    18
Energy=    -6256.57151885666    
O         -1.042253870         1.497816452       -0.7091344826    
O          2.721436822        -1.405688172        0.1893301949    
O          1.736585787         1.008576178       -0.9011842203    
O         -2.789523093       -0.4405460986        0.4010275922    
O          1.176597972        -2.818664259         2.085991394    
O         -1.634399751        -2.416433278         2.058397293    
H          1.746214267        -2.703552309         2.863002001    
H          3.105516619        -1.814707967       -0.6022238361    
H          2.358194577       -0.4974070744       -0.1801399400    
H         0.7045319952         1.160887371       -0.8791662072    
H         -1.675039008        0.7782621857       -0.2917334232    
H         -1.638353954         2.021163660        -1.269337708    
H         -2.364145529        -1.121892122         1.065651916    
H         -3.273541489        -1.038554570       -0.1892629098    
H          1.726007640        -2.326145293         1.347174569    
H        -0.5997392831        -2.558306992         2.064332562    
H         -1.903783795        -2.717876009         2.941251637    
H          2.064726077         1.855564853       -0.5626520336    
    18
Energy=    -6256.57151885687    
O         -1.042253868         1.497816428       -0.7091345071    
O          2.721436833        -1.405688179        0.1893301870    
O          1.736585787         1.008576165       -0.9011842241    
O         -2.789523101       -0.4405461058        0.4010275762    
O          1.176597966        -2.818664254         2.085991396    
O         -1.634399754        -2.416433263         2.058397291    
H          1.746214267        -2.703552299         2.863001999    
H          3.105516685        -1.814707964       -0.6022238251    
H          2.358194583       -0.4974070826       -0.1801399509    
H         0.7045319949         1.160887353       -0.8791662246    
H         -1.675039013        0.7782621737       -0.2917334450    
H         -1.638353962         2.021163729        -1.269337636    
H         -2.364145531        -1.121892116         1.065651910    
H         -3.273541520        -1.038554592       -0.1892628960    
H          1.726007652        -2.326145300         1.347174586    
H        -0.5997392914        -2.558306988         2.064332549    
H         -1.903783798        -2.717875992         2.941251639    
H          2.064726053         1.855564844       -0.5626520266    
    18
Energy=    -6256.57151885732    
O         -1.042253847         1.497816428       -0.7091344625    
O          2.721436842        -1.405688179        0.1893301696    
O          1.736585796         1.008576166       -0.9011842708    
O         -2.789523117       -0.4405461081        0.4010275856    
O          1.176597977        -2.818664241         2.085991403    
O         -1.634399761        -2.416433262         2.058397277    
H          1.746214213        -2.703552222         2.863002041    
H          3.105516708        -1.814707978       -0.6022238285    
H          2.358194599       -0.4974070892       -0.1801399860    
H         0.7045319996         1.160887325       -0.8791662418    
H         -1.675039005        0.7782621674       -0.2917334298    
H         -1.638353925         2.021163770        -1.269337576    
H         -2.364145527        -1.121892109         1.065651914    
H         -3.273541512        -1.038554627       -0.1892628693    
H          1.726007663        -2.326145281         1.347174594    
H        -0.5997392998        -2.558307000         2.064332562    
H         -1.903783856        -2.717876057         2.941251586    
H          2.064726034         1.855564854       -0.5626520703    
    18
Energy=    -6256.57151885699    
O         -1.042253847         1.497816409       -0.7091344405    
O          2.721436870        -1.405688172        0.1893301531    
O          1.736585806         1.008576187       -0.9011842766    
O         -2.789523125       -0.4405461426        0.4010275663    
O          1.176597937        -2.818664220         2.085991353    
O         -1.634399787        -2.416433255         2.058397289    
H          1.746214176        -2.703552325         2.863002008    
H          3.105516803        -1.814707974       -0.6022238126    
H          2.358194629       -0.4974070900       -0.1801400206    
H         0.7045320075         1.160887314       -0.8791662459    
H         -1.675039025        0.7782621541       -0.2917334284    
H         -1.638353907         2.021163775        -1.269337549    
H         -2.364145529        -1.121892113         1.065651928    
H         -3.273541500        -1.038554706       -0.1892628613    
H          1.726007659        -2.326145258         1.347174569    
H        -0.5997393220        -2.558306991         2.064332559    
H         -1.903783863        -2.717875914         2.941251648    
H          2.064726002         1.855564879       -0.5626520414    
    18
Energy=    -6256.57151885698    
O         -1.042253850         1.497816416       -0.7091344272    
O          2.721436880        -1.405688174        0.1893301426    
O          1.736585812         1.008576203       -0.9011842771    
O         -2.789523116       -0.4405461587        0.4010275601    
O          1.176597913        -2.818664199         2.085991342    
O         -1.634399796        -2.416433267         2.058397290    
H          1.746214152        -2.703552365         2.863002007    
H          3.105516815        -1.814707983       -0.6022238158    
H          2.358194646       -0.4974070943       -0.1801400400    
H         0.7045320138         1.160887317       -0.8791662462    
H         -1.675039036        0.7782621630       -0.2917334200    
H         -1.638353902         2.021163764        -1.269337557    
H         -2.364145522        -1.121892113         1.065651943    
H         -3.273541481        -1.038554741       -0.1892628568    
H          1.726007654        -2.326145252         1.347174558    
H        -0.5997393236        -2.558306982         2.064332559    
H         -1.903783865        -2.717875874         2.941251666    
H          2.064725992         1.855564897       -0.5626520292    
    18
Energy=    -6256.57151885772    
O         -1.042253873         1.497816444       -0.7091344474    
O          2.721436883        -1.405688158        0.1893301633    
O          1.736585811         1.008576267       -0.9011842343    
O         -2.789523079       -0.4405461823        0.4010275405    
O          1.176597873        -2.818664232         2.085991314    
O         -1.634399798        -2.416433280         2.058397308    
H          1.746214163        -2.703552573         2.863001973    
H          3.105516734        -1.814707980       -0.6022238266    
H          2.358194666       -0.4974070742       -0.1801400030    
H         0.7045320153         1.160887374       -0.8791662321    
H         -1.675039040        0.7782621748       -0.2917334414    
H         -1.638353921         2.021163680        -1.269337676    
H         -2.364145477        -1.121892104         1.065651956    
H         -3.273541454        -1.038554786       -0.1892628495    
H          1.726007634        -2.326145288         1.347174544    
H        -0.5997393174        -2.558306984         2.064332557    
H         -1.903783824        -2.717875714         2.941251759    
H          2.064725987         1.855564972       -0.5626520059    
    18
Energy=    -6256.57151885761    
O         -1.042253895         1.497816541       -0.7091344007    
O          2.721436846        -1.405688233        0.1893301333    
O          1.736585756         1.008576227       -0.9011843007    
O         -2.789523060       -0.4405460849        0.4010276254    
O          1.176597918        -2.818664159         2.085991499    
O         -1.634399726        -2.416433292         2.058397184    
H          1.746214087        -2.703552200         2.863002211    
H          3.105516592        -1.814708113       -0.6022238837    
H          2.358194629       -0.4974071610       -0.1801400379    
H         0.7045319622         1.160887405       -0.8791662531    
H         -1.675039039        0.7782622462       -0.2917333747    
H         -1.638353962         2.021163713        -1.269337664    
H         -2.364145400        -1.121892018         1.065651992    
H         -3.273541363        -1.038554710       -0.1892628106    
H          1.726007682        -2.326145327         1.347174673    
H        -0.5997392263        -2.558306927         2.064332513    
H         -1.903783866        -2.717876257         2.941251412    
H          2.064726050         1.855564907       -0.5626521187    
    18
Energy=    -6256.57151886401    
O         -1.042254016         1.497816636       -0.7091343358    
O          2.721436898        -1.405688283        0.1893301903    
O          1.736585707         1.008576238       -0.9011843464    
O         -2.789523100       -0.4405460853        0.4010276545    
O          1.176597990        -2.818664303         2.085991559    
O         -1.634399611        -2.416433180         2.058397098    
H          1.746213987        -2.703552054         2.863002337    
H          3.105516429        -1.814708245       -0.6022238715    
H          2.358194662       -0.4974072241       -0.1801399348    
H         0.7045319589         1.160887504       -0.8791662673    
H         -1.675039092        0.7782622968       -0.2917333392    
H         -1.638354095         2.021163796        -1.269337593    
H         -2.364145366        -1.121892029         1.065651969    
H         -3.273541265        -1.038554738       -0.1892628431    
H          1.726007745        -2.326145443         1.347174783    
H        -0.5997391291        -2.558306891         2.064332480    
H         -1.903783877        -2.717876369         2.941251219    
H          2.064726157         1.855564929       -0.5626523594    
    18
Energy=    -6256.57151886347    
O         -1.042254163         1.497816608       -0.7091345260    
O          2.721436931        -1.405688234        0.1893302703    
O          1.736585664         1.008576350       -0.9011842834    
O         -2.789523033       -0.4405459968        0.4010278177    
O          1.176598111        -2.818664488         2.085991573    
O         -1.634399577        -2.416433085         2.058396922    
H          1.746214036        -2.703552432         2.863002453    
H          3.105516172        -1.814708450       -0.6022238342    
H          2.358194697       -0.4974071947       -0.1801398491    
H         0.7045319092         1.160887653       -0.8791662523    
H         -1.675039204        0.7782622481       -0.2917334581    
H         -1.638354322         2.021163774        -1.269337703    
H         -2.364145212        -1.121892155         1.065651900    
H         -3.273541273        -1.038554596       -0.1892626823    
H          1.726007890        -2.326145361         1.347175048    
H        -0.5997391371        -2.558306898         2.064332377    
H         -1.903783836        -2.717876223         2.941251085    
H          2.064726330         1.855565037       -0.5626524591    
    18
Energy=    -6256.57151885824    
O         -1.042254306         1.497816543       -0.7091343874    
O          2.721437081        -1.405688419        0.1893304103    
O          1.736585915         1.008575807       -0.9011847073    
O         -2.789523191       -0.4405459614        0.4010280603    
O          1.176598585        -2.818664180         2.085992314    
O         -1.634399274        -2.416433470         2.058395958    
H          1.746213423        -2.703550395         2.863003694    
H          3.105515244        -1.814709531       -0.6022237631    
H          2.358194973       -0.4974073690       -0.1801400525    
H         0.7045322048         1.160887326       -0.8791662295    
H         -1.675039569        0.7782623914       -0.2917332823    
H         -1.638354838         2.021165298        -1.269335721    
H         -2.364145458        -1.121892759         1.065651626    
H         -3.273541512        -1.038554121       -0.1892627548    
H          1.726008581        -2.326144906         1.347175967    
H        -0.5997387468        -2.558306869         2.064332128    
H         -1.903784087        -2.717877814         2.941249515    
H          2.064726957         1.855564984       -0.5626543785    
    18
Energy=    -6256.57151883877    
O         -1.042254331         1.497816293       -0.7091345618    
O          2.721437168        -1.405688082        0.1893306600    
O          1.736586363         1.008576029       -0.9011844896    
O         -2.789523030       -0.4405465599        0.4010277345    
O          1.176598579        -2.818664692         2.085991849    
O         -1.634399494        -2.416434162         2.058395907    
H          1.746212807        -2.703551337         2.863003759    
H          3.105514143        -1.814709829       -0.6022238051    
