
O          1.801499691       -0.8262075778E-01     1.967142833    
O          1.337458042         1.775087530       -0.6439921786E-01
O          1.509869605       -0.8336029535        -1.132056243    
O         -1.377716633         1.326850633       -0.1230744145    
O         -1.261981496        -1.106944286        -1.506766416    
O        -0.9477009749        -1.109436074         1.422616572    
H          1.118568942       -0.3037208538         2.625464130    
H          1.464666778       -0.5711591896         1.187067316    
H          1.573447154         1.033330142       -0.6607428917    
H          1.612945491         1.444046821        0.8192452243    
H          2.070392165        -1.530904115        -1.490528320    
H         0.5872265323        -1.060679815        -1.385170242    
H         -1.905851741         2.119763049        0.8437333833E-02
H        -0.4246024046         1.618411179       -0.1115629627    
H         -1.453628769       -0.2171550117        -1.119304638    
H         -1.979350800        -1.296654838        -2.118095709    
H         -1.150724901       -0.1889579928         1.180520933    
H         -1.078509485        -1.589149653        0.5920674790    
    18
Energy=    -41.7477085529176    
O          1.795225601       -0.8469176910E-01     1.975176586    
O          1.335741520         1.767738793       -0.6492596713E-01
O          1.508919120       -0.8217583527        -1.167223283    
O         -1.378545407         1.326177670       -0.1230930512    
O         -1.268640271        -1.109676112        -1.507622866    
O        -0.9260154167        -1.115206712         1.405122503    
H          1.169912489       -0.2718997621         2.687601380    
H          1.402808031       -0.5744936310         1.226553283    
H          1.571418245         1.026810365       -0.6633031705    
H          1.617267832         1.436784180        0.8170275038    
H          2.066147048        -1.536200554        -1.488123729    
H         0.5863588414        -1.059921496        -1.408142095    
H         -1.904822091         2.120465524        0.7063906759E-02
H        -0.4245104694         1.615809824       -0.1122749085    
H         -1.454886273       -0.2180339497        -1.121670614    
H         -1.984110770        -1.293990977        -2.122724839    
H         -1.142110633       -0.1940736322         1.178426247    
H         -1.074150202        -1.587335593        0.5729938811    
    18
Energy=    -41.7415611975305    
O          1.792942387       -0.8573477046E-01     1.976984718    
O          1.335352840         1.766211616       -0.6507270049E-01
O          1.508861713       -0.8194452017        -1.174670508    
O         -1.378726541         1.326028358       -0.1230919101    
O         -1.270035955        -1.110253743        -1.507793812    
O        -0.9214423198        -1.116378837         1.401438093    
H          1.181213136       -0.2649206804         2.700465050    
H          1.390236506       -0.5749207633         1.234842010    
H          1.570996030         1.025446955       -0.6638319514    
H          1.618192857         1.435253130        0.8165826198    
H          2.065077154        -1.537125400        -1.487530054    
H         0.5862179784        -1.059780560        -1.412968400    
H         -1.904607876         2.120615356        0.6776450596E-02
H        -0.4244752718         1.615271208       -0.1124267198    
H         -1.455150195       -0.2182130546        -1.122168606    
H         -1.985105348        -1.293433141        -2.123693538    
H         -1.140306488       -0.1951860382         1.177988956    
H         -1.073233411        -1.586930618        0.5690310708    
    18
Energy=    -41.7309851725263    
O          1.791732173       -0.8525682292E-01     1.979882872    
O          1.334923501         1.763223014       -0.6528710647E-01
O          1.508597808       -0.8142088761        -1.190209889    
O         -1.379049403         1.325718988       -0.1230451750    
O         -1.272782282        -1.111329165        -1.508046691    
O        -0.9123890554        -1.118304583         1.394400803    
H          1.202163442       -0.2531482743         2.722974144    
H          1.362966798       -0.5769621969         1.254281212    
H          1.570034593         1.022698553       -0.6649616771    
H          1.619488979         1.431737195        0.8156236567    
H          2.063799013        -1.539332055        -1.486224070    
H         0.5857519510        -1.059314711        -1.421851692    
H         -1.904170049         2.120878581        0.6219923789E-02
H        -0.4244240716         1.614140756       -0.1127118107    
H         -1.455637626       -0.2184500874        -1.123253042    
H         -1.986978081        -1.292353907        -2.125578200    
H         -1.137223675       -0.1969846212         1.177134934    
H         -1.070796817        -1.586247974        0.5615125768    
    18
Energy=    -41.7403651320289    
O          1.790762895       -0.8468269859E-01     1.982519795    
O          1.334550786         1.760413884       -0.6546969189E-01
O          1.508309982       -0.8092842758        -1.204842972    
O         -1.379346152         1.325430455       -0.1229990652    
O         -1.275357358        -1.112329893        -1.508279647    
O        -0.9039101978        -1.120081378         1.387805920    
H          1.221751515       -0.2422584623         2.743755316    
H          1.337262310       -0.5788925834         1.272867438    
H          1.569123747         1.020122154       -0.6660268389    
H          1.620664215         1.428414249        0.8147107190    
H          2.062659235        -1.541416191        -1.484986878    
H         0.5853267921        -1.058849274        -1.430125333    
H         -1.903758368         2.121122108        0.5698809985E-02
H        -0.4243818092         1.613074744       -0.1129777474    
H         -1.456091295       -0.2186679022        -1.124276526    
H         -1.988726567        -1.291343647        -2.127342012    
H         -1.134360123       -0.1986515201         1.176340093    
H         -1.068472412        -1.585615954        0.5544893882    
    18
Energy=    -41.7416460709319    
O          1.790872539       -0.8451212823E-01     1.982592316    
O          1.334558310         1.760215363       -0.6546173643E-01
O          1.508246139       -0.8089400280        -1.205888025    
O         -1.379359709         1.325412835       -0.1229937965    
O         -1.275530295        -1.112388748        -1.508291507    
O        -0.9033595330        -1.120170778         1.387369817    
H          1.222984662       -0.2416897265         2.744815650    
H          1.335425199       -0.5790302935         1.274501181    
H          1.569053864         1.019950254       -0.6661051671    
H          1.620699787         1.428163544        0.8146362659    
H          2.062645276        -1.541571912        -1.484888373    
H         0.5853090504        -1.058785743        -1.430624377    
H         -1.903729517         2.121134737        0.5664331352E-02
H        -0.4243856605         1.612996455       -0.1129938242    
H         -1.456118420       -0.2186776605        -1.124352381    
H         -1.988836357        -1.291277631        -2.127457180    
H         -1.134196061       -0.1987441734         1.176291322    
H         -1.068272077        -1.585580553        0.5540462519    
    18
Energy=    -41.7480751756335    
O          1.792157431       -0.8282255299E-01     1.983490327    
O          1.334549194         1.758658948       -0.6551014290E-01
O          1.507971492       -0.8058886903        -1.214414650    
O         -1.379503381         1.325247173       -0.1229470446    
O         -1.276948171        -1.112901092        -1.508380087    
O        -0.8987374444        -1.120945590         1.383880236    
H          1.232935254       -0.2368221439         2.754698948    
H          1.320070966       -0.5806636947         1.286609928    
H          1.568489722         1.018499188       -0.6667461094    
H          1.621047082         1.426057850        0.8140945466    
H          2.062478535        -1.542919710        -1.484113015    
H         0.5849739858        -1.058401050        -1.434844091    
H         -1.903494329         2.121249423        0.5380475033E-02
H        -0.4243782606         1.612366672       -0.1131295797    
H         -1.456352037       -0.2187352196        -1.124974130    
H         -1.989754344        -1.290731805        -2.128417800    
H         -1.132871915       -0.1994568910         1.175846135    
H         -1.066626583        -1.585287000        0.5503368198    
    18
Energy=    -41.7586002827493    
O          1.793642572       -0.8000183842E-01     1.985622962    
O          1.334487884         1.755350228       -0.6567291852E-01
O          1.507594129       -0.7996190891        -1.232761445    
O         -1.379823379         1.324879255       -0.1228410304    
O         -1.279984637        -1.114006137        -1.508558985    
O        -0.8888022479        -1.122554991         1.376391810    
H          1.254863308       -0.2260457949         2.775617255    
H          1.287790711       -0.5837483943         1.312573190    
H          1.567284989         1.015393786       -0.6681074444    
H          1.621820126         1.421530721        0.8129674499    
H          2.061866243        -1.545518016        -1.482358821    
H         0.5843034737        -1.057601420        -1.443896867    
H         -1.902993368         2.121500004        0.4772973105E-02
H        -0.4243382151         1.611026529       -0.1134237273    
H         -1.456853869       -0.2188515319        -1.126308287    
H         -1.991718857        -1.289562896        -2.130474896    