H          2.358195345       -0.4974068090       -0.1801400017    
H         0.7045325099         1.160887360       -0.8791657740    
H         -1.675039741        0.7782621014       -0.2917336241    
H         -1.638355144         2.021165823        -1.269334905    
H         -2.364145525        -1.121893741         1.065651181    
H         -3.273541565        -1.038554345       -0.1892632180    
H          1.726008939        -2.326144662         1.347175961    
H        -0.5997387240        -2.558307207         2.064331952    
H         -1.903783614        -2.717875300         2.941250852    
H          2.064727296         1.855565676       -0.5626550787    
    18
Energy=    -6256.57151889304    
O         -1.042254868         1.497818490       -0.7091335920    
O          2.721436421        -1.405688275        0.1893307129    
O          1.736585482         1.008575694       -0.9011846284    
O         -2.789522439       -0.4405463344        0.4010263011    
O          1.176599767        -2.818665020         2.085993082    
O         -1.634398972        -2.416434469         2.058396474    
H          1.746213896        -2.703551860         2.863005791    
H          3.105510318        -1.814711249       -0.6022247792    
H          2.358194374       -0.4974066286       -0.1801406666    
H         0.7045324905         1.160886963       -0.8791666077    
H         -1.675038798        0.7782641433       -0.2917327777    
H         -1.638357390         2.021166836        -1.269333651    
H         -2.364145297        -1.121893086         1.065650914    
H         -3.273537886        -1.038555875       -0.1892660783    
H          1.726009533        -2.326143810         1.347177467    
H        -0.5997381026        -2.558307626         2.064332551    
H         -1.903784758        -2.717876524         2.941250082    
H          2.064728213         1.855565188       -0.5626561943    
    18
Energy=    -6256.57151890122    
O         -1.042258021         1.497816836       -0.7091448734    
O          2.721439073        -1.405686034        0.1893350269    
O          1.736585682         1.008576189       -0.9011783156    
O         -2.789521603       -0.4405459294        0.4010268205    
O          1.176600439        -2.818670902         2.085991021    
O         -1.634396719        -2.416429560         2.058395437    
H          1.746220752        -2.703573493         2.863000796    
H          3.105513603        -1.814707765       -0.6022203021    
H          2.358194919       -0.4974058194       -0.1801350978    
H         0.7045320214         1.160886551       -0.8791664310    
H         -1.675042506        0.7782654603       -0.2917380127    
H         -1.638361485         2.021166136        -1.269342963    
H         -2.364144008        -1.121892907         1.065650745    
H         -3.273547554        -1.038552959       -0.1892587985    
H          1.726010630        -2.326146734         1.347178900    
H        -0.5997375442        -2.558309726         2.064328727    
H         -1.903779556        -2.717861391         2.941253752    
H          2.064723860         1.855568605       -0.5626520332    
    18
Energy=    -6256.57151885372    
O         -1.042264075         1.497819864       -0.7091547734    
O          2.721444558        -1.405681192        0.1893437814    
O          1.736577959         1.008575364       -0.9011734536    
O         -2.789522967       -0.4405416584        0.4010281355    
O          1.176601229        -2.818682747         2.085985033    
O         -1.634394741        -2.416414269         2.058398503    
H          1.746235522        -2.703621781         2.862990570    
H          3.105529340        -1.814694490       -0.6022110647    
H          2.358192604       -0.4974051519       -0.1801256111    
H         0.7045243561         1.160886523       -0.8791705014    
H         -1.675046044        0.7782708978       -0.2917392264    
H         -1.638369186         2.021155205        -1.269364223    
H         -2.364140580        -1.121886098         1.065653394    
H         -3.273549479        -1.038551759       -0.1892538767    
H          1.726009607        -2.326149506         1.347179456    
H        -0.5997377415        -2.558312045         2.064321097    
H         -1.903775570        -2.717836752         2.941260719    
H          2.064717192         1.855566151       -0.5626435615    
    18
Energy=    -6256.57151863207    
O         -1.042266462         1.497823781       -0.7091468603    
O          2.721448618        -1.405683521        0.1893465697    
O          1.736567388         1.008567948       -0.9011828186    
O         -2.789530892       -0.4405315064        0.4010369567    
O          1.176602449        -2.818678490         2.085990987    
O         -1.634391758        -2.416404040         2.058388829    
H          1.746240737        -2.703619346         2.862993559    
H          3.105551958        -1.814690071       -0.6022024843    
H          2.358189558       -0.4974133084       -0.1801248625    
H         0.7045136544         1.160886033       -0.8791771685    
H         -1.675048621        0.7782760385       -0.2917285833    
H         -1.638367154         2.021148051        -1.269370575    
H         -2.364139415        -1.121878297         1.065656444    
H         -3.273550890        -1.038543584       -0.1892483863    
H          1.726009170        -2.326146600         1.347184950    
H        -0.5997358913        -2.558310771         2.064311381    
H         -1.903775969        -2.717856097         2.941240960    
H          2.064715501         1.855550337       -0.5626445000    
    18
Energy=    -6256.57151804007    
O         -1.042278387         1.497840559       -0.7091339583    
O          2.721460836        -1.405696901        0.1893580706    
O          1.736539778         1.008531950       -0.9012050309    
O         -2.789554360       -0.4405068287        0.4010439244    
O          1.176616585        -2.818678447         2.086015708    
O         -1.634369144        -2.416382967         2.058361242    
H          1.746239734        -2.703579098         2.863023294    
H          3.105604881        -1.814693727       -0.6021763284    
H          2.358181188       -0.4974395906       -0.1801281748    
H         0.7044854065         1.160872428       -0.8791889623    
H         -1.675064895        0.7782966443       -0.2917179911    
H         -1.638375048         2.021184848        -1.269340939    
H         -2.364141426        -1.121858880         1.065650293    
H         -3.273558157        -1.038524990       -0.1892482861    
H          1.726024139        -2.326152716         1.347202876    
H        -0.5997106718        -2.558294495         2.064304841    
H         -1.903773179        -2.717926473         2.941176474    
H          2.064704705         1.855505241       -0.5626726535    
    18
Energy=    -6256.57151833244    
O         -1.042310858         1.497891774       -0.7091006480    
O          2.721479367        -1.405715643        0.1893740128    
O          1.736481119         1.008464975       -0.9012196542    
O         -2.789579427       -0.4404864552        0.4010338764    
O          1.176655072        -2.818709594         2.086038253    
O         -1.634319560        -2.416333841         2.058340951    
H          1.746229843        -2.703520316         2.863068808    
H          3.105661801        -1.814704776       -0.6021475774    
H          2.358169061       -0.4974779862       -0.1801300836    
H         0.7044331741         1.160840986       -0.8791808967    
H         -1.675101772        0.7783401273       -0.2917055068    
H         -1.638401287         2.021252406        -1.269302675    
H         -2.364149710        -1.121819685         1.065635423    
H         -3.273526188        -1.038519145       -0.1892917119    
H          1.726064767        -2.326192262         1.347223748    
H        -0.5996653983        -2.558264425         2.064293639    
H         -1.903770505        -2.717986174         2.941105306    
H          2.064682483         1.855436591       -0.5627108650    
    18
Energy=    -6256.57151826066    
O         -1.042332250         1.497917759       -0.7090909322    
O          2.721492402        -1.405725109        0.1893908026    
O          1.736452508         1.008427782       -0.9012267452    
O         -2.789594813       -0.4404730585        0.4010276149    
O          1.176674924        -2.818730670         2.086050249    
O         -1.634291288        -2.416311590         2.058323300    
H          1.746228054        -2.703504799         2.863090602    
H          3.105696472        -1.814711349       -0.6021218490    
H          2.358164698       -0.4974973409       -0.1801256390    
H         0.7044075711         1.160823426       -0.8791801483    
H         -1.675126889        0.7783654290       -0.2917057236    
H         -1.638419466         2.021297518        -1.269278658    
H         -2.364154164        -1.121802559         1.065624239    
H         -3.273521289        -1.038511860       -0.1893075439    
H          1.726089139        -2.326214574         1.347235735    
H        -0.5996371228        -2.558244642         2.064293542    
H         -1.903761811        -2.718010559         2.941065413    
H          2.064665310         1.855402755       -0.5627398594    
    18
Energy=    -6256.57151827787    
O         -1.042341281         1.497927132       -0.7090965304    
O          2.721498068        -1.405724840        0.1894008948    
O          1.736444093         1.008416833       -0.9012234364    
O         -2.789596428       -0.4404690798        0.4010240232    
O          1.176681061        -2.818744319         2.086049303    
O         -1.634282025        -2.416304950         2.058320885    
H          1.746231971        -2.703520598         2.863091937    
H          3.105706119        -1.814709650       -0.6021111534    
H          2.358164287       -0.4974993455       -0.1801186887    
H         0.7044000003         1.160816126       -0.8791790221    
H         -1.675135723        0.7783747931       -0.2917116302    
H         -1.638430220         2.021311022        -1.269279088    
H         -2.364154069        -1.121795868         1.065620944    
H         -3.273521791        -1.038509362       -0.1893093591    
H          1.726097767        -2.326225107         1.347237443    
H        -0.5996281954        -2.558239642         2.064295668    
H         -1.903757817        -2.718004144         2.941060539    
H          2.064656168         1.855397556       -0.5627483287    
    18
Energy=    -6256.57151830542    
O         -1.042348276         1.497933391       -0.7091017161    
O          2.721502261        -1.405718283        0.1894117772    
O          1.736436655         1.008410749       -0.9012180938    
O         -2.789595369       -0.4404678669        0.4010174636    
O          1.176684478        -2.818760287         2.086041509    
O         -1.634279262        -2.416299755         2.058321730    
H          1.746238485        -2.703560453         2.863084318    
H          3.105716286        -1.814700391       -0.6020967159    
H          2.358164550       -0.4974963423       -0.1801089892    
H         0.7043937886         1.160809586       -0.8791755047    
H         -1.675143177        0.7783794020       -0.2917183062    
H         -1.638437643         2.021318455        -1.269282959    
H         -2.364153061        -1.121792940         1.065617695    
H         -3.273524352        -1.038511556       -0.1893123792    
H          1.726103726        -2.326234642         1.347238040    
H        -0.5996252757        -2.558237253         2.064295825    
H         -1.903749611        -2.717973625         2.941071055    
H          2.064647780         1.855398366       -0.5627603516    
    18
Energy=    -6256.57151834430    
O         -1.042354328         1.497936106       -0.7091134490    
O          2.721507824        -1.405710549        0.1894246226    
O          1.736434727         1.008410575       -0.9012110052    
O         -2.789592598       -0.4404675553        0.4010144158    
O          1.176683419        -2.818774409         2.086030958    
O         -1.634278970        -2.416297605         2.058324878    
H          1.746248441        -2.703609652         2.863070871    
H          3.105722535        -1.814690286       -0.6020848206    
H          2.358166965       -0.4974895786       -0.1800955863    
H         0.7043921695         1.160806852       -0.8791747171    
H         -1.675147339        0.7783822844       -0.2917263683    
H         -1.638446792         2.021316529        -1.269295972    
H         -2.364150730        -1.121790856         1.065617482    
H         -3.273529605        -1.038511848       -0.1893073196    
H          1.726105518        -2.326240650         1.347235034    
H        -0.5996256164        -2.558239000         2.064297831    
H         -1.903745123        -2.717940177         2.941085299    