H         -1.130033068       -0.2010356156         1.174892247    
H         -1.063098598        -1.584630985        0.5424273011    
    18
Energy=    -41.7872160565430    
O          1.793605721       -0.7791272022E-01     1.988172255    
O          1.334375330         1.751566430       -0.6591416564E-01
O          1.507377602       -0.7928192605        -1.253920050    
O         -1.380198652         1.324445277       -0.1227108129    
O         -1.283470394        -1.115279695        -1.508749837    
O        -0.8773662004        -1.124320871         1.367773663    
H          1.280723701       -0.2132781460         2.799279569    
H          1.251729968       -0.5865945153         1.342569229    
H          1.565904754         1.011841308       -0.6696583396    
H          1.622731166         1.416320467        0.8116979635    
H          2.060835606        -1.548095235        -1.480246674    
H         0.5836512606        -1.056690584        -1.454279350    
H         -1.902420678         2.121790981        0.4076191442E-02
H        -0.4242688159         1.609496488       -0.1137654596    
H         -1.457429990       -0.2189784839        -1.127844269    
H         -1.993965162        -1.288222099        -2.132830970    
H         -1.126770392       -0.2029256211         1.173799823    
H         -1.059037629        -1.583839906        0.5334120012    
    18
Energy=    -41.8022876435090    
O          1.793246863       -0.7752219671E-01     1.988956892    
O          1.334335119         1.750453199       -0.6599470625E-01
O          1.507353744       -0.7908993828        -1.260171052    
O         -1.380310213         1.324315661       -0.1226707149    
O         -1.284497429        -1.115655332        -1.508803148    
O        -0.8739936327        -1.124823574         1.365231111    
H          1.288472341       -0.2094453613         2.806162383    
H          1.241313615       -0.5872922130         1.351445419    
H          1.565498415         1.010797972       -0.6701133756    
H          1.623002571         1.414782882        0.8113276844    
H          2.060468143        -1.548770882        -1.479607498    
H         0.5834847882        -1.056421422        -1.457333895    
H         -1.902252260         2.121877049        0.3871015803E-02
H        -0.4242443933         1.609047023       -0.1138668434    
H         -1.457599546       -0.2190148055        -1.128297823    
H         -1.994624552        -1.287827391        -2.133523588    
H         -1.125808606       -0.2034982128         1.173478409    
H         -1.057837771        -1.583599200        0.5307704984    
    18
Energy=    -41.8184720690128    
O          1.788452481       -0.7436121693E-01     1.997006898    
O          1.333912935         1.739304713       -0.6682998141E-01
O          1.507242085       -0.7719715908        -1.322821012    
O         -1.381428640         1.323013482       -0.1222630563    
O         -1.294782571        -1.119416386        -1.509326372    
O        -0.8402215086        -1.129792637         1.339762840    
H          1.366492286       -0.1708439815         2.874717189    
H          1.137748288       -0.5938003350         1.440440449    
H          1.561429528         1.000364015       -0.6746664698    
H          1.625723617         1.399375370        0.8076288451    
H          2.056575305        -1.555240581        -1.473158354    
H         0.5819118197        -1.053715768        -1.487901341    
H         -1.900566026         2.122739160        0.1816653254E-02
H        -0.4239885677         1.604549085       -0.1148840521    
H         -1.459296464       -0.2193752530        -1.132844042    
H         -2.001217025        -1.283876248        -2.140452825    
H         -1.116177056       -0.2092869603         1.170259359    
H         -1.045803292        -1.581161053        0.5043760396    
    18
Energy=    -42.0453978324923    
O          1.786179685       -0.7762724719E-01     1.995054897    
O          1.333992959         1.743024917       -0.6666142608E-01
O          1.507774038       -0.7794129183        -1.302480512    
O         -1.381093874         1.323403000       -0.1223912219    
O         -1.291398126        -1.118184785        -1.509153657    
O        -0.8513701524        -1.127978462         1.348028414    
H          1.342577053       -0.1829083710         2.849699455    
H          1.173939508       -0.5900528862         1.412759318    
H          1.562775717         1.003815624       -0.6731175111    
H          1.624889485         1.404407664        0.8089488116    
H          2.057096146        -1.552067907        -1.474914115    
H         0.5826612994        -1.054493976        -1.477843067    
H         -1.901134295         2.122465986        0.2496279033E-02
H        -0.4240145218         1.606049902       -0.1145532134    
H         -1.458738368       -0.2192477516        -1.131349340    
H         -1.999051270        -1.285178124        -2.138169776    
H         -1.119297523       -0.2075841382         1.171360210    
H         -1.049780562        -1.581926711        0.5131472237    
    18
Energy=    -42.7213804327521    
O          1.744830826       -0.8644706929E-01     2.025428825    
O          1.333527345         1.718840197       -0.6852031930E-01
O          1.508191078       -0.7482967335        -1.432777042    
O         -1.383033384         1.320866604       -0.1214203626    
O         -1.312551017        -1.125526312        -1.509866395    
O        -0.7847627064        -1.136142083         1.296658820    
H          1.511467237       -0.1007153035         2.974670499    
H         0.9849550802       -0.5927566550         1.595658518    
H          1.554329128        0.9829001780       -0.6831201731    
H          1.629107497         1.371746091        0.8009890453    
H          2.045290907        -1.557863930        -1.460568546    
H         0.5828622056        -1.047132544        -1.540172341    
H         -1.897527053         2.124112542       -0.1761047957E-02
H        -0.4236111139         1.596538844       -0.1165772981    
H         -1.462263792       -0.2198909970        -1.141011159    
H         -2.012105325        -1.277125444        -2.152175290    
H         -1.099977951       -0.2209073020         1.163906607    
H         -1.022721766        -1.575696268        0.4615184270    
    18
Energy=    -43.1697449440137    
O          1.723362071       -0.9374855506E-01     2.041298174    
O          1.333519919         1.715065910       -0.7047309791E-01
O          1.517923092       -0.7534407660        -1.447241569    
O         -1.383328364         1.320654914       -0.1212192751    
O         -1.315327244        -1.126131850        -1.509871672    
O        -0.7808666934        -1.134992388         1.294022097    
H          1.529661401       -0.9136823082E-01     2.983335995    
H         0.9831181773       -0.5888500856         1.607741197    
H          1.553321343        0.9809987023       -0.6852253369    
H          1.628238146         1.366042878        0.8011651928    
H          2.037973083        -1.547259885        -1.458923012    
H         0.5797730903        -1.046623939        -1.548050777    
H         -1.896852307         2.124176606       -0.2291893372E-02
H        -0.4233690322         1.595268390       -0.1166673041    
H         -1.462806438       -0.2197050399        -1.142438186    
H         -2.012706132        -1.276217057        -2.153242634    
H         -1.098701846       -0.2230576591         1.161656172    
H         -1.016925070        -1.574308131        0.4572866966    
    18
Energy=    -43.3690078606787    
O          1.713046021       -0.9630576149E-01     2.048366419    
O          1.333755926         1.711244158       -0.6990258291E-01
O          1.510563602       -0.7468227235        -1.465939758    
O         -1.383437075         1.320115818       -0.1211522423    
O         -1.317633158        -1.126939546        -1.509577046    
O        -0.7732824841        -1.136151910         1.287184095    
H          1.552195425       -0.8138513990E-01     2.995004212    
H         0.9633115029       -0.5869346097         1.635093504    
H          1.552320642        0.9778868708       -0.6873907633    
H          1.627933424         1.361105830        0.7996155269    
H          2.039532974        -1.551483573        -1.456882606    
H         0.5839784643        -1.043708994        -1.556142603    
H         -1.896385625         2.124559245       -0.2863789053E-02
H        -0.4233270173         1.593866808       -0.1168674163    
H         -1.463391904       -0.2196075170        -1.143813152    
H         -2.014675867        -1.275238822        -2.155445506    
H         -1.096456404       -0.2245819232         1.160268359    
H         -1.012041250        -1.573114396        0.4513061156    
    18
Energy=    -43.7686153020203    
O          1.691350157       -0.8801677626E-01     2.066438026    
O          1.335461784         1.689065785       -0.7214662940E-01
O          1.515281146       -0.7392114350        -1.556406742    
O         -1.384533594         1.318383204       -0.1215885020    
O         -1.329400128        -1.129125618        -1.510548649    
O        -0.7542336765        -1.138363168         1.266760362    
H          1.626655533       -0.5457303577E-01     3.032011025    
H         0.8892556842       -0.5768027923         1.795243685    
H          1.548499941        0.9642403816       -0.6993644864    
H          1.621850192         1.328747051        0.7967914732    
H          2.032138054        -1.538165577        -1.442480365    
H         0.5793504411        -1.032064996        -1.599291383    
H         -1.893091675         2.125711632       -0.5694348837E-02
H        -0.4230637422         1.586348707       -0.1169494775    
H         -1.467234171       -0.2187405321        -1.150444982    
H         -2.020766759        -1.270884630        -2.163789545    
H         -1.089037164       -0.2297455060         1.150185867    
H        -0.9824748263        -1.570298880        0.4221354387    
    18
Energy=    -43.9157152354673    
O          1.688299673       -0.8612581691E-01     2.077873598    
O          1.335512077         1.686397081       -0.7190166105E-01
O          1.514027535       -0.7376581651        -1.570837289    
O         -1.384996185         1.317962883       -0.1216711158    
O         -1.331028673        -1.129726514        -1.510907244    
O        -0.7515153351        -1.139361786         1.263532179    
H          1.641582829       -0.4858116769E-01     3.035260306    
H         0.8742872052       -0.5777483254         1.814326182    
H          1.548155633        0.9614178997       -0.7015944349    
H          1.620772134         1.323504766        0.7957337594    
H          2.030915587        -1.536536766        -1.440082962    
H         0.5805826064        -1.030001567        -1.606052348    
H         -1.892621403         2.125997041       -0.6132847774E-02
H        -0.4226572161         1.585234154       -0.1169940841    
H         -1.467963382       -0.2182923969        -1.151316008    
H         -2.021681295        -1.270215230        -2.165072407    
H         -1.088013437       -0.2305764807         1.148215266    
H        -0.9776511568        -1.569185795        0.4184818805    
    18
Energy=    -43.9636696962451    
O          1.682360456       -0.8624791899E-01     2.085676829    
O          1.335652985         1.683857204       -0.7232353452E-01
O          1.513778532       -0.7366776686        -1.581109256    
O         -1.385078325         1.317729141       -0.1217583922    
O         -1.331959105        -1.129736886        -1.511047155    
O        -0.7507722745        -1.139658820         1.262631340    
H          1.652450583       -0.4388662094E-01     3.040721587    
H         0.8680845816       -0.5777436506         1.824655979    
H          1.547913336        0.9597689624       -0.7030893410    
H          1.619535366         1.319080288        0.7949514562    
H          2.029747205        -1.534489372        -1.438265357    
H         0.5810998430        -1.028549818        -1.611167525    
H         -1.892256523         2.126211740       -0.6452341089E-02
H        -0.4225253754         1.584291783       -0.1169971398    
H         -1.468581952       -0.2181047279        -1.152027236    
H         -2.022249315        -1.269819339        -2.166001859    
H         -1.087620606       -0.2312989316         1.146208467    
H        -0.9735722157        -1.568221550        0.4162542443    
    18
Energy=    -44.0398481598408    
O          1.670569661       -0.8335549735E-01     2.100790851    
O          1.336227591         1.675922786       -0.7349292039E-01
O          1.513987231       -0.7343258764        -1.610583720    
O         -1.385354946         1.317176575       -0.1221459727    
O         -1.334407164        -1.129503267        -1.511859033    
O        -0.7507105331        -1.140568933         1.261109024    
H          1.679239486       -0.3367334220E-01     3.055126866    
H         0.8515596423       -0.5772762970         1.861566157    
H          1.547454788        0.9551373066       -0.7076598859    
H          1.615396509         1.305625409        0.7929987838    
H          2.026814894        -1.527790769        -1.432458863    
H         0.5810294537        -1.024083755        -1.626099761    
H         -1.891057095         2.126694747       -0.7366627897E-02
H        -0.4222306097         1.581539262       -0.1169259289    
H         -1.470548960       -0.2174777999        -1.153966393    
H         -2.023494304        -1.268789100        -2.168391495    
H         -1.086982473       -0.2325785853         1.140350812    
H        -0.9614859746        -1.566169049        0.4098688752    
    18
Energy=    -44.1980468703825    
O          1.653694177       -0.6679841423E-01     2.128957149    
O          1.336751860         1.657921255       -0.7471153963E-01
O          1.511997379       -0.7333207865        -1.666673869    
O         -1.386189541         1.314392111       -0.1240726290    
O         -1.332591615        -1.125940811        -1.515017208    
O        -0.7717816395        -1.143027205         1.269381524    
H          1.722745253       -0.2226349305E-01     3.078513361    
H         0.8413021305       -0.5794769183         1.926702551    
H          1.550190389        0.9436040089       -0.7229130357    
H          1.600503344         1.269828654        0.7893059409    
H          2.020454644        -1.505046442        -1.417340464    
H         0.5815902036        -1.011815588        -1.659232974    
H         -1.888370348         2.128659821       -0.8894670678E-02
H        -0.4204555009         1.576019516       -0.1166286600    
H         -1.477202698       -0.2143668332        -1.156721162    
H         -2.023828269        -1.268514921        -2.172297235    
H         -1.091824939       -0.2300458236         1.124865673    
H        -0.9309776346        -1.563304316        0.4076380176    
    18
Energy=    -44.4188078762398    
O          1.648210149       -0.4731884998E-01     2.144324107    
O          1.337782925         1.637627170       -0.7892363319E-01
O          1.514969831       -0.7278518133        -1.702187768    
O         -1.385531058         1.315086008       -0.1255200968    
O         -1.328758696        -1.119376891        -1.520432732    
O        -0.7985246117        -1.140230979         1.282440631    
H          1.747753930       -0.2010722787E-01     3.094657490    
H         0.8450026518       -0.5843538735         1.962926677    
H          1.553087657        0.9395988499       -0.7326372583    
H          1.586177494         1.239802800        0.7857942388    
H          2.016711272        -1.486747787        -1.404238479    
H         0.5750921247        -1.004268973        -1.685255494    
H         -1.885072314         2.127954065       -0.1000878857E-01
H        -0.4208727481         1.571212781       -0.1169573732    
H         -1.483061232       -0.2128578767        -1.158125172    
H         -2.019900936        -1.269737134        -2.172021620    
H         -1.098873701       -0.2280763560         1.113695672    
H        -0.9081855406        -1.563850099        0.4133303682    
    18
Energy=    -44.4581282751094    
O          1.648560497       -0.4260437349E-01     2.144743831    
O          1.337028663         1.634914854       -0.7816528616E-01
O          1.513497756       -0.7263882591        -1.707311514    
O         -1.385520720         1.314318393       -0.1259076983    
O         -1.325903459        -1.117721967        -1.521647764    
O        -0.8044064420        -1.140077184         1.285838751    
H          1.751708737       -0.2081407652E-01     3.098607280    
H         0.8469328498       -0.5856939437         1.966821948    
H          1.554677912        0.9372544257       -0.7365365531    
H          1.583125783         1.233350700        0.7850396978    
H          2.015984605        -1.483111439        -1.401060321    
H         0.5753456971        -1.002430441        -1.691023486    
H         -1.884768358         2.128477056       -0.1001621141E-01
H        -0.4203709099         1.570531087       -0.1173740751    
H         -1.484500765       -0.2119914692        -1.157933244    
H         -2.019089101        -1.270607899        -2.172084291    
H         -1.101737961       -0.2259156516         1.112176666    
H        -0.9045575868        -1.564985999        0.4166930369    
    18
Energy=    -44.5030534532712    
O          1.653484988       -0.3422714478E-01     2.143416400    
O          1.335926327         1.630768521       -0.7906059087E-01
O          1.512061077       -0.7233551301        -1.705213107    
O         -1.385581670         1.314272908       -0.1264254844    
O         -1.320019013        -1.114107822        -1.524677912    
O        -0.8188458477        -1.137506877         1.296879525    
H          1.746115218       -0.2734420562E-01     3.098374484    
H         0.8627572750       -0.5888931458         1.954442324    
H          1.557544748        0.9367395022       -0.7404047108    
H          1.578030654         1.224912617        0.7845384859    
H          2.016123446        -1.478366325        -1.396535108    
H         0.5741202030        -1.000970153        -1.696098565    
H         -1.884116217         2.128374054       -0.9768147597E-02
H        -0.4197350669         1.569988551       -0.1181297836    
H         -1.486513206       -0.2107501239        -1.156761030    
H         -2.015668157        -1.272751995        -2.170169215    
H         -1.108081911       -0.2222860591         1.110571568    
H        -0.9015956505        -1.567993359        0.4258816363    
    18
Energy=    -44.5872500689048    
O          1.658258406       -0.3344003292E-01     2.145431955    
O          1.332807126         1.625068954       -0.8052473559E-01
O          1.512114157       -0.7156711399        -1.702102411    
O         -1.385819243         1.314637047       -0.1256306262    
O         -1.312077263        -1.109409850        -1.528893540    
O        -0.8192712397        -1.130093254         1.304232246    
H          1.740056295       -0.3310050097E-01     3.100581760    
H         0.8708142626       -0.5874579604         1.936819803    
H          1.559293162        0.9358883092       -0.7437008783    
H          1.575495505         1.216544631        0.7813199482    
H          2.012589668        -1.474431485        -1.391533273    