H          2.064641486         1.855406377       -0.5627677536    
    18
Energy=    -6256.57151830474    
O         -1.042357131         1.497937336       -0.7091212336    
O          2.721510178        -1.405705171        0.1894314906    
O          1.736433840         1.008411967       -0.9012063862    
O         -2.789589364       -0.4404673085        0.4010131294    
O          1.176681960        -2.818781620         2.086024554    
O         -1.634279780        -2.416297339         2.058327246    
H          1.746254283        -2.703641582         2.863062985    
H          3.105724798        -1.814683200       -0.6020787866    
H          2.358167338       -0.4974849389       -0.1800880322    
H         0.7043911148         1.160805768       -0.8791739738    
H         -1.675148511        0.7783831476       -0.2917308312    
H         -1.638451678         2.021312985        -1.269306071    
H         -2.364148203        -1.121790175         1.065617934    
H         -3.273532888        -1.038511496       -0.1893034811    
H          1.726106087        -2.326243195         1.347233626    
H        -0.5996263166        -2.558241233         2.064298424    
H         -1.903742705        -2.717919434         2.941094917    
H          2.064638961         1.855412045       -0.5627711120    
    18
Energy=    -6256.57151830621    
O         -1.042362990         1.497935078       -0.7091383581    
O          2.721518433        -1.405691430        0.1894484806    
O          1.736434249         1.008420211       -0.9011950488    
O         -2.789585643       -0.4404668346        0.4010133667    
O          1.176675139        -2.818797466         2.086003113    
O         -1.634286474        -2.416295137         2.058334280    
H          1.746273566        -2.703731891         2.863033316    
H          3.105738032        -1.814659865       -0.6020646281    
H          2.358171759       -0.4974713220       -0.1800654879    
H         0.7043906575         1.160806570       -0.8791725374    
H         -1.675150063        0.7783804564       -0.2917413423    
H         -1.638458828         2.021289768        -1.269341295    
H         -2.364143498        -1.121788250         1.065620377    
H         -3.273547558        -1.038510856       -0.1892874338    
H          1.726104106        -2.326245073         1.347225813    
H        -0.5996344930        -2.558247975         2.064298399    
H         -1.903737699        -2.717857237         2.941125030    
H          2.064633289         1.855427808       -0.5627716458    
    18
Energy=    -6256.57151808687    
O         -1.042373855         1.497922835       -0.7091719540    
O          2.721536770        -1.405666879        0.1894755090    
O          1.736437072         1.008442779       -0.9011652642    
O         -2.789579134       -0.4404709803        0.4010096365    
O          1.176659156        -2.818825456         2.085957213    
O         -1.634304489        -2.416287480         2.058352367    
H          1.746314770        -2.703934783         2.862970608    
H          3.105768219        -1.814599422       -0.6020518067    
H          2.358176954       -0.4974430017       -0.1800172013    
H         0.7043883033         1.160810190       -0.8791631369    
H         -1.675151804        0.7783663737       -0.2917664257    
H         -1.638466606         2.021231856        -1.269420527    
H         -2.364135218        -1.121787905         1.065619278    
H         -3.273589687        -1.038512923       -0.1892551587    
H          1.726103885        -2.326247087         1.347208881    
H        -0.5996547675        -2.558260499         2.064295409    
H         -1.903722419        -2.717701012         2.941201040    
H          2.064624832         1.855459951       -0.5627540685    
    18
Energy=    -6256.57151728554    
O         -1.042386568         1.497898494       -0.7091967026    
O          2.721551110        -1.405662546        0.1894706452    
O          1.736445721         1.008480711       -0.9010957155    
O         -2.789571515       -0.4405036298        0.4009751859    
O          1.176640367        -2.818854247         2.085905640    
O         -1.634327597        -2.416265700         2.058382682    
H          1.746363266        -2.704181414         2.862896571    
H          3.105787908        -1.814513130       -0.6020973110    
H          2.358171680       -0.4974149998       -0.1799620788    
H         0.7043855709         1.160819308       -0.8791222597    
H         -1.675156284        0.7783367872       -0.2918107884    
H         -1.638455746         2.021150957        -1.269523832    
H         -2.364131861        -1.121801070         1.065590745    
H         -3.273656969        -1.038545441       -0.1892421327    
H          1.726112739        -2.326257605         1.347186872    
H        -0.5996815385        -2.558263944         2.064285444    
H         -1.903669642        -2.717420315         2.941340301    
H          2.064611343         1.855494340       -0.5626588664    
    18
Energy=    -6256.57151645210    
O         -1.042392909         1.497895533       -0.7092453645    
O          2.721600269        -1.405589830        0.1895962790    
O          1.736432716         1.008454542       -0.9011702441    
O         -2.789596641       -0.4404137670        0.4010775114    
O          1.176630317        -2.818866099         2.085860676    
O         -1.634333426        -2.416288279         2.058350474    
H          1.746407993        -2.704258175         2.862829886    
H          3.105895317        -1.814525942       -0.6019074281    
H          2.358228396       -0.4973890398       -0.1799170924    
H         0.7043851613         1.160806088       -0.8791900318    
H         -1.675162882        0.7783529113       -0.2917878221    
H         -1.638501202         2.021127616        -1.269548154    
H         -2.364120716        -1.121746821         1.065669131    
H         -3.273666296        -1.038450253       -0.1891242432    
H          1.726085025        -2.326216294         1.347170273    
H        -0.5996943770        -2.558301492         2.064304650    
H         -1.903777153        -2.717614244         2.941219048    
H          2.064612393         1.855520103       -0.5628631507    
    18
Energy=    -6256.57151320140    
O         -1.042387791         1.497905632       -0.7092355123    
O          2.721605314        -1.405540957        0.1896876770    
O          1.736413800         1.008411796       -0.9012693556    
O         -2.789576100       -0.4403309998        0.4011864220    
O          1.176628896        -2.818867739         2.085872070    
O         -1.634334140        -2.416309528         2.058306977    
H          1.746392760        -2.704117318         2.862827720    
H          3.105966018        -1.814573017       -0.6017240348    
H          2.358239494       -0.4973750896       -0.1799454811    
H         0.7043608182         1.160770508       -0.8792318350    
H         -1.675156554        0.7783933833       -0.2917321764    
H         -1.638501087         2.021143152        -1.269529212    
H         -2.364098101        -1.121687037         1.065741805    
H         -3.273636859        -1.038364004       -0.1890408416    
H          1.726056032        -2.326199018         1.347164537    
H        -0.5996848909        -2.558312413         2.064298917    
H         -1.903879738        -2.717966392         2.941034419    
H          2.064624110         1.855515597       -0.5630876976    
    18
Energy=    -6256.57151224324    
O         -1.042383316         1.497918578       -0.7092230994    
O          2.721594240        -1.405541216        0.1897079513    
O          1.736408000         1.008386384       -0.9013201121    
O         -2.789577792       -0.4402948730        0.4012312470    
O          1.176642956        -2.818861572         2.085904693    
O         -1.634316615        -2.416320452         2.058278112    
H          1.746367762        -2.703945037         2.862864167    
H          3.105963245        -1.814637232       -0.6016634929    
H          2.358248473       -0.4973880417       -0.1799789837    
H         0.7043601619         1.160763300       -0.8792585406    
H         -1.675154924        0.7784177989       -0.2917069531    
H         -1.638505109         2.021185583        -1.269479463    
H         -2.364096396        -1.121664099         1.065770726    
H         -3.273600253        -1.038328972       -0.1890232619    
H          1.726042685        -2.326190827         1.347175447    
H        -0.5996669308        -2.558309711         2.064301550    
H         -1.903922277        -2.718192213         2.940917154    
H          2.064628074         1.855499158       -0.5631727421    
    18
Energy=    -6256.57151201610    
O         -1.042376407         1.497935657       -0.7091974134    
O          2.721581359        -1.405552126        0.1897047709    
O          1.736405321         1.008363931       -0.9013585133    
O         -2.789578910       -0.4402813498        0.4012506012    
O          1.176655406        -2.818851404         2.085940085    
O         -1.634302747        -2.416330731         2.058260759    
H          1.746331200        -2.703771553         2.862909827    
H          3.105947721        -1.814688466       -0.6016444817    
H          2.358248644       -0.4974060346       -0.1800146141    
H         0.7043618875         1.160757355       -0.8792747014    
H         -1.675152167        0.7784395478       -0.2916811330    
H         -1.638502976         2.021234844        -1.269419114    
H         -2.364100841        -1.121657352         1.065784141    
H         -3.273558714        -1.038318244       -0.1890364565    
H          1.726035279        -2.326190532         1.347186742    
H        -0.5996507312        -2.558303173         2.064303433    
H         -1.903945814        -2.718360936         2.940836562    
H          2.064634472         1.855477124       -0.5632260950    
    18
Energy=    -6256.57151126534    
O         -1.042337458         1.498066964       -0.7090520755    
O          2.721592676        -1.405530846        0.1897577520    
O          1.736405400         1.008245862       -0.9016074477    
O         -2.789580204       -0.4402183146        0.4013856645    
O          1.176632453        -2.818798336         2.086046545    
O         -1.634300613        -2.416418849         2.058209981    
H          1.746158597        -2.703231225         2.863058742    
H          3.106017225        -1.814749741       -0.6015344612    
H          2.358278436       -0.4974431737       -0.1800832190    
H         0.7043862091         1.160675595       -0.8794168802    
H         -1.675122683        0.7785899887       -0.2915102339    
H         -1.638498213         2.021390370        -1.269209676    
H         -2.364152286        -1.121642971         1.065884471    
H         -3.273393755        -1.038251561       -0.1890730238    
H          1.725987486        -2.326171402         1.347231350    
H        -0.5996464996        -2.558307201         2.064316825    
H         -1.904061855        -2.719089888         2.940537951    
H          2.064667068         1.855381285       -0.5636178666    
    18
Energy=    -6256.57151101425    
O         -1.042334973         1.498084793       -0.7090429343    
O          2.721597878        -1.405522256        0.1897713399    
O          1.736406044         1.008234985       -0.9016343466    
O         -2.789576492       -0.4402083613        0.4014039048    
O          1.176628288        -2.818801034         2.086053505    
O         -1.634303852        -2.416429889         2.058208082    
H          1.746138319        -2.703197367         2.863071973    
H          3.106025851        -1.814743313       -0.6015191139    
H          2.358282278       -0.4974411260       -0.1800791825    
H         0.7043887678         1.160666885       -0.8794338706    
H         -1.675117894        0.7786096725       -0.2914923283    
H         -1.638501913         2.021399946        -1.269201757    
H         -2.364154867        -1.121639290         1.065899157    
H         -3.273379418        -1.038240671       -0.1890681905    
H          1.725984069        -2.326175226         1.347236398    
H        -0.5996481136        -2.558311579         2.064316701    
H         -1.904075446        -2.719167622         2.940510575    
H          2.064673458         1.855378008       -0.5636755135    
    18
Energy=    -6256.57150736042    
O         -1.042278104         1.498019740       -0.7091650800    
O          2.721687582        -1.405225446        0.1900896104    
O          1.736384215         1.008094956       -0.9020856387    
O         -2.789602820       -0.4398707186        0.4018277508    
O          1.176607185        -2.818868996         2.086054774    
O         -1.634341018        -2.416598655         2.058125002    
H          1.745881945        -2.703300890         2.863246351    
H          3.106378745        -1.814542027       -0.6009933169    
H          2.358315212       -0.4972725208       -0.1800721651    
H         0.7043785760         1.160616248       -0.8797352646    
H         -1.675085854        0.7787031286       -0.2913964769    
H         -1.638451447         2.021426630        -1.269235780    
H         -2.364204350        -1.121454100         1.066171724    
H         -3.273526289        -1.037750064       -0.1886682972    
H          1.726037726        -2.326084057         1.347409579    
H        -0.5996732792        -2.558403799         2.064232966    
H         -1.904229757        -2.720366283         2.940046995    
H          2.064753715         1.855373410       -0.5645283356    
    18
Energy=    -6256.57150427220    
O         -1.042268030         1.498010051       -0.7092553112    
O          2.721791996        -1.405041062        0.1902997385    
O          1.736382844         1.008052871       -0.9022813550    
O         -2.789607483       -0.4396911451        0.4020744120    
O          1.176534626        -2.818926956         2.085970788    
O         -1.634403831        -2.416684007         2.058114222    
H          1.745781952        -2.703678757         2.863229748    
H          3.106666806        -1.814279913       -0.6007403590    
H          2.358359168       -0.4971475529       -0.1799365535    
H         0.7043780755         1.160574937       -0.8798927968    
H         -1.675067464        0.7787611013       -0.2913598263    
H         -1.638446426         2.021295758        -1.269430679    
H         -2.364227079        -1.121361548         1.066333711    
H         -3.273678308        -1.037485883       -0.1883895613    
H          1.726071655        -2.326046064         1.347469959    
H        -0.5997407486        -2.558485716         2.064188552    
H         -1.904292911        -2.720786400         2.939919508    
H          2.064797141         1.855416841       -0.5649897987    
    18
Energy=    -6256.57150176248    
O         -1.042276932         1.497973528       -0.7093600246    
O          2.721865451        -1.404920550        0.1904302763    
O          1.736385281         1.008065038       -0.9023292901    
O         -2.789604352       -0.4396045216        0.4021824545    
O          1.176495485        -2.819005337         2.085869850    
O         -1.634450920        -2.416707841         2.058136322    
H          1.745768374        -2.704099768         2.863157047    
H          3.106823904        -1.814085168       -0.6006052556    
H          2.358383252       -0.4970500224       -0.1798159825    
H         0.7043717784         1.160566467       -0.8799483665    
H         -1.675060898        0.7787569860       -0.2913843835    
H         -1.638458427         2.021168109        -1.269620489    
H         -2.364219763        -1.121311572         1.066407003    
H         -3.273810984        -1.037352195       -0.1882079525    
H          1.726099311        -2.326040639         1.347480444    
H        -0.5997869023        -2.558540482         2.064158446    
H         -1.904305936        -2.720800177         2.939953888    
H          2.064814259         1.855484703       -0.5651795882    
    18
Energy=    -6256.57150080101    
O         -1.042287522         1.497946197       -0.7094197394    
O          2.721904426        -1.404882631        0.1904734152    
O          1.736389173         1.008081747       -0.9023138097    
O         -2.789599671       -0.4395771942        0.4022123789    
O          1.176474205        -2.819025146         2.085817959    
O         -1.634473745        -2.416707093         2.058145733    
H          1.745798408        -2.704336896         2.863099882    
H          3.106890634        -1.813994884       -0.6005803544    
H          2.358393200       -0.4970171983       -0.1797499424    
H         0.7043703075         1.160561942       -0.8799548114    
H         -1.675063397        0.7787385467       -0.2914151131    
H         -1.638473534         2.021093944        -1.269718974    
H         -2.364212786        -1.121293244         1.066426901    
H         -3.273885281        -1.037309340       -0.1881290685    
H          1.726111520        -2.326029089         1.347479128    
H        -0.5998133232        -2.558557568         2.064152206    
H         -1.904305069        -2.720714072         2.939997109    
H          2.064814439         1.855518535       -0.5651985005    
    18
Energy=    -6256.57150010538    
O         -1.042299449         1.497922277       -0.7094687857    
O          2.721930769        -1.404858568        0.1904983986    
O          1.736391761         1.008102756       -0.9022837123    
O         -2.789595774       -0.4395676091        0.4022165690    
O          1.176467841        -2.819058999         2.085769525    
O         -1.634488637        -2.416695490         2.058163752    
H          1.745819139        -2.704512851         2.863049767    
H          3.106916214        -1.813938078       -0.6005708292    
H          2.358398879       -0.4969920594       -0.1797039008    
H         0.7043667299         1.160568090       -0.8799457792    
H         -1.675065942        0.7787167849       -0.2914452929    
H         -1.638489311         2.021038631        -1.269796035    
H         -2.364202558        -1.121282307         1.066434675    
H         -3.273925216        -1.037296191       -0.1880858203    
H          1.726120626        -2.326032663         1.347466306    
H        -0.5998270139        -2.558568529         2.064147247    
H         -1.904298070        -2.720597621         2.940056958    
H          2.064811996         1.855548982       -0.5651786441    
    18
Energy=    -6256.57149983910    
O         -1.042309081         1.497904359       -0.7095015660    
O          2.721952724        -1.404853349        0.1905048384    
O          1.736395798         1.008114993       -0.9022549323    
O         -2.789592937       -0.4395664948        0.4022143680    
O          1.176459789        -2.819064274         2.085739536    
O         -1.634499741        -2.416685215         2.058173538    
H          1.745845347        -2.704627066         2.863010789    
H          3.106936113        -1.813904034       -0.6005830855    
H          2.358404339       -0.4969854394       -0.1796732306    
H         0.7043674001         1.160566665       -0.8799379032    
H         -1.675070080        0.7786984900       -0.2914695737    
H         -1.638505809         2.021006423        -1.269835448    
H         -2.364199083        -1.121277891         1.066436740    
H         -3.273947810        -1.037296223       -0.1880659164    
H          1.726124015        -2.326024263         1.347456687    
H        -0.5998394303        -2.558569504         2.064151020    
H         -1.904295683        -2.720503161         2.940098693    
H          2.064806112         1.855562542       -0.5651401554    
    18
Energy=    -6256.57149958763    
O         -1.042336417         1.497854686       -0.7095777914    
O          2.722020601        -1.404877894        0.1904844917    
O          1.736413252         1.008120407       -0.9021896359    
O         -2.789605235       -0.4395709616        0.4021993039    
O          1.176448642        -2.819033213         2.085693219    
O         -1.634522502        -2.416646412         2.058210468    
H          1.745892845        -2.704764714         2.862946036    
H          3.106951386        -1.813874280       -0.6006588010    
H          2.358440410       -0.4969975359       -0.1796211925    
H         0.7043778985         1.160556066       -0.8799399540    
H         -1.675083834        0.7786502338       -0.2915273350    
H         -1.638573403         2.021013494        -1.269822062    
H         -2.364213259        -1.121261218         1.066444277    
H         -3.273921302        -1.037329670       -0.1880855016    
H          1.726131703        -2.325996771         1.347432364    
H        -0.5998578945        -2.558546569         2.064187153    
H         -1.904319718        -2.720363421         2.940167324    
H          2.064788811         1.855564327       -0.5650179660    
    18
Energy=    -6256.57149411892    
O         -1.042297165         1.497933588       -0.7094641198    
O          2.721896685        -1.404790548        0.1905734140    
O          1.736366192         1.008160540       -0.9022373832    
O         -2.789529143       -0.4395259724        0.4022462241    
O          1.176470302        -2.819195401         2.085691448    
O         -1.634488899        -2.416709131         2.058131131    
H          1.745816653        -2.704732824         2.862981977    
H          3.106994406        -1.813786292       -0.6004873135    
H          2.358306598       -0.4969461324       -0.1796351546    
H         0.7043272156         1.160582936       -0.8798378073    
H         -1.675049737        0.7787038119       -0.2914400068    
H         -1.638389478         2.020789540        -1.270129522    
H         -2.364123524        -1.121272011         1.066440099    
H         -3.274134653        -1.037203485       -0.1878647340    
H          1.726127529        -2.326074293         1.347449463    
H        -0.5998423863        -2.558609633         2.064058362    
H         -1.904250130        -2.720445666         2.940092699    
H          2.064831519         1.855617529       -0.5652443773    
    18
Energy=    -6256.57149360063    
O         -1.042230724         1.498033596       -0.7092918671    
O          2.721818106        -1.404775295        0.1906579902    
O          1.736405335         1.008127648       -0.9024623918    
O         -2.789586553       -0.4394067657        0.4024250563    
O          1.176544204        -2.819275545         2.085778350    
O         -1.634425125        -2.416849802         2.057949574    
H          1.745675698        -2.704203768         2.863146129    
H          3.107240305        -1.813723161       -0.6002756526    
H          2.358224812       -0.4969753818       -0.1796482129    
H         0.7043720447         1.160573711       -0.8799742284    
H         -1.675040984        0.7788529822       -0.2913047587    
H         -1.638215664         2.020618949        -1.270302075    
H         -2.364155934        -1.121252987         1.066492841    
H         -3.274589954        -1.036935034       -0.1875202437    
H          1.726129208        -2.326146724         1.347513726    
H        -0.5997554558        -2.558710739         2.063975888    
H         -1.904301923        -2.721065528         2.939703838    
H          2.064924585         1.855610401       -0.5655395649    
    18
Energy=    -6256.57148920312    
O         -1.042151111         1.498138092       -0.7090873411    
O          2.721691454        -1.404757505        0.1907136874    
O          1.736410450         1.008076570       -0.9027404166    
O         -2.789648239       -0.4393188371        0.4025738150    
O          1.176603018        -2.819320134         2.085913562    
O         -1.634349908        -2.416978339         2.057819580    
H          1.745483126        -2.703513976         2.863357076    
H          3.107429996        -1.813754683       -0.6000321131    
H          2.358157016       -0.4970038231       -0.1797693077    
H         0.7043877090         1.160563485       -0.8800969056    
H         -1.675011943        0.7789897321       -0.2911389843    
H         -1.638006093         2.020633005        -1.270309964    
H         -2.364189272        -1.121266290         1.066501772    
H         -3.274878799        -1.036728350       -0.1873138705    
H          1.726118930        -2.326226548         1.347569207    
H        -0.5996719089        -2.558801136         2.063905236    
H         -1.904338392        -2.721791493         2.939334640    
H          2.064995951         1.855556787       -0.5658752736    
    18
Energy=    -6256.57148828994    
O         -1.042130590         1.498165309       -0.7090379557    
O          2.721656312        -1.404753989        0.1907202961    
O          1.736413503         1.008057836       -0.9028227422    
O         -2.789673087       -0.4393021421        0.4026094946    
O          1.176615555        -2.819318732         2.085958524    
O         -1.634330405        -2.417011203         2.057795651    
H          1.745431052        -2.703318785         2.863421197    
H          3.107464011        -1.813787363       -0.5999704275    
H          2.358153842       -0.4970092049       -0.1798190000    
H         0.7043964281         1.160561451       -0.8801438427    
H         -1.675005277        0.7790303161       -0.2910955310    
H         -1.637964028         2.020674089        -1.270269053    
H         -2.364207744        -1.121272941         1.066502103    
H         -3.274911045        -1.036688826       -0.1872984736    
H          1.726113853        -2.326246130         1.347585127    