H         0.5749841146       -0.9995146973        -1.706357701    
H         -1.883675013         2.128610294       -0.9046715342E-02
H        -0.4191284112         1.568162206       -0.1216300023    
H         -1.486002934       -0.2099181778        -1.155615588    
H         -2.010814986        -1.276887373        -2.167635484    
H         -1.117960949       -0.2201823193         1.114520471    
H        -0.9056554633        -1.572300838        0.4406255376    
    18
Energy=    -44.7029429183515    
O          1.662777783       -0.3904677718E-01     2.157356237    
O          1.326122758         1.608983916       -0.8423423955E-01
O          1.514326410       -0.7037723841        -1.717175974    
O         -1.388226869         1.314031324       -0.1233337921    
O         -1.297339382        -1.102500316        -1.536323292    
O        -0.8008257245        -1.114153508         1.316082483    
H          1.742379809       -0.3908098498E-01     3.112046245    
H         0.8613876558       -0.5741735958         1.944767004    
H          1.559108025        0.9287203450       -0.7545677002    
H          1.572272554         1.192874677        0.7738902134    
H          2.002030717        -1.460132021        -1.381146999    
H         0.5782622156       -0.9874959280        -1.742275072    
H         -1.881260619         2.130949303       -0.7818159084E-02
H        -0.4197132309         1.560823140       -0.1301676379    
H         -1.482056458       -0.2085220016        -1.156904570    
H         -2.003173216        -1.284590519        -2.164833692    
H         -1.137983504       -0.2180177429         1.122318004    
H        -0.9120817285        -1.578393112        0.4631817092    
    18
Energy=    -44.7949971865524    
O          1.663087387       -0.4044056754E-01     2.177540849    
O          1.322111361         1.583014152       -0.8928761265E-01
O          1.520153721       -0.6946549897        -1.758708340    
O         -1.394839864         1.311831428       -0.1231215975    
O         -1.283717070        -1.097885005        -1.544655030    
O        -0.7965771059        -1.101620267         1.329497711    
H          1.759364443       -0.4270865494E-01     3.132012712    
H         0.8458648989       -0.5574806190         1.986507336    
H          1.556427902        0.9168110308       -0.7712114255    
H          1.564172161         1.155773063        0.7652276483    
H          1.990694155        -1.435159952        -1.367206200    
H         0.5789103440       -0.9647796044        -1.792245815    
H         -1.875892444         2.135352221       -0.7157700426E-02
H        -0.4228075887         1.548502842       -0.1362901196    
H         -1.477206174       -0.2064631926        -1.162489391    
H         -1.994858392        -1.290512392        -2.161614088    
H         -1.156236687       -0.2152220203         1.124598727    
H        -0.9026438524        -1.577853659        0.4894631046    
    18
Energy=    -44.8230149705134    
O          1.663037339       -0.4095865471E-01     2.184313849    
O          1.321886825         1.574830362       -0.9026172452E-01
O          1.523804235       -0.6934113309        -1.776151286    
O         -1.398285966         1.310692988       -0.1244184863    
O         -1.280105509        -1.097957472        -1.545715625    
O        -0.8025615327        -1.098635969         1.335996855    
H          1.765214421       -0.4390924005E-01     3.138099282    
H         0.8415722268       -0.5519721009         2.001478779    
H          1.554268685        0.9118983013       -0.7765878782    
H          1.561933632         1.144513805        0.7624700328    
H          1.986938860        -1.426195210        -1.363851165    
H         0.5796001855       -0.9556341799        -1.806243568    
H         -1.873870261         2.137932334       -0.6987061560E-02
H        -0.4256783195         1.542819595       -0.1359022053    
H         -1.473965499       -0.2063029194        -1.165990455    
H         -1.993318072        -1.291475863        -2.160837702    
H         -1.158693832       -0.2133420502         1.124795697    
H        -0.8957702232        -1.576388581        0.4966534293    
    18
Energy=    -44.8472243917880    
O          1.663835771       -0.4352061201E-01     2.189777677    
O          1.320831945         1.567994308       -0.9123577869E-01
O          1.528208931       -0.6920303386        -1.792550192    
O         -1.402904625         1.310296761       -0.1260991537    
O         -1.276232512        -1.099247433        -1.546195194    
O        -0.8090257398        -1.095924711         1.343972743    
H          1.768533358       -0.4564289617E-01     3.142800905    
H         0.8373607474       -0.5464030727         2.010444989    
H          1.551494135        0.9069796876       -0.7806133516    
H          1.561954533         1.135981500        0.7599238351    
H          1.982751276        -1.418504398        -1.361344818    
H         0.5816224881       -0.9468720419        -1.817215999    
H         -1.872166731         2.140489702       -0.6754625663E-02
H        -0.4286845928         1.536441803       -0.1345379499    
H         -1.469163198       -0.2059962793        -1.169490383    
H         -1.992118980        -1.292637688        -2.160011300    
H         -1.160298885       -0.2096908791         1.126379584    
H        -0.8899907269        -1.575209596        0.5036097812    
    18
Energy=    -44.8514956899101    
O          1.664151514       -0.4405984824E-01     2.190280688    
O          1.320446936         1.567052117       -0.9139556355E-01
O          1.528791219       -0.6917735637        -1.794662106    
O         -1.403324660         1.310093820       -0.1263737469    
O         -1.275746961        -1.099385127        -1.546409721    
O        -0.8099561859        -1.095213478         1.345192122    
H          1.768596253       -0.4606214669E-01     3.143335039    
H         0.8368195398       -0.5456387288         2.010861198    
H          1.551102388        0.9062910797       -0.7810815464    
H          1.562226935         1.134991485        0.7595700423    
H          1.982118215        -1.417489419        -1.360959351    
H         0.5821067966       -0.9456490030        -1.818639538    
H         -1.872127822         2.141083821       -0.6673307475E-02
H        -0.4292254806         1.535460375       -0.1343164533    
H         -1.468307403       -0.2060403729        -1.169958436    
H         -1.991673361        -1.292869490        -2.159668691    
H         -1.160554236       -0.2092299653         1.126883357    
H        -0.8894364896        -1.575057742        0.5048767823    
    18
Energy=    -44.8726321956834    
O          1.668038762       -0.4989888627E-01     2.192125721    
O          1.316772313         1.560731949       -0.9208711884E-01
O          1.533829291       -0.6890439318        -1.807245873    
O         -1.408217324         1.310035296       -0.1282777577    
O         -1.270519328        -1.100657018        -1.547513213    
O        -0.8160817138        -1.089589123         1.355654699    
H          1.765193138       -0.5062259993E-01     3.145848632    
H         0.8341609085       -0.5395802524         2.006487563    
H          1.547979703        0.9013466473       -0.7838715035    
H          1.565797386         1.129883552        0.7565784962    
H          1.977439730        -1.411163447        -1.358603688    
H         0.5859680486       -0.9369377364        -1.827614755    
H         -1.871405689         2.144358308       -0.6071612699E-02
H        -0.4329140422         1.527985838       -0.1325194388    
H         -1.460804644       -0.2063044017        -1.173216243    
H         -1.988517730        -1.295289944        -2.157078267    
H         -1.163085453       -0.2044892970         1.132222510    
H        -0.8876261583        -1.574261139        0.5160426165    
    18
Energy=    -44.8832035966970    
O          1.670742110       -0.5445039700E-01     2.189864773    
O          1.313521712         1.559223754       -0.9227233705E-01
O          1.536049208       -0.6877554552        -1.808895311    
O         -1.409827399         1.309884446       -0.1289347213    
O         -1.267378302        -1.101837225        -1.547651809    
O        -0.8164879986        -1.087136405         1.360446105    
H          1.759135416       -0.5379742450E-01     3.144106602    
H         0.8342638838       -0.5375270373         1.997494457    
H          1.546736542        0.9000415661       -0.7836465779    
H          1.570084006         1.131555742        0.7560968297    
H          1.976850308        -1.410705307        -1.357896941    
H         0.5874274817       -0.9343876386        -1.828768367    
H         -1.871908495         2.145804681       -0.5760592292E-02
H        -0.4344502085         1.525550794       -0.1313825927    
H         -1.457035149       -0.2062449957        -1.173694704    
H         -1.986954638        -1.296865864        -2.155585146    
H         -1.164691769       -0.2016788900         1.135758822    
H        -0.8900695128        -1.573170530        0.5215822779    
    18
Energy=    -44.8972645719508    
O          1.675095074       -0.6172913642E-01     2.182771177    
O          1.307645822         1.558444853       -0.9165670583E-01
O          1.538128175       -0.6866453840        -1.807621705    
O         -1.412800042         1.310802759       -0.1295452147    
O         -1.263480066        -1.102915735        -1.547090821    
O        -0.8171048653        -1.082648531         1.366214112    
H          1.747124833       -0.5887800152E-01     3.139121020    
H         0.8357452576       -0.5366660400         1.978391295    
H          1.545380259        0.8992475971       -0.7816481584    