H        -0.5996499956        -2.558822207         2.063897883    
H         -1.904346162        -2.721995069         2.939245266    
H          2.065005760         1.855534147       -0.5659541177    
    18
Energy=    -6256.57148758726    
O         -1.042109088         1.498140184       -0.7090431449    
O          2.721627747        -1.404737097        0.1907193926    
O          1.736437614         1.008019735       -0.9029486898    
O         -2.789711849       -0.4392486994        0.4026691492    
O          1.176643518        -2.819305167         2.086045595    
O         -1.634290863        -2.417053429         2.057742437    
H          1.745372359        -2.703052867         2.863532831    
H          3.107508633        -1.813836162       -0.5998893482    
H          2.358172115       -0.4970019048       -0.1799010882    
H         0.7044293726         1.160545414       -0.8802534355    
H         -1.675001138        0.7790307829       -0.2910686946    
H         -1.637967926         2.020785174        -1.270127551    
H         -2.364230529        -1.121258560         1.066500869    
H         -3.274982489        -1.036606677       -0.1872552127    
H          1.726117625        -2.326262993         1.347624508    
H        -0.5996098626        -2.558838235         2.063896644    
H         -1.904389218        -2.722293828         2.939082068    
H          2.065015960         1.855470885       -0.5660019303    
    18
Energy=    -6256.57148643724    
O         -1.042078677         1.498117625       -0.7090422098    
O          2.721635837        -1.404725703        0.1907322489    
O          1.736446311         1.007946629       -0.9030731527    
O         -2.789747114       -0.4391721301        0.4028036928    
O          1.176672156        -2.819250209         2.086125868    
O         -1.634276893        -2.417178722         2.057600250    
H          1.745257596        -2.702689329         2.863661204    
H          3.107641252        -1.813860700       -0.5998044775    
H          2.358200973       -0.4970148665       -0.1799837666    
H         0.7044458501         1.160487645       -0.8803265093    
H         -1.674979070        0.7790676566       -0.2910051549    
H         -1.637990414         2.020846027        -1.270001047    
H         -2.364234569        -1.121275399         1.066518620    
H         -3.275091436        -1.036437215       -0.1871506681    
H          1.726137746        -2.326273424         1.347665176    
H        -0.5995846743        -2.558900909         2.063843690    
H         -1.904444827        -2.722576763         2.938868781    
H          2.065021936         1.855386343       -0.5661081461    
    18
Energy=    -6256.57147986000    
O         -1.042057808         1.497962507       -0.7091502405    
O          2.721683519        -1.404663938        0.1907769081    
O          1.736504852         1.007864005       -0.9032257676    
O         -2.789805801       -0.4389587540        0.4030544604    
O          1.176732447        -2.819223976         2.086222288    
O         -1.634220139        -2.417343514         2.057299020    
H          1.745149948        -2.702354524         2.863823999    
H          3.107937474        -1.813771284       -0.5996546561    
H          2.358252573       -0.4969848505       -0.1800510935    
H         0.7045074035         1.160418609       -0.8805029820    
H         -1.674958294        0.7789880413       -0.2909507989    
H         -1.638096533         2.020744630        -1.269937442    
H         -2.364207169        -1.121228540         1.066551221    
H         -3.275553039        -1.036058405       -0.1867548425    
H          1.726190013        -2.326284664         1.347737907    
H        -0.5995198772        -2.559003175         2.063724134    
H         -1.904577738        -2.722852492         2.938472631    
H          2.065070151         1.855246879       -0.5661103468    
    18
Energy=    -6256.57147778016    
O         -1.042059464         1.497936571       -0.7091612476    
O          2.721682240        -1.404646107        0.1907919451    
O          1.736516037         1.007864611       -0.9032297569    
O         -2.789806510       -0.4389398151        0.4030701779    
O          1.176737788        -2.819241636         2.086213198    
O         -1.634213721        -2.417347225         2.057273146    
H          1.745141833        -2.702376801         2.863818902    
H          3.107988504        -1.813734915       -0.5996327498    
H          2.358254248       -0.4969675377       -0.1800524811    
H         0.7045134034         1.160414516       -0.8805268425    
H         -1.674956489        0.7789613179       -0.2909481472    
H         -1.638109139         2.020707251        -1.269947904    
H         -2.364198135        -1.121220384         1.066552498    
H         -3.275622447        -1.036023201       -0.1867004059    
H          1.726185556        -2.326291192         1.347739543    
H        -0.5995148665        -2.559015290         2.063712113    
H         -1.904589343        -2.722821746         2.938453743    
H          2.065082488         1.855238141       -0.5661013322    
    18
Energy=    -6256.57146920292    
O         -1.042050294         1.497847443       -0.7092426070    
O          2.721787835        -1.404613999        0.1908475303    
O          1.736530725         1.007802545       -0.9032735417    
O         -2.789822775       -0.4387485685        0.4033291642    
O          1.176769405        -2.819223909         2.086227591    
O         -1.634210636        -2.417528880         2.056957455    
H          1.745051992        -2.702171889         2.863898255    
H          3.108311055        -1.813569968       -0.5995377597    
H          2.358273752       -0.4969753688       -0.1799981853    
H         0.7045353479         1.160357261       -0.8805410150    
H         -1.674920221        0.7789320841       -0.2908928755    
H         -1.638184895         2.020411017        -1.270131051    
H         -2.364117101        -1.121200002         1.066592516    
H         -3.276137987        -1.035641421       -0.1862164271    
H          1.726264561        -2.326307834         1.347763582    
H        -0.5994983701        -2.559147300         2.063531555    
H         -1.904682155        -2.722885990         2.938141754    
H          2.065131743         1.855161337       -0.5661315422    
    18
Energy=    -6256.57146299185    
O         -1.042066855         1.497813913       -0.7092613398    
O          2.721841032        -1.404580768        0.1908885611    
O          1.736535731         1.007824499       -0.9032017610    
O         -2.789804383       -0.4387080339        0.4033659991    
O          1.176766686        -2.819294536         2.086136640    
O         -1.634226554        -2.417533932         2.056892721    
H          1.745061619        -2.702364471         2.863817643    
H          3.108450622        -1.813419147       -0.5995187179    
H          2.358257759       -0.4969467694       -0.1799008046    
H         0.7045331880         1.160366568       -0.8804858089    
H         -1.674912917        0.7788806147       -0.2908881277    
H         -1.638195844         2.020161051        -1.270349730    
H         -2.364068777        -1.121190087         1.066591808    
H         -3.276383485        -1.035557165       -0.1860031474    
H          1.726285897        -2.326323074         1.347727410    
H        -0.5995202966        -2.559191856         2.063461023    
H         -1.904690801        -2.722630049         2.938161627    
H          2.065169363         1.855189798       -0.5661095975    
    18
Energy=    -6256.57145976590    
O         -1.042081067         1.497833072       -0.7092386269    
O          2.721862614        -1.404568843        0.1909109379    
O          1.736524619         1.007856329       -0.9031286452    
O         -2.789779671       -0.4387204952        0.4033491225    
O          1.176750852        -2.819354084         2.086056029    
O         -1.634246157        -2.417509727         2.056899660    
H          1.745083653        -2.702555445         2.863734456    
H          3.108487961        -1.813327210       -0.5995292061    
H          2.358237224       -0.4969329792       -0.1798228667    
H         0.7045192400         1.160395578       -0.8804181706    
H         -1.674905160        0.7788693425       -0.2908813836    
H         -1.638182735         2.019983113        -1.270528619    
H         -2.364035736        -1.121194125         1.066584509    
H         -3.276466384        -1.035566533       -0.1859288753    
H          1.726290119        -2.326336343         1.347688617    
H        -0.5995435370        -2.559208851         2.063433253    
H         -1.904673384        -2.722400761         2.938244375    
H          2.065189534         1.855234519       -0.5661001686    
    18
Energy=    -6256.57145743221    
O         -1.042097382         1.497873049       -0.7091885381    
O          2.721857299        -1.404560926        0.1909230182    
O          1.736510161         1.007899890       -0.9030512649    
O         -2.789750073       -0.4387674832        0.4032856723    
O          1.176728285        -2.819423760         2.085976311    
O         -1.634263342        -2.417448524         2.056957969    
H          1.745115035        -2.702769797         2.863643045    
H          3.108468454        -1.813257994       -0.5995542791    
H          2.358212545       -0.4969167978       -0.1797580547    
H         0.7045035387         1.160443075       -0.8803563043    
H         -1.674897476        0.7788617487       -0.2908741496    
H         -1.638160190         2.019841368        -1.270676011    
H         -2.364013001        -1.121196517         1.066570692    
H         -3.276461531        -1.035641787       -0.1859362648    
H          1.726278627        -2.326354786         1.347646689    
H        -0.5995628555        -2.559201918         2.063440421    
H         -1.904646890        -2.722170742         2.938368671    
H          2.065210780         1.855288457       -0.5660932234    
    18
Energy=    -6256.57145181381    
O         -1.042123057         1.497912684       -0.7091053919    
O          2.721835898        -1.404538989        0.1909258881    
O          1.736485240         1.007969118       -0.9029516435    
O         -2.789721036       -0.4388543346        0.4031711774    
O          1.176691766        -2.819517190         2.085872544    
O         -1.634290574        -2.417341829         2.057066282    
H          1.745156958        -2.703054968         2.863528707    
H          3.108435383        -1.813197898       -0.5995786108    
H          2.358197313       -0.4968946416       -0.1797112082    
H         0.7044802558         1.160516131       -0.8803145773    
H         -1.674884313        0.7788251179       -0.2908637828    
H         -1.638127534         2.019705948        -1.270798631    
H         -2.364017908        -1.121187898         1.066554417    
H         -3.276399977        -1.035768393       -0.1860083085    
H          1.726255223        -2.326367989         1.347593524    
H        -0.5995763362        -2.559171725         2.063474682    
H         -1.904611497        -2.721884116         2.938549375    
H          2.065246178         1.855347530       -0.5660800432    
    18
Energy=    -6256.57144275428    
O         -1.042052256         1.498093117       -0.7089295111    
O          2.721952293        -1.404738671        0.1908979374    
O          1.736383769         1.007669312       -0.9030210725    
O         -2.789714106       -0.4386100481        0.4036374777    
O          1.176752676        -2.819196218         2.086096342    
O         -1.634258639        -2.417789012         2.056572008    
H          1.744801712        -2.701775902         2.863900273    
H          3.108572525        -1.813298251       -0.5996385228    
H          2.358188428       -0.4971153532       -0.1797429518    
H         0.7043799640         1.160366506       -0.8801784982    
H         -1.674802524        0.7790880724       -0.2905365544    
H         -1.638029944         2.019606477        -1.270900946    
H         -2.363947438        -1.121294187         1.066680202    
H         -3.276503392        -1.035298384       -0.1857084221    
H          1.726350994        -2.326320807         1.347677446    
H        -0.5995259680        -2.559304746         2.063203093    
H         -1.904761650        -2.722785668         2.937851205    
H          2.065245539         1.855200319       -0.5665351064    
    18
Energy=    -6256.57142965419    
O         -1.041987685         1.498197410       -0.7087437214    
O          2.722094161        -1.404969445        0.1908283037    
O          1.736284953         1.007250740       -0.9032342293    
O         -2.789755491       -0.4382896516        0.4041870425    
O          1.176890099        -2.818692209         2.086557018    