H          1.578595025         1.138576277        0.7561209387    
H          1.977884473        -1.412488851        -1.357362431    
H         0.5899570187       -0.9325938694        -1.826463768    
H         -1.872832289         2.146155252       -0.5647226059E-02
H        -0.4356279212         1.523565178       -0.1289764867    
H         -1.451506901       -0.2072812477        -1.173665135    
H         -1.984259246        -1.299250105        -2.152867272    
H         -1.166105628       -0.1983877974         1.141816042    
H        -0.8958317816        -1.570803402        0.5289711063    
    18
Energy=    -44.9031495612778    
O          1.675624172       -0.6302595030E-01     2.177028151    
O          1.306617178         1.561391666       -0.9048188533E-01
O          1.537393117       -0.6880304201        -1.799958853    
O         -1.411437713         1.310884943       -0.1291772165    
O         -1.264262199        -1.103361713        -1.545618247    
O        -0.8160223720        -1.083643801         1.364625496    
H          1.741337998       -0.5949926538E-01     3.134009017    
H         0.8386939805       -0.5400031475         1.968804152    
H          1.545901822        0.9015526933       -0.7785765969    
H          1.581917542         1.146523000        0.7576924088    
H          1.981527494        -1.416982455        -1.359260892    
H         0.5890626555       -0.9363112930        -1.819079418    
H         -1.874064874         2.145118146       -0.5946141681E-02
H        -0.4352612714         1.526269547       -0.1277468816    
H         -1.452094567       -0.2078805015        -1.172075032    
H         -1.984329106        -1.299082168        -2.152414568    
H         -1.165045962       -0.1979213103         1.142373993    
H        -0.8995506994        -1.569494156        0.5266632811    
    18
Energy=    -44.9074187833324    
O          1.674321855       -0.6296729010E-01     2.175501817    
O          1.305789947         1.561447600       -0.9031434002E-01
O          1.536887381       -0.6891407522        -1.800732022    
O         -1.410907125         1.310606427       -0.1287617119    
O         -1.264123086        -1.103594502        -1.544609761    
O        -0.8167867254        -1.083332059         1.363493374    
H          1.741653468       -0.5866437401E-01     3.132314018    
H         0.8385590229       -0.5427870415         1.970269038    
H          1.546311173        0.9019611233       -0.7779702483    
H          1.583292519         1.148370485        0.7590867192    
H          1.984078074        -1.417557643        -1.359503298    
H         0.5883439083       -0.9376028989        -1.818125095    
H         -1.874543514         2.144156508       -0.6551649276E-02
H        -0.4349054364         1.527920910       -0.1267253954    
H         -1.453409389       -0.2078045164        -1.170997841    
H         -1.984013332        -1.299102922        -2.152182650    
H         -1.165123600       -0.1976139760         1.141746233    
H        -0.8994179453        -1.567791264        0.5249235798    
    18
Energy=    -44.9112635197621    
O          1.673746425       -0.6356299058E-01     2.174593834    
O          1.305419918         1.560954563       -0.8991746927E-01
O          1.537256713       -0.6900715600        -1.802197704    
O         -1.411145914         1.310267070       -0.1285679137    
O         -1.263772636        -1.103549998        -1.543679192    
O        -0.8182764433        -1.082653996         1.363532787    
H          1.741901454       -0.5830221459E-01     3.131395221    
H         0.8379960564       -0.5444292814         1.971298058    
H          1.546178902        0.9016915843       -0.7778519337    
H          1.584221513         1.149158942        0.7595177031    
H          1.985388691        -1.416900563        -1.360224920    
H         0.5883338849       -0.9378165564        -1.818307625    
H         -1.874868185         2.143772180       -0.7016805593E-02
H        -0.4350419472         1.528432678       -0.1257200454    
H         -1.453660181       -0.2081356410        -1.170655693    
H         -1.983264958        -1.299320323        -2.151595172    
H         -1.165464280       -0.1966202019         1.141750926    
H        -0.8989418162        -1.566409878        0.5245067124    
    18
Energy=    -44.9194905774363    
O          1.671986752       -0.6616028812E-01     2.174845287    
O          1.303708203         1.556155244       -0.8948717946E-01
O          1.539401064       -0.6911076036        -1.812701345    
O         -1.412366015         1.309491476       -0.1280144072    
O         -1.260409355        -1.103052378        -1.541921112    
O        -0.8237155597        -1.078502766         1.366747001    
H          1.744722377       -0.5775926358E-01     3.131440099    
H         0.8349122497       -0.5474666799         1.976981950    
H          1.545267563        0.8990932043       -0.7792394285    
H          1.586070420         1.146429417        0.7591806391    
H          1.987036549        -1.411269556        -1.360637470    
H         0.5896899339       -0.9358083282        -1.825024568    
H         -1.875647174         2.143345671       -0.8383865021E-02
H        -0.4364741062         1.527523263       -0.1231471064    
H         -1.453292153       -0.2084641446        -1.170018891    
H         -1.979679382        -1.301246573        -2.149313265    
H         -1.169067833       -0.1923631588         1.142457058    
H        -0.8961363359        -1.562333721        0.5270973704    
    18
Energy=    -44.9267703537144    
O          1.671268197       -0.7187584596E-01     2.172858236    
O          1.301475991         1.553120097       -0.8931555441E-01
O          1.542699162       -0.6912158158        -1.821409261    
O         -1.414458627         1.308409442       -0.1267141251    
O         -1.255734394        -1.102715195        -1.539435596    
O        -0.8287617271        -1.072391919         1.370540322    
H          1.744129525       -0.5823133953E-01     3.129135044    
H         0.8323583009       -0.5509892774         1.977553176    
H          1.544063354        0.8960723004       -0.7797526819    
H          1.589392634         1.144663054        0.7591378305    
H          1.989130033        -1.405884912        -1.362681495    
H         0.5923530638       -0.9354315829        -1.830950997    
H         -1.878013648         2.143262994       -0.1011163790E-01
H        -0.4372200994         1.526751988       -0.1200795291    
H         -1.452117567       -0.2085142022        -1.167983663    
H         -1.974509237        -1.304637200        -2.145986391    
H         -1.174133296       -0.1869805184         1.144955918    
H        -0.8959144683        -1.556908253        0.5311011729    
    18
Energy=    -44.9410732275038    
O          1.670802526       -0.8227114981E-01     2.172600553    
O          1.300099881         1.544611546       -0.8980246575E-01
O          1.548176646       -0.6882224695        -1.841087248    
O         -1.416764197         1.308855618       -0.1231565448    
O         -1.245095465        -1.100852273        -1.536211490    
O        -0.8373074887        -1.060232977         1.379719903    
H          1.746149925       -0.5939413428E-01     3.128099394    
H         0.8268585400       -0.5547326304         1.982350499    
H          1.541667492        0.8903669284       -0.7821713464    
H          1.590283412         1.134251826        0.7558659764    
H          1.990659160        -1.393020685        -1.364208603    
H         0.5993229628       -0.9339074377        -1.848018455    
H         -1.882066410         2.142815263       -0.1356132337E-01
H        -0.4406672851         1.523254566       -0.1165305184    
H         -1.449954336       -0.2077054940        -1.163607931    
H         -1.963820715        -1.312527587        -2.139807758    
H         -1.186816482       -0.1770645124         1.149315354    
H        -0.8955209717        -1.547720584        0.5410727722    
    18
Energy=    -44.9468045382517    
O          1.671658560       -0.8620196157E-01     2.171652878    
O          1.300828124         1.544019411       -0.9018453124E-01
O          1.549600377       -0.6864662634        -1.844022386    
O         -1.417796432         1.308930504       -0.1217377193    
O         -1.242633465        -1.100069062        -1.535130052    
O        -0.8383116837        -1.057542785         1.381949647    
H          1.745386414       -0.6005312550E-01     3.126958381    
H         0.8257691360       -0.5548166734         1.981501493    
H          1.540999300        0.8894417221       -0.7825326539    
H          1.589585644         1.131515713        0.7550104557    
H          1.991535844        -1.390885233        -1.364907183    
H         0.6013913357       -0.9346418376        -1.851325481    
H         -1.883651738         2.143224794       -0.1454018183E-01
H        -0.4410462620         1.522869646       -0.1160640009    
H         -1.448985690       -0.2079700613        -1.162103375    
H         -1.960703355        -1.314907613        -2.137890412    
H         -1.190315150       -0.1747056675         1.150920265    
H        -0.8973037616        -1.545237693        0.5433056245    
    18
Energy=    -44.9548746694376    
O          1.673651125       -0.9173324301E-01     2.167492679    
O          1.303216459         1.546328992       -0.9021869961E-01
O          1.550719076       -0.6849531507        -1.842500666    
O         -1.418613720         1.309353038       -0.1194806846    
O         -1.240464187        -1.100061916        -1.532593222    
O        -0.8399386152        -1.055539394         1.382879869    
H          1.742484129       -0.6070204392E-01     3.123131966    
H         0.8256080884       -0.5558934215         1.976540070    
H          1.540365334        0.8900120897       -0.7818328724    
H          1.588260437         1.131190151        0.7549510495    
H          1.995074359        -1.391167292        -1.367307993    
H         0.6035272024       -0.9379468376        -1.850518538    
H         -1.886008399         2.143502755       -0.1608241123E-01
H        -0.4416275407         1.524272089       -0.1151666842    
H         -1.448295054       -0.2084811530        -1.159448327    
H         -1.957489367        -1.317370835        -2.135482893    
H         -1.192956166       -0.1725387021         1.153125237    
H        -0.9015059652        -1.541767312        0.5433728884    
    18
Energy=    -44.9670407356865    
O          1.677217435       -0.1033477406         2.158714688    
O          1.306957512         1.550464099       -0.8995073858E-01
O          1.553126349       -0.6836670165        -1.840714430    
O         -1.420257103         1.310427142       -0.1152354420    
O         -1.236102478        -1.101169766        -1.526368437    
O        -0.8463429882        -1.051956257         1.384871418    
H          1.737455788       -0.6146386577E-01     3.114946477    
H         0.8247758031       -0.5590773892         1.966732173    
H          1.539050023        0.8913226249       -0.7811186358    
H          1.586416050         1.131177914        0.7557724232    
H          2.004282885        -1.391368338        -1.372557290    
H         0.6073853607       -0.9433702990        -1.848140897    
H         -1.890049181         2.144019960       -0.1958836126E-01
H        -0.4441363292         1.527609856       -0.1122365043    
H         -1.446541544       -0.2101010107        -1.154836414    
H         -1.951134984        -1.321689019        -2.130042860    
H         -1.197324814       -0.1671538450         1.157930494    
H        -0.9087705898        -1.534153235        0.5426831069    
    18
Energy=    -44.9701759625103    
O          1.680759353       -0.1177767900         2.149047545    
O          1.310874808         1.551666214       -0.8901365229E-01
O          1.556469101       -0.6830572901        -1.841880345    
O         -1.423553997         1.310766171       -0.1102881998    
O         -1.229571412        -1.104304838        -1.518102817    
O        -0.8564616372        -1.046818335         1.387755130    
H          1.733914647       -0.6170079320E-01     3.105714261    
H         0.8218316411       -0.5633444295         1.958426640    
H          1.537139364        0.8937704759       -0.7806998305    
H          1.583590511         1.129831163        0.7551666315    
H          2.016222289        -1.389558096        -1.379177441    
H         0.6126643132       -0.9480641511        -1.846911574    
H         -1.894815434         2.146065210       -0.2420643844E-01
H        -0.4463671125         1.532111763       -0.1082638595    
H         -1.444045940       -0.2112876946        -1.149464096    
H         -1.943763807        -1.327051550        -2.123308433    
H         -1.202750943       -0.1603107706         1.164302699    
H        -0.9161285480        -1.524432444        0.5417645475    
    18
Energy=    -44.9798298440423    
O          1.680148387       -0.1178822416         2.149173097    
O          1.310302019         1.552690439       -0.8881403120E-01
O          1.556732860       -0.6838792182        -1.841942598    
O         -1.422977515         1.311687166       -0.1104166036    
O         -1.230632652        -1.104657675        -1.517347638    
O        -0.8576809125        -1.047929390         1.387008737    
H          1.734719336       -0.6111028152E-01     3.105280324    
H         0.8215638304       -0.5637083965         1.959466717    
H          1.537324157        0.8937013225       -0.7813653012    
H          1.583777601         1.129928902        0.7560684619    
H          2.017293493        -1.389850098        -1.379912433    
H         0.6122167077       -0.9478328824        -1.845619720    
H         -1.894230913         2.145698531       -0.2446768911E-01
H        -0.4475325518         1.532383169       -0.1078309037    
H         -1.443762950       -0.2120766939        -1.150056363    
H         -1.944064876        -1.326433021        -2.123099720    
H         -1.201758486       -0.1601748943         1.164155145    
H        -0.9154303381        -1.524050923        0.5405812856    
    18
Energy=    -44.9836876952856    
O          1.679792786       -0.1192430467         2.149100364    
O          1.308912447         1.551428610       -0.8860550292E-01
O          1.557617289       -0.6843173452        -1.844133441    
O         -1.423253680         1.312213410       -0.1103322389    
O         -1.229915800        -1.105412188        -1.516269623    
O        -0.8600814047        -1.047442241         1.387768336    
H          1.735686945       -0.6096003783E-01     3.104865866    
H         0.8205351039       -0.5641775478         1.960631962    
H          1.537283406        0.8936633447       -0.7824566873    
H          1.583964179         1.128515123        0.7560045872    
H          2.018718879        -1.388452194        -1.380637260    
H         0.6127021168       -0.9466480533        -1.846440853    
H         -1.894010446         2.146168116       -0.2507579772E-01
H        -0.4484486801         1.532539426       -0.1071908188    
H         -1.442795845       -0.2125452514        -1.150311942    
H         -1.943406180        -1.326796536        -2.122139447    
H         -1.202353829       -0.1590774984         1.165046384    
H        -0.9149400903        -1.522952277        0.5410368826    
    18
Energy=    -45.0022322504992    
O          1.679835360       -0.1344639616         2.143414997    
O          1.301147058         1.543940787       -0.8737813281E-01
O          1.565047612       -0.6822117228        -1.855163569    
O         -1.426274935         1.316975222       -0.1068210684    
O         -1.222249711        -1.110828956        -1.506550819    
O        -0.8758418420        -1.042058238         1.394262107    
H          1.740164093       -0.6093731678E-01     3.097776210    
H         0.8130766605       -0.5684327802         1.963556922    
H          1.537390698        0.8967695246       -0.7892438448    
H          1.580802120         1.114838878        0.7528888487    
H          2.031917616        -1.379475312        -1.388696260    
H         0.6202104046       -0.9440186244        -1.850066250    
H         -1.896102985         2.151949439       -0.3140640548E-01
H        -0.4522741704         1.536719503       -0.1038507870    
H         -1.434825666       -0.2154752535        -1.147372920    
H         -1.935415836        -1.333488925        -2.112738875    
H         -1.211511947       -0.1508741822         1.174162388    
H        -0.9190873341        -1.512424266        0.5440882262    
    18
Energy=    -45.0461025398204    
O          1.676578401       -0.1717049913         2.123868028    
O          1.283847098         1.527198692       -0.8660796196E-01
O          1.586254127       -0.6682782185        -1.876562175    
O         -1.436475243         1.333926013       -0.1034974435    
O         -1.198864490        -1.120918551        -1.481358703    
O        -0.9096381404        -1.027035311         1.413584277    
H          1.751207056       -0.6576207285E-01     3.074217784    
H         0.7971102984       -0.5865883625         1.965817820    
H          1.536528389        0.9094312227       -0.8076620625    
H          1.565167680         1.070366138        0.7399748297    
H          2.069986099        -1.356741637        -1.414302957    
H         0.6455324817       -0.9403938182        -1.848908967    
H         -1.901733111         2.173339974       -0.5087021786E-01
H        -0.4602105533         1.547589011       -0.9841299321E-01
H         -1.412376371       -0.2214569513        -1.134259607    
H         -1.912798736        -1.354103123        -2.082054894    
H         -1.244097809       -0.1330903206         1.200607745    
H        -0.9400099811        -1.489273878        0.5572882660    
    18
Energy=    -45.0624301459488    
O          1.675240670       -0.1966037073         2.109105577    
O          1.277752444         1.519415474       -0.8580992551E-01
O          1.600717173       -0.6583368981        -1.889985051    
O         -1.444472356         1.343730647       -0.1035818441    
O         -1.181742305        -1.124684268        -1.466012426    
O        -0.9241043332        -1.014857939         1.426422160    
H          1.753919702       -0.7128024764E-01     3.056927897    
H         0.7853177960       -0.5984982636         1.965339513    
H          1.533205632        0.9148738870       -0.8178796957    
H          1.556616847         1.046905015        0.7314510968    
H          2.093626775        -1.343599451        -1.430660577    
H         0.6616760333       -0.9390435340        -1.846803629    
H         -1.905497933         2.186465158       -0.6328387589E-01
H        -0.4666430564         1.551414702       -0.9490482019E-01
H         -1.398701476       -0.2232448424        -1.124268572    
H         -1.897741841        -1.367964978        -2.061548406    
H         -1.265922393       -0.1235093685         1.217596422    
H        -0.9572401832        -1.474677570        0.5687569236    
    18
Energy=    -45.0739377855999    
O          1.672095102       -0.1935190043         2.105570618    
O          1.280796111         1.521237792       -0.8718308390E-01
O          1.601097246       -0.6571389058        -1.888198032    
O         -1.446133146         1.344485736       -0.1092226461    