O         -1.634224726        -2.418386957         2.055912281    
H          1.744340576        -2.699768974         2.864571450    
H          3.108740415        -1.813618427       -0.5996520216    
H          2.358291547       -0.4974265674       -0.1799380056    
H         0.7043044028         1.160117569       -0.8802662458    
H         -1.674740754        0.7792952080       -0.2901945718    
H         -1.637976342         2.019944874        -1.270490403    
H         -2.363998085        -1.121345987         1.066841412    
H         -3.276634282        -1.034641294       -0.1853909290    
H          1.726522560        -2.326197969         1.347902970    
H        -0.5994094289        -2.559450822         2.062895920    
H         -1.905025106        -2.724410466         2.936744818    
H          2.065315170         1.854889525       -0.5672066908    
    18
Energy=    -6256.57141876611    
O         -1.041920556         1.498125121       -0.7087688921    
O          2.722261829        -1.405129364        0.1907763835    
O          1.736261926         1.006905632       -0.9035259983    
O         -2.789894299       -0.4379357432        0.4047362397    
O          1.177038245        -2.818203055         2.087004518    
O         -1.634176066        -2.418923312         2.055297268    
H          1.743997966        -2.698045223         2.865181416    
H          3.108955230        -1.813945982       -0.5996015436    
H          2.358432240       -0.4976691987       -0.1801435410    
H         0.7042957416         1.159837294       -0.8804254719    
H         -1.674750233        0.7794288549       -0.2900208482    
H         -1.637980089         2.020373483        -1.270003048    
H         -2.364090163        -1.121344315         1.066995491    
H         -3.276894707        -1.033979866       -0.1850365244    
H          1.726703448        -2.326070968         1.348137133    
H        -0.5993043724        -2.559583814         2.062622768    
H         -1.905241929        -2.725919525         2.935719552    
H          2.065337772         1.854576537       -0.5676205027    
    18
Energy=    -6256.57141070897    
O         -1.041889191         1.497940252       -0.7089121910    
O          2.722443462        -1.405225872        0.1907353964    
O          1.736306344         1.006662796       -0.9037593311    
O         -2.790064903       -0.4376001178        0.4051719981    
O          1.177182062        -2.817804788         2.087360751    
O         -1.634135072        -2.419309894         2.054820456    
H          1.743809944        -2.696797693         2.865645684    
H          3.109189790        -1.814221290       -0.5995406717    
H          2.358598591       -0.4978329214       -0.1803064016    
H         0.7043430193         1.159578106       -0.8806308988    
H         -1.674837678        0.7794561172       -0.2899951729    
H         -1.638016183         2.020750821        -1.269583547    
H         -2.364208026        -1.121267318         1.067124239    
H         -3.277274413        -1.033401741       -0.1846644450    
H          1.726871964        -2.325936624         1.348338414    
H        -0.5992239993        -2.559671369         2.062400562    
H         -1.905406700        -2.727139725         2.934900206    
H          2.065342970         1.854317817       -0.5677806480    
    18
Energy=    -6256.57140712484    
O         -1.041893578         1.497790710       -0.7090154333    
O          2.722589425        -1.405252181        0.1907279292    
O          1.736359946         1.006576052       -0.9038530660    
O         -2.790185666       -0.4374210410        0.4053610312    
O          1.177246969        -2.817602763         2.087475539    
O         -1.634137244        -2.419464223         2.054623594    
H          1.743787857        -2.696390711         2.865794769    
H          3.109373432        -1.814322464       -0.5995028785    
H          2.358718209       -0.4979025791       -0.1803594711    
H         0.7043919698         1.159432488       -0.8807165078    
H         -1.674933353        0.7794362682       -0.2900280201    
H         -1.638030252         2.020862139        -1.269446476    
H         -2.364286306        -1.121202300         1.067172019    
H         -3.277586168        -1.033107497       -0.1844366225    
H          1.726978279        -2.325837220         1.348411474    
H        -0.5992194752        -2.559712797         2.062282086    
H         -1.905466016        -2.727599218         2.934585399    
H          2.065323955         1.854213894       -0.5677509675    
    18
Energy=    -6256.57140406876    
O         -1.041919095         1.497612772       -0.7091318608    
O          2.722830216        -1.405284073        0.1907505194    
O          1.736411234         1.006532993       -0.9038280384    
O         -2.790338356       -0.4372600538        0.4055262059    
O          1.177288104        -2.817439827         2.087473967    
O         -1.634169791        -2.419571605         2.054468554    
H          1.743792491        -2.696219226         2.865815201    
H          3.109618584        -1.814364231       -0.5994643327    
H          2.358896425       -0.4979388328       -0.1803412328    
H         0.7044482795         1.159297397       -0.8807735568    
H         -1.675088487        0.7793592683       -0.2900775020    
H         -1.638005773         2.020829956        -1.269479467    
H         -2.364370801        -1.121093670         1.067218361    
H         -3.278037530        -1.032818642       -0.1841521933    
H          1.727087694        -2.325730998         1.348428997    
H        -0.5992496427        -2.559748206         2.062138533    
H         -1.905448171        -2.727826902         2.934399948    
H          2.065286603         1.854160436       -0.5676477048    
    18
Energy=    -6256.57140280387    
O         -1.041958921         1.497534528       -0.7091813339    
O          2.722963330        -1.405248768        0.1907957180    
O          1.736440944         1.006568535       -0.9037496833    
O         -2.790387320       -0.4372258901        0.4055347130    
O          1.177268020        -2.817447777         2.087351663    
O         -1.634217750        -2.419588255         2.054478988    
H          1.743849583        -2.696514598         2.865680937    
H          3.109764638        -1.814300641       -0.5994299654    
H          2.359000688       -0.4979182423       -0.1802805544    
H         0.7044678280         1.159258853       -0.8807454980    
H         -1.675171727        0.7793181081       -0.2901154955    
H         -1.637993344         2.020669681        -1.269652793    
H         -2.364402149        -1.121066117         1.067208967    
H         -3.278265759        -1.032741622       -0.1840433284    
H          1.727123348        -2.325687999         1.348376750    
H        -0.5993088487        -2.559795966         2.062066103    
H         -1.905372664        -2.727527986         2.934553319    
H          2.065232088         1.854210713       -0.5675241071    
    18
Energy=    -6256.57140041131    
O         -1.042026273         1.497454540       -0.7093039312    
O          2.723145010        -1.405113698        0.1909296111    
O          1.736442728         1.006721410       -0.9035129703    
O         -2.790405182       -0.4372724093        0.4054892942    
O          1.177168253        -2.817654631         2.086990298    
O         -1.634310461        -2.419582480         2.054589711    
H          1.743980712        -2.697548610         2.865278749    
H          3.109939626        -1.814081420       -0.5993318906    
H          2.359138954       -0.4977783576       -0.1801004360    
H         0.7044530013         1.159287145       -0.8806326853    
H         -1.675247771        0.7792556909       -0.2901904669    
H         -1.637972114         2.020237014        -1.270181200    
H         -2.364394461        -1.121094833         1.067162568    
H         -3.278534950        -1.032738324       -0.1839396480    
H          1.727105106        -2.325687504         1.348215723    
H        -0.5994290153        -2.559924193         2.061964163    
H         -1.905108028        -2.726386221         2.935142649    
H          2.065086848         1.854403439       -0.5672451396    
    18
Energy=    -6256.57139818321    
O         -1.042086025         1.497408704       -0.7094000564    
O          2.723273827        -1.404974815        0.1910425274    
O          1.736442173         1.006845518       -0.9032997302    
O         -2.790392653       -0.4373339794        0.4054309335    
O          1.177068700        -2.817879513         2.086666309    
O         -1.634388451        -2.419562884         2.054713587    
H          1.744060981        -2.698433816         2.864919644    
H          3.110077105        -1.813880946       -0.5992489868    
H          2.359250097       -0.4976444816       -0.1799430505    
H         0.7044283050         1.159320431       -0.8805354184    
H         -1.675276194        0.7792125058       -0.2902530769    
H         -1.637968229         2.019878258        -1.270625869    
H         -2.364382937        -1.121139278         1.067128455    
H         -3.278692287        -1.032778994       -0.1838837024    
H          1.727064816        -2.325725899         1.348058522    
H        -0.5995275839        -2.560028171         2.061885802    
H         -1.904877224        -2.725361937         2.935690425    
H          2.064957563         1.854575855       -0.5670219152    
    18
Energy=    -6256.57139177178    
O         -1.042141294         1.497313373       -0.7096667283    
O          2.723466392        -1.404707580        0.1912515421    
O          1.736424321         1.007056685       -0.9029365701    
O         -2.790388705       -0.4374528744        0.4053704790    
O          1.176905293        -2.818288893         2.086117943    
O         -1.634480656        -2.419489799         2.054901315    
H          1.744207238        -2.699990044         2.864319633    
H          3.110203685        -1.813555432       -0.5990985520    
H          2.359407435       -0.4973616877       -0.1796701807    
H         0.7043806029         1.159397372       -0.8803922766    
H         -1.675279330        0.7791407617       -0.2904152779    
H         -1.637962698         2.019297847        -1.271400627    
H         -2.364347843        -1.121227250         1.067087280    
H         -3.278966998        -1.032871975       -0.1837450069    
H          1.726991069        -2.325800462         1.347800165    
H        -0.5996482905        -2.560158188         2.061773324    
H         -1.904467966        -2.723639378         2.936580886    
H          2.064729728         1.854834081       -0.5665529502    
    18
Energy=    -6256.57137676845    
O         -1.042118687         1.497135808       -0.7099514720    
O          2.723721599        -1.404573626        0.1913578879    
O          1.736446447         1.007036311       -0.9026957966    
O         -2.790570780       -0.4373553610        0.4055385199    
O          1.176896979        -2.818354372         2.085868791    
O         -1.634409182        -2.419347085         2.054881666    
H          1.744128703        -2.700245683         2.864124471    
H          3.110142365        -1.813545653       -0.5990887346    
H          2.359625438       -0.4972280488       -0.1795436238    
H         0.7043790430         1.159318900       -0.8803187904    
H         -1.675298430        0.7791110571       -0.2905503687    
H         -1.637882296         2.018983086        -1.271893760    
H         -2.364417049        -1.121144539         1.067165090    
H         -3.279462960        -1.032763584       -0.1833273492    
H          1.727070531        -2.325753719         1.347677087    
H        -0.5995620078        -2.560028610         2.061656990    
H         -1.904287043        -2.723535994         2.936535958    
H          2.064629311         1.854787670       -0.5661121677    
    18
Energy=    -6256.57135621018    
O         -1.042155201         1.496841267       -0.7104302161    
O          2.724194192        -1.404359233        0.1915401351    
O          1.736504050         1.007080426       -0.9022798070    
O         -2.790831378       -0.4372031712        0.4057059608    
O          1.176886084        -2.818338584         2.085427033    
O         -1.634371997        -2.419114299         2.054862621    
H          1.744301610        -2.701112934         2.863696384    
H          3.110136162        -1.813450937       -0.5990831463    
H          2.359924670       -0.4970339653       -0.1792819219    
H         0.7044072785         1.159214558       -0.8802926767    
H         -1.675379265        0.7789928794       -0.2908521977    
H         -1.637722297         2.018409241        -1.272846158    
H         -2.364536854        -1.120979959         1.067256959    
H         -3.280476231        -1.032602209       -0.1825551214    