O         -1.179965159        -1.121165910        -1.465277775    
O        -0.9238442865        -1.015336029         1.428962363    
H          1.753808057       -0.7458942234E-01     3.053776721    
H         0.7876536136       -0.6046180351         1.963316955    
H          1.531427716        0.9157143661       -0.8178279535    
H          1.554357646         1.046814468        0.7307259573    
H          2.096967396        -1.343294440        -1.433479731    
H         0.6640669817       -0.9392416859        -1.838990187    
H         -1.904254883         2.188947488       -0.6523344121E-01
H        -0.4674434537         1.549716791       -0.9535775422E-01
H         -1.399143993       -0.2210124657        -1.121977508    
H         -1.897081876        -1.368193842        -2.057435902    
H         -1.268295679       -0.1254008836         1.216803631    
H        -0.9601001959        -1.476902204        0.5718885363    
    18
Energy=    -45.0769634907140    
O          1.671340027       -0.1916101832         2.105299472    
O          1.281393512         1.521479965       -0.8759116036E-01
O          1.601122107       -0.6571921836        -1.888969628    
O         -1.446617890         1.343858664       -0.1115055336    
O         -1.179415315        -1.119449891        -1.465621008    
O        -0.9240057576        -1.015625744         1.429977675    
H          1.754445291       -0.7585355368E-01     3.054135667    
H         0.7876296308       -0.6056726403         1.964326279    
H          1.530930317        0.9147257504       -0.8183683536    
H          1.554300610         1.047511875        0.7309605527    
H          2.097082071        -1.342717789        -1.433532312    
H         0.6637681796       -0.9382379719        -1.837907057    
H         -1.903168432         2.189166935       -0.6553347404E-01
H        -0.4678928845         1.548126680       -0.9588368721E-01
H         -1.399865023       -0.2195907147        -1.122058850    
H         -1.897142948        -1.367639964        -2.056453161    
H         -1.268265275       -0.1263401884         1.215849613    
H        -0.9596310263        -1.478435231        0.5737357355    
    18
Energy=    -45.0909666341840    
O          1.666739724       -0.2000485456         2.096136664    
O          1.276672944         1.521703505       -0.9043505111E-01
O          1.607054631       -0.6533499230        -1.890933904    
O         -1.449747942         1.346443705       -0.1195764175    
O         -1.171391844        -1.113214245        -1.453482748    
O        -0.9383046881        -1.016969057         1.438654707    
H          1.759803850       -0.8620721759E-01     3.044258507    
H         0.7811885595       -0.6135976678         1.962627256    
H          1.529670754        0.9168004968       -0.8227459023    
H          1.549020576         1.046951136        0.7278100364    
H          2.115731067        -1.336680425        -1.447076462    
H         0.6702984617       -0.9359571626        -1.823568390    
H         -1.900112139         2.194868329       -0.7623206069E-01
H        -0.4707202075         1.544904649       -0.1013018799    
H         -1.397103285       -0.2112442128        -1.118054759    
H         -1.890209136        -1.370602371        -2.039472462    
H         -1.274721613       -0.1263713103         1.220849566    
H        -0.9678625165        -1.480925870        0.5834040680    
    18
Energy=    -45.0975393093979    
O          1.664537093       -0.2076371533         2.093766287    
O          1.272315373         1.518961571       -0.9280839712E-01
O          1.611042556       -0.6491723406        -1.896426770    
O         -1.451089364         1.347146600       -0.1205214487    
O         -1.165772844        -1.109843657        -1.446630960    
O        -0.9466489179        -1.015843639         1.445420400    
H          1.764552109       -0.9306284313E-01     3.040666811    
H         0.7747884269       -0.6139933872         1.965609288    
H          1.529778211        0.9166808413       -0.8256328540    
H          1.545615391         1.043972427        0.7248414727    
H          2.123825989        -1.330284438        -1.454444487    
H         0.6758246454       -0.9344063039        -1.822819909    
H         -1.899133575         2.197107969       -0.8314324717E-01
H        -0.4713082713         1.543401745       -0.1061580622    
H         -1.394931990       -0.2068321578        -1.115714104    
H         -1.884377960        -1.373685455        -2.029882788    
H         -1.280953165       -0.1251843055         1.224391839    
H        -0.9720565106        -1.480821661        0.5903476973    
    18
Energy=    -45.1009741579474    
O          1.663247559       -0.2158941089         2.089573810    
O          1.270877588         1.518437541       -0.9427436522E-01
O          1.614124091       -0.6459242523        -1.900001126    
O         -1.451574442         1.348172577       -0.1181158949    
O         -1.161151879        -1.108434676        -1.440305077    
O        -0.9550219965        -1.013859825         1.450168881    
H          1.767097897       -0.9839142764E-01     3.035923410    
H         0.7702884889       -0.6149296956         1.965798331    
H          1.530255545        0.9171421096       -0.8266833737    
H          1.542425100         1.042422382        0.7231995780    
H          2.132472088        -1.325987434        -1.461402488    
H         0.6804605577       -0.9359273801        -1.822624565    
H         -1.900965045         2.197882647       -0.8954751198E-01
H        -0.4712293111         1.544489296       -0.1087230679    
H         -1.393122928       -0.2051931419        -1.111670332    
H         -1.878466006        -1.377467769        -2.022462205    
H         -1.287019109       -0.1224091510         1.228092426    
H        -0.9766910016        -1.477623877        0.5939143380    
    18
Energy=    -45.1022813072630    
O          1.662976124       -0.2152114830         2.091661344    
O          1.270404453         1.517230427       -0.9481522852E-01
O          1.613985669       -0.6452205592        -1.901959591    
O         -1.451092649         1.347548795       -0.1170083006    
O         -1.161228018        -1.108354633        -1.441632124    
O        -0.9538336328        -1.013433277         1.450843043    
H          1.768172468       -0.9981391808E-01     3.037967043    
H         0.7689694436       -0.6119362426         1.968708074    
H          1.530771738        0.9160155072       -0.8267368931    
H          1.542677523         1.042208162        0.7229002100    
H          2.129941536        -1.324950403        -1.460708150    
H         0.6805196557       -0.9348311140        -1.826365008    
H         -1.900819930         2.196972069       -0.8966645834E-01
H        -0.4704982329         1.544043951       -0.1100024121    
H         -1.392966038       -0.2054524847        -1.112050013    
H         -1.878664863        -1.377386950        -2.023355941    
H         -1.287593751       -0.1227213109         1.227873403    
H        -0.9757143011        -1.478202722        0.5952077711    
    18
Energy=    -45.1056991546114    
O          1.660889361       -0.2162132802         2.091099114    
O          1.271053023         1.515971762       -0.9563476295E-01
O          1.615863541       -0.6428993035        -1.906596950    
O         -1.450967290         1.347498162       -0.1143786804    
O         -1.158359389        -1.110708179        -1.442105554    
O        -0.9564132922        -1.010809005         1.454675432    
H          1.770974500       -0.1061335534         3.037712736    
H         0.7650946193       -0.6087831678         1.971451084    
H          1.531920595        0.9154038380       -0.8277285678    
H          1.541911987         1.040575692        0.7225354595    
H          2.131019224        -1.322536462        -1.463751754    
H         0.6824677330       -0.9329544830        -1.831055181    
H         -1.901644665         2.196677362       -0.9354490801E-01
H        -0.4708497991         1.546347115       -0.1098852669    
H         -1.390109855       -0.2090234087        -1.109611011    
H         -1.877478655        -1.379020512        -2.021885457    
H         -1.292420750       -0.1209696895         1.230594677    
H        -0.9769436919        -1.475919071        0.5989703585    
    18
Energy=    -45.1088692614725    
O          1.657565770       -0.2166352572         2.089361908    
O          1.271800489         1.515815895       -0.9688591970E-01
O          1.618139517       -0.6403842551        -1.910770106    
O         -1.450838771         1.347606201       -0.1132356085    
O         -1.154776951        -1.112290918        -1.441406801    
O        -0.9614022213        -1.008600567         1.459554146    
H          1.774985651       -0.1152081869         3.036305417    
H         0.7604210732       -0.6065967343         1.973167268    
H          1.533289490        0.9149768678       -0.8286185710    
H          1.540903088         1.040517345        0.7220526726    
H          2.134276965        -1.320008772        -1.469041800    
H         0.6848039517       -0.9306965679        -1.833238540    
H         -1.902368745         2.196504350       -0.9928546330E-01
H        -0.4711191740         1.548024570       -0.1100671492    
H         -1.387030538       -0.2117787698        -1.106360648    
H         -1.876078984        -1.380680002        -2.018609476    
H         -1.297736679       -0.1193153407         1.233690819    
H        -0.9788267366        -1.474746043        0.6042486202    
    18
Energy=    -45.1174045925031    
O          1.646650204       -0.2140077201         2.082755897    
O          1.275169755         1.521106064       -0.1001224050    
O          1.622972301       -0.6337134710        -1.915376256    
O         -1.449124212         1.347367485       -0.1136083400    
O         -1.147653665        -1.116394066        -1.435369560    
O        -0.9775097629        -1.005316318         1.471439322    
H          1.787419561       -0.1456071640         3.029816208    
H         0.7474969994       -0.6016062841         1.973827410    
H          1.538107870        0.9172371940       -0.8294008541    
H          1.539147922         1.047191301        0.7213655046    
H          2.145729650        -1.317230426        -1.488151786    
H         0.6906931616       -0.9265871528        -1.831797497    
H         -1.904265580         2.194323629       -0.1180761453    
H        -0.4704577437         1.551583948       -0.1097345645    
H         -1.378662218       -0.2167192928        -1.097232708    
H         -1.873037076        -1.384036547        -2.008256852    
H         -1.310421961       -0.1161917533         1.240713406    
H        -0.9862480092        -1.474895611        0.6180699887    
    18
Energy=    -45.1229230314200    
O          1.639599985       -0.2065285491         2.080909220    
O          1.277973351         1.528603102       -0.1006923342    
O          1.622945968       -0.6305435555        -1.912271216    
O         -1.446344131         1.345443258       -0.1167482982    
O         -1.148002964        -1.119611630        -1.428173535    
O        -0.9855532302        -1.005573842         1.474985302    
H          1.795831757       -0.1655856761         3.026388177    
H         0.7414266425       -0.5984835706         1.973836709    
H          1.541471781        0.9229962005       -0.8283690709    
H          1.540594136         1.055055205        0.7212637106    
H          2.149899963        -1.319980213        -1.500573187    
H         0.6921594356       -0.9266766714        -1.828374205    
H         -1.904695290         2.190477874       -0.1294046578    
H        -0.4681282982         1.551752000       -0.1075870729    
H         -1.374700066       -0.2169697321        -1.094595222    
H         -1.872263388        -1.384097631        -2.003825906    
H         -1.315005340       -0.1161643445         1.240710349    
H        -0.9912031150        -1.477608409        0.6233820051    
    18
Energy=    -45.1254876857491    
O          1.638066259       -0.2057700667         2.082719639    
O          1.277924612         1.529642467       -0.9879492418E-01
O          1.622093598       -0.6280123134        -1.918322513    
O         -1.446047568         1.343772700       -0.1169756411    
O         -1.144461121        -1.123577892        -1.423712315    
O        -0.9893530393        -1.000835011         1.478496289    
H          1.799291873       -0.1771672305         3.027670693    
H         0.7386024949       -0.5942022127         1.976667506    
H          1.539986790        0.9285071423       -0.8302409919    
H          1.543021485         1.052651915        0.7206133606    
H          2.150056715        -1.317222288        -1.506800034    
H         0.6919432907       -0.9261529376        -1.833635025    
H         -1.903218215         2.189401208       -0.1348586316    
H        -0.4677232105         1.549564016       -0.1060704644    
H         -1.369850980       -0.2191810219        -1.094217437    
H         -1.866961527        -1.387903910        -2.001443677    
H         -1.320880762       -0.1125740524         1.242185690    
H        -0.9964834974        -1.474436697        0.6275792450    
    18
Energy=    -45.1268117645361    
O          1.637797195       -0.2033315565         2.085591666    
O          1.278500302         1.532326339       -0.9744256642E-01
O          1.616632083       -0.6261779060        -1.917575864    
O         -1.444027476         1.343485281       -0.1210747016    
O         -1.144649191        -1.126021585        -1.422987438    
O        -0.9901385486        -1.000728749         1.477275759    
H          1.801432983       -0.1828874476         3.030344053    
H         0.7391455718       -0.5934832061         1.977644614    
H          1.539990728        0.9310135795       -0.8289628993    
H          1.543509682         1.055467216        0.7219254735    
H          2.149717674        -1.314984140        -1.512684966    
H         0.6881106029       -0.9278265400        -1.827809171    
H         -1.900093596         2.189866294       -0.1370793819    
H        -0.4654133280         1.548308385       -0.1076075822    
H         -1.371233798       -0.2217316044        -1.093536043    
H         -1.865312857        -1.390706253        -2.002933151    
H         -1.319310570       -0.1115920380         1.241303575    
H        -0.9986502612        -1.474492254        0.6264693924    
    18
Energy=    -45.1290524710676    
O          1.639176890       -0.2065365603         2.090993044    
O          1.281170179         1.531213638       -0.8995754369E-01
O          1.610556422       -0.6159147310        -1.920891555    
O         -1.441805184         1.343642378       -0.1326235284    
O         -1.149392755        -1.135280860        -1.417795309    
O        -0.9892904715       -0.9927834055         1.480699165    
H          1.802270105       -0.1911655338         3.035941080    
H         0.7388879004       -0.5924922219         1.981072475    
H          1.540882889        0.9300724103       -0.8223570532    
H          1.545460229         1.053181562        0.7289921991    
H          2.150975525        -1.306821826        -1.529326566    
H         0.6845069040       -0.9239659165        -1.827436332    
H         -1.897338628         2.190451701       -0.1435594443    
H        -0.4631542645         1.547870477       -0.1141378515    
H         -1.378229568       -0.2287400593        -1.096128335    
H         -1.863234272        -1.402046490        -2.005183938    
H         -1.315885242       -0.1038503621         1.240624843    
H        -0.9995494624        -1.470330385        0.6319354196    
    18
Energy=    -45.1311967110157    
O          1.638774373       -0.2058911233         2.109172383    
O          1.282018418         1.523740635       -0.7788382860E-01
O          1.604838401       -0.6034136267        -1.933978678    
O         -1.441455468         1.344115704       -0.1380693125    
O         -1.147731964        -1.137503733        -1.417276111    
O        -0.9873955941       -0.9883459793         1.481733445    
H          1.795405916       -0.1849110724         3.055003495    
H         0.7388666139       -0.5912802976         1.995100576    
H          1.542454301        0.9232774374       -0.8106209044    
H          1.546287005         1.046434864        0.7415576842    
H          2.154438425        -1.307964996        -1.581684111    
H         0.6814759502       -0.9185486689        -1.837745125    
H         -1.893297147         2.192169175       -0.1712155190    
H        -0.4622527218         1.544931729       -0.1140334887    
H         -1.375278348       -0.2300742689        -1.097096669    
H         -1.873614775        -1.413613894        -1.985235668    
H         -1.316640908       -0.1008578846         1.240228606    
H        -0.9908852819        -1.465760185        0.6329039930    
    18
Energy=    -45.1322887599307    
O          1.633128942       -0.1972567214         2.122631421    
O          1.285402127         1.519050062       -0.7979023298E-01
O          1.603903446       -0.6005501782        -1.942906103    
O         -1.438097790         1.341883286       -0.1356693122    
O         -1.146737165        -1.137209750        -1.418239054    
O        -0.9874856762       -0.9911099261         1.482945743    
H          1.781341603       -0.1689357240         3.069624517    
H         0.7368741110       -0.5897269051         2.003766574    
H          1.546728461        0.9177000965       -0.8115853391    
H          1.548727340         1.043836660        0.7411281213    
H          2.153547003        -1.315738126        -1.612918095    
H         0.6799801987       -0.9136581199        -1.844369650    
H         -1.890004582         2.190112905       -0.1646124740    
H        -0.4586399025         1.542321574       -0.1140469763    
H         -1.375597980       -0.2308839479        -1.095735652    
H         -1.873509283        -1.414095840        -1.984736567    
H         -1.313759560       -0.1022847215         1.242108955    
H        -0.9897940966        -1.466950809        0.6332648914    
    18
Energy=    -45.1333906478867    
O          1.625122364       -0.1911619307         2.132741940    
O          1.289637381         1.512976153       -0.7931537011E-01
O          1.601733751       -0.5958063601        -1.956445424    
O         -1.433739244         1.340368935       -0.1333423029    
O         -1.144122356        -1.139760768        -1.415465557    
O        -0.9923293841       -0.9907484389         1.487900177    
H          1.766707568       -0.1501641152         3.080285166    
H         0.7294514571       -0.5843277683         2.012914747    
H          1.551430961        0.9114040681       -0.8107844436    
H          1.549752539         1.037913384        0.7428132772    
H          2.159607006        -1.317646455        -1.656665754    
H         0.6805645630       -0.9145640263        -1.850554562    
H         -1.883827751         2.189673247       -0.1581958706    
H        -0.4538966662         1.538785829       -0.1110490075    
H         -1.370630452       -0.2328398909        -1.093160109    
H         -1.871126795        -1.413966393        -1.982927168    
H         -1.317621700       -0.1030383577         1.241526631    
H        -0.9907060454        -1.470593297        0.6405843989    