H          1.727249936        -2.325597114         1.347458271    
H        -0.5995194614        -2.559793954         2.061470963    
H         -1.904046546        -2.723156334         2.936677229    
H          2.064467231         1.854700879       -0.5651499114    
    18
Energy=    -6256.57133568301    
O         -1.042054678         1.496719215       -0.7103927521    
O          2.724357838        -1.404590087        0.1914026663    
O          1.736572189         1.006729458       -0.9025061260    
O         -2.791123766       -0.4368776610        0.4060073645    
O          1.177111431        -2.817657636         2.085879176    
O         -1.634151289        -2.419023655         2.054517031    
H          1.744088485        -2.699287046         2.864275580    
H          3.109883250        -1.813917278       -0.5992991166    
H          2.360029778       -0.4973026454       -0.1794752908    
H         0.7044922712         1.158983361       -0.8803976534    
H         -1.675466169        0.7790290027       -0.2908224169    
H         -1.637550958         2.018756096        -1.272469157    
H         -2.364701552        -1.120697758         1.067413154    
H         -3.280999086        -1.032272318       -0.1820614923    
H          1.727522872        -2.325285669         1.347669470    
H        -0.5992412134        -2.559387749         2.061439193    
H         -1.904406965        -2.725604710         2.935266810    
H          2.064669546         1.854183637       -0.5651220418    
    18
Energy=    -6256.57131970833    
O         -1.042020366         1.496696986       -0.7102952460    
O          2.724510020        -1.404680657        0.1913697395    
O          1.736605184         1.006570628       -0.9025839673    
O         -2.791266235       -0.4367460026        0.4060954639    
O          1.177219774        -2.817301282         2.086021900    
O         -1.634068298        -2.418978839         2.054353207    
H          1.744027340        -2.698606148         2.864496657    
H          3.109743105        -1.814143654       -0.5993915868    
H          2.360108123       -0.4974210780       -0.1795187833    
H         0.7045252268         1.158878047       -0.8803752596    
H         -1.675540605        0.7790336209       -0.2908187542    
H         -1.637446279         2.018815318        -1.272363325    
H         -2.364774509        -1.120580315         1.067437167    
H         -3.281367671        -1.032113290       -0.1818035301    
H          1.727709971        -2.325058243         1.347754800    
H        -0.5991377505        -2.559216484         2.061375232    
H         -1.904569824        -2.726600414         2.934710233    
H          2.064774778         1.853948362       -0.5651395493    
    18
Energy=    -6256.57130097327    
O         -1.041920729         1.496983627       -0.7095548277    
O          2.724514756        -1.405163014        0.1910351802    
O          1.736583255         1.006016795       -0.9031465494    
O         -2.791340627       -0.4364524442        0.4062585135    
O          1.177484098        -2.816268734         2.086918370    
O         -1.633905621        -2.419097030         2.053926212    
H          1.743622107        -2.695492329         2.865571836    
H          3.109433072        -1.814888846       -0.5997514594    
H          2.360038872       -0.4979835555       -0.1799619806    
H         0.7045695103         1.158604182       -0.8805087155    
H         -1.675578274        0.7792745492       -0.2903478843    
H         -1.637296048         2.019514899        -1.271269599    
H         -2.364838464        -1.120395005         1.067471072    
H         -3.281302869        -1.031784282       -0.1818042278    
H          1.727949148        -2.324699348         1.348168060    
H        -0.5989114978        -2.558889545         2.061446985    
H         -1.905243118        -2.730129513         2.932841015    
H          2.065174412         1.853346149       -0.5659676025    
    18
Energy=    -6256.57127948125    
O         -1.041819469         1.497347918       -0.7087574459    
O          2.724537298        -1.405527285        0.1907694233    
O          1.736509856         1.005549553       -0.9036581173    
O         -2.791333139       -0.4362931440        0.4063164162    
O          1.177669980        -2.815487924         2.087596852    
O         -1.633808495        -2.419251665         2.053614183    
H          1.743175503        -2.692943681         2.866438731    
H          3.109171338        -1.815517478       -0.6000158235    
H          2.360012935       -0.4984193040       -0.1803471908    
H         0.7045449477         1.158393103       -0.8805335573    
H         -1.675543885        0.7795243735       -0.2898123846    
H         -1.637196144         2.020036472        -1.270291189    
H         -2.364853249        -1.120343338         1.067413188    
H         -3.281076367        -1.031552427       -0.1820072894    
H          1.728115464        -2.324414012         1.348491946    
H        -0.5987653254        -2.558703313         2.061511276    
H         -1.905788724        -2.732787386         2.931477866    
H          2.065479462         1.852886093       -0.5668824856    
    18
Energy=    -6256.57125501069    
O         -1.041652367         1.497967385       -0.7076172072    
O          2.724453715        -1.405978929        0.1903864459    
O          1.736309404         1.004906476       -0.9044000160    
O         -2.791199982       -0.4361168967        0.4064094109    
O          1.177913472        -2.814605784         2.088517341    
O         -1.633661050        -2.419561232         2.053206461    
H          1.742388653        -2.689323149         2.867665485    
H          3.108702027        -1.816409919       -0.6003631344    
H          2.359967570       -0.4989457285       -0.1809398877    
H         0.7044194185         1.158159212       -0.8805699931    
H         -1.675344289        0.7800048353       -0.2888520906    
H         -1.637096889         2.020713019        -1.268982966    
H         -2.364809365        -1.120362671         1.067326982    
H         -3.280384609        -1.031257034       -0.1825177625    
H          1.728264311        -2.324159237         1.348936569    
H        -0.5985418270        -2.558525815         2.061675560    
H         -1.906515187        -2.736286097         2.929683477    
H          2.065818975         1.852278121       -0.5682402759    
    18
Energy=    -6256.57123081272    
O         -1.041518441         1.498208381       -0.7069795820    
O          2.724540597        -1.406242280        0.1901303830    
O          1.736231274         1.004580270       -0.9046792728    
O         -2.791315111       -0.4359729617        0.4064879623    
O          1.178083991        -2.814163838         2.088994239    
O         -1.633553010        -2.419579039         2.052991689    
H          1.741953701        -2.687328465         2.868313149    
H          3.108482303        -1.816933708       -0.6006464475    
H          2.360132876       -0.4992040671       -0.1812649619    
H         0.7043755610         1.157988074       -0.8804658065    
H         -1.675215047        0.7802200470       -0.2882653654    
H         -1.637017250         2.020855043        -1.268362766    
H         -2.364956662        -1.120333357         1.067283176    
H         -3.280214034        -1.031019370       -0.1827945934    
H          1.728391993        -2.324081305         1.349157033    
H        -0.5983857804        -2.558284847         2.061796831    
H         -1.906945046        -2.738283123         2.928630752    
H          2.065960068         1.852071103       -0.5690020207    
    18
Energy=    -6256.57120241335    
O         -1.041300181         1.497856984       -0.7066653445    
O          2.724622104        -1.406591663        0.1896545201    
O          1.736405825         1.004367483       -0.9049933049    
O         -2.792012005       -0.4355398929        0.4068876770    
O          1.178392845        -2.813480519         2.089746387    
O         -1.633325902        -2.419305074         2.052636370    
H          1.741893081        -2.685130428         2.869150471    
H          3.108465327        -1.817507853       -0.6010128594    
H          2.360387111       -0.4995366022       -0.1818166628    
H         0.7044954444         1.157690252       -0.8805367081    
H         -1.675154396        0.7801265661       -0.2877757835    
H         -1.636816122         2.020983104        -1.267620195    
H         -2.365576096        -1.120024653         1.067428653    
H         -3.280407767        -1.030528303       -0.1828366595    
H          1.728571011        -2.324004473         1.349526215    
H        -0.5981232051        -2.557561096         2.061960743    
H         -1.907535899        -2.741142857         2.926851822    
H          2.066050805         1.851825580       -0.5692609417    
    18
Energy=    -6256.57115669220    
O         -1.041185954         1.497183307       -0.7069916089    
O          2.724773410        -1.406911888        0.1892877514    
O          1.736652638         1.004513025       -0.9045587480    
O         -2.792872770       -0.4350747102        0.4072978112    
O          1.178664149        -2.813284050         2.090102876    
O         -1.633073175        -2.418640770         2.052518790    
H          1.742189055        -2.684485614         2.869395043    
H          3.108619776        -1.817677362       -0.6014927959    
H          2.360728868       -0.4997011277       -0.1819466557    
H         0.7047271408         1.157542716       -0.8802899702    
H         -1.675294956        0.7798195382       -0.2878603001    
H         -1.636554054         2.020458800        -1.267999984    
H         -2.366251402        -1.119545532         1.067711255    
H         -3.281239336        -1.030095143       -0.1824368851    
H          1.728777426        -2.324167590         1.349608319    
H        -0.5978439576        -2.556833439         2.062096248    
H         -1.907817779        -2.742737711         2.925740205    
H          2.066032905         1.852134108       -0.5688569530    
    18
Energy=    -6256.57113150840    
O         -1.041168915         1.496713495       -0.7074020998    
O          2.724811893        -1.406997733        0.1891621866    
O          1.736844709         1.004733443       -0.9042139861    
O         -2.793338559       -0.4348531730        0.4075210279    
O          1.178757222        -2.813299653         2.090132647    
O         -1.632972667        -2.418265652         2.052512755    
H          1.742579476        -2.684932818         2.869287628    
H          3.108788915        -1.817572945       -0.6016537889    
H          2.360808268       -0.4997077208       -0.1819058797    
H         0.7048824001         1.157523981       -0.8801965300    
H         -1.675431864        0.7795681753       -0.2881404990    
H         -1.636414119         2.020058343        -1.268493293    
H         -2.366585936        -1.119273846         1.067893279    
H         -3.281766227        -1.029929783       -0.1820926889    
H          1.728850940        -2.324264583         1.349586765    
H        -0.5977549480        -2.556498616         2.062116343    
H         -1.907810992        -2.742880948         2.925496915    
H          2.065952388         1.852376591       -0.5682863831    
    18
Energy=    -6256.57111151921    
O         -1.041246631         1.496312796       -0.7079478248    
O          2.724816488        -1.407035384        0.1891123998    
O          1.737010785         1.005110303       -0.9036114073    
O         -2.793659030       -0.4346704098        0.4076779552    
O          1.178788141        -2.813499058         2.089921897    
O         -1.632906545        -2.417874535         2.052634448    
H          1.743129017        -2.686231609         2.868871779    
H          3.108946903        -1.817281913       -0.6018055234    
H          2.360806392       -0.4996369622       -0.1816751977    
H         0.7050054876         1.157620288       -0.8799970983    
H         -1.675638651        0.7793523288       -0.2885607797    
H         -1.636242125         2.019279178        -1.269643791    
H         -2.366775874        -1.118998306         1.068072319    
H         -3.282357217        -1.029824455       -0.1816216985    
H          1.728906489        -2.324377584         1.349442569    
H        -0.5977244135        -2.556316416         2.062084113    
H         -1.907619062        -2.742199935         2.925744355    
H          2.065791830         1.852768233       -0.5673741156    
    18
Energy=    -6256.57110294259    
O         -1.041308877         1.496203539       -0.7082024072    
O          2.724801149        -1.407041874        0.1890969386    
O          1.737057885         1.005318047       -0.9032742235    
O         -2.793726517       -0.4345889660        0.4077377985    
O          1.178794033        -2.813645405         2.089762677    
O         -1.632879324        -2.417711336         2.052727657    
H          1.743384365        -2.686982190         2.868619633    
H          3.108969063        -1.817132303       -0.6018866663    
H          2.360783753       -0.4995846323       -0.1815324093    
H         0.7050323679         1.157702880       -0.8798782055    
H         -1.675730072        0.7793139859       -0.2887350417    
H         -1.636157804         2.018769082        -1.270396491    
H         -2.366794763        -1.118875848         1.068148327    
H         -3.282587782        -1.029767969       -0.1813970989    
H          1.728932627        -2.324436416         1.349348101    
H        -0.5977199784        -2.556287739         2.062069213    
H         -1.907491321        -2.741724572         2.925970366    
H          2.065673179         1.852968272       -0.5668537707    
    18
Energy=    -6256.57108847324    
O         -1.041440805         1.496280696       -0.7085341570    
O          2.724703718        -1.407087598        0.1890289110    
O          1.737041479         1.005669661       -0.9026530734    
O         -2.793629032       -0.4344253123        0.4078560168    
O          1.178823416        -2.813948711         2.089476296    
O         -1.632809801        -2.417502575         2.052928604    
H          1.743678854        -2.688052312         2.868219109    
H          3.108820149        -1.816959698       -0.6020996575    
H          2.360678376       -0.4995173138       -0.1812977450    
H         0.7049959014         1.157906377       -0.8796343032    
H         -1.675822616        0.7794618660       -0.2888834443    
H         -1.636014770         2.017653694        -1.272040506    
H         -2.366658921        -1.118675835         1.068286360    
H         -3.282744862        -1.029604020       -0.1810603282    
H          1.728990825        -2.324576071         1.349173559    
H        -0.5976918343        -2.556329876         2.062089311    
H         -1.907276826        -2.741068040         2.926345286    
H          2.065388731         1.853271623       -0.5658758399    
    18
Energy=    -6256.57107469321    
O         -1.041475228         1.496408428       -0.7085916747    
O          2.724590198        -1.407187240        0.1889518685    
O          1.737007351         1.005729353       -0.9025084397    
O         -2.793516244       -0.4343226695        0.4079421560    
O          1.178880152        -2.813979535         2.089512258    
O         -1.632742634        -2.417473248         2.052963320    
H          1.743656046        -2.687916718         2.868239555    
H          3.108660072        -1.817012833       -0.6022278552    
H          2.360574358       -0.4995765411       -0.1812727513    
H         0.7049698748         1.157964376       -0.8795901851    
H         -1.675822789        0.7796069618       -0.2888588728    
H         -1.635972900         2.017355764        -1.272515472    
H         -2.366546698        -1.118587301         1.068357908    
H         -3.282645910        -1.029485426       -0.1809743386    
H          1.729033659        -2.324632526         1.349176423    
H        -0.5976333663        -2.556343859         2.062137025    
H         -1.907276657        -2.741354699         2.926205710    
H          2.065292698         1.853304269       -0.5656222369    
    18
Energy=    -6256.57105219083    
O         -1.041617139         1.495833988       -0.7095654239    
O          2.724486415        -1.407164107        0.1889689047    
O          1.737209184         1.006194879       -0.9016208430    
O         -2.793817576       -0.4339463677        0.4082913090    
O          1.178914000        -2.814680261         2.088975632    
O         -1.632490191        -2.416936389         2.053172133    
H          1.743937381        -2.689221662         2.867716988    
H          3.108534746        -1.816569140       -0.6024529942    
H          2.360522185       -0.4993587874       -0.1808098486    
H         0.7051041701         1.158052028       -0.8793972470    
H         -1.676156234        0.7794960562       -0.2892931174    
H         -1.635794379         2.016221785        -1.274355054    
H         -2.366440059        -1.118005548         1.068615891    
H         -3.283005133        -1.029387009       -0.1803196389    
H          1.729024720        -2.324990468         1.348808068    
H        -0.5974199286        -2.556254030         2.062102747    
H         -1.906925561        -2.740549383         2.926645485    
H          2.064965383         1.853760972       -0.5641585917    
    18
Energy=    -6256.57100508231    
O         -1.041350664         1.495804332       -0.7089087026    
O          2.723918222        -1.407838123        0.1885700024    
O          1.737241412         1.005283932       -0.9027492374    
O         -2.794078586       -0.4335934021        0.4087548649    
O          1.179280329        -2.813707350         2.090466332    
O         -1.632049043        -2.417233079         2.052460970    
H          1.742767422        -2.683787201         2.869520110    
H          3.107996141        -1.817443061       -0.6027429115    
H          2.360119359       -0.5000616151       -0.1814608629    
H         0.7052357317         1.157624402       -0.8797724113    
H         -1.676248097        0.7797275043       -0.2886935114    
H         -1.635655813         2.018382708        -1.271549017    
H         -2.366427432        -1.117666655         1.068811537    
H         -3.281873715        -1.029328508       -0.1806977256    
H          1.729034566        -2.324863728         1.349496819    
H        -0.5968588050        -2.555983178         2.062258204    
H         -1.907775134        -2.745701771         2.923649575    
H          2.065756090         1.852881350       -0.5660896367    
    18
Energy=    -6256.57096033433    
O         -1.041185518         1.495551212       -0.7086757281    
O          2.723743243        -1.408092993        0.1884294647    
O          1.737330937         1.004793501       -0.9034292874    
O         -2.794386682       -0.4334707229        0.4089476570    
O          1.179411598        -2.813199953         2.091192976    
O         -1.631893957        -2.417348727         2.052066340    
H          1.742284756        -2.681217319         2.870379508    
H          3.107960663        -1.817763645       -0.6027836755    
H          2.360011078       -0.5003546099       -0.1817921822    
H         0.7053681523         1.157361713       -0.8800479533    
H         -1.676353768        0.7796572903       -0.2885262160    
H         -1.635609842         2.019777796        -1.269705087    
H         -2.366571860        -1.117493283         1.068917261    
H         -3.281465765        -1.029432566       -0.1808718661    
H          1.728983199        -2.324802042         1.349817319    
H        -0.5966427467        -2.555794805         2.062289699    
H         -1.908202124        -2.748074050         2.922255827    
H          2.066250619         1.852399759       -0.5671396581    
    18
Energy=    -6256.57090890232    
O         -1.040895414         1.495568254       -0.7077377070    
O          2.723579757        -1.408427424        0.1882228209    
O          1.737319744         1.003877848       -0.9048836859    
O         -2.794660676       -0.4335561019        0.4089687505    
O          1.179563125        -2.812045948         2.092515914    
O         -1.631868220        -2.417853691         2.051375860    
H          1.741586402        -2.677157879         2.871839344    
H          3.108042192        -1.818464067       -0.6026688888    
H          2.359924635       -0.5008736772       -0.1825730794    
H         0.7054512406         1.157001207       -0.8804818687    
H         -1.676288872        0.7795693272       -0.2881091503    
H         -1.635649465         2.022382675        -1.266085355    
H         -2.366948698        -1.117665983         1.068893884    
H         -3.280765697        -1.029677236       -0.1814713367    
H          1.728932558        -2.324433892         1.350524265    
H        -0.5965177651        -2.555602512         2.062323199    
H         -1.908996616        -2.751608194         2.920162532    
H          2.067223752         1.851463851       -0.5694910994    
    18
Energy=    -6256.57084752723    
O         -1.040678322         1.495492017       -0.7072633620    
O          2.723551679        -1.408642139        0.1880668536    
O          1.737328693         1.003294405       -0.9059389105    
O         -2.794828102       -0.4335866065        0.4089848846    
O          1.179630152        -2.811301253         2.093315228    
O         -1.631934998        -2.418092610         2.051039184    
H          1.741092403        -2.674369966         2.872708684    
H          3.108436316        -1.818855708       -0.6025179132    
H          2.359909880       -0.5012389909       -0.1831738037    
H         0.7055224617         1.156758837       -0.8809359216    
H         -1.676228449        0.7794054235       -0.2879988458    
H         -1.635776789         2.024234782        -1.263510848    
H         -2.367321058        -1.117740518         1.069006568    
H         -3.280290050        -1.029852632       -0.1818138837    
H          1.728908385        -2.324288482         1.350897743    
H        -0.5965336588        -2.555428113         2.062359417    
H         -1.909576142        -2.754039644         2.918867671    
H          2.067819583         1.850747753       -0.5707683470    
    18
Energy=    -6256.57073828567    
O         -1.040592959         1.495671374       -0.7078745474    
O          2.722974855        -1.409293743        0.1876726613    
O          1.737392147         1.002681132       -0.9069950317    
O         -2.794288866       -0.4332224812        0.4094616309    
O          1.180136609        -2.810738439         2.094600505    
O         -1.631548450        -2.418242984         2.050877416    
H          1.739858041        -2.669254662         2.874485944    
H          3.108230900        -1.819917364       -0.6025400038    
H          2.359478670       -0.5020019152       -0.1840327099    
H         0.7056521598         1.156577551       -0.8818940134    
H         -1.675786504        0.7794164096       -0.2883859279    
H         -1.636593346         2.026942301        -1.260876942    
H         -2.367000665        -1.117469042         1.069625853    
H         -3.279459728        -1.029259124       -0.1818750617    
H          1.729163752        -2.324531177         1.351452575    
H        -0.5961064133        -2.555270472         2.062734312    
H         -1.910529039        -2.759440190         2.916242079    
H          2.068050821         1.849849382       -0.5713543393    
    18
Energy=    -6256.57061366547    
O         -1.040304251         1.496150435       -0.7076964293    
O          2.722468317        -1.410015040        0.1872026666    
O          1.737266626         1.002004813       -0.9082583854    
O         -2.793589064       -0.4327684122        0.4098524704    
O          1.180429432        -2.809925524         2.095832911    
O         -1.631317820        -2.418459607         2.050743688    
H          1.738441958        -2.663744775         2.875991956    
H          3.108184768        -1.820900281       -0.6026454765    
H          2.358967519       -0.5028896646       -0.1849042477    
H         0.7055958644         1.156250717       -0.8829653576    
H         -1.675321497        0.7797897756       -0.2880743465    
H         -1.637101949         2.028914096        -1.258471553    
H         -2.366847003        -1.117350614         1.070009224    
H         -3.278004237        -1.028738298       -0.1821001618    
H          1.729341828        -2.324778830         1.351899569    
H        -0.5957914629        -2.554990203         2.063124264    
H         -1.911445581        -2.764880578         2.913681964    
H          2.068058536         1.848828547       -0.5718983562    
    18
Energy=    -6256.57047731944    
O         -1.040243947         1.496778466       -0.7079337867    
O          2.721834544        -1.410660035        0.1868260579    
O          1.737111317         1.001755241       -0.9085232351    
O         -2.792681338       -0.4322215499        0.4103006135    
O          1.180774934        -2.809784587         2.096529274    
O         -1.630872688        -2.418502930         2.050818699    
H          1.737284778        -2.660097674         2.877044133    
H          3.107446937        -1.821726544       -0.6030045361    
H          2.358394908       -0.5035105429       -0.1852575801    
H         0.7054645971         1.156126059       -0.8835109684    
H         -1.674901228        0.7803434066       -0.2878613454    
H         -1.637500537         2.029441865        -1.258298511    
H         -2.366119326        -1.117076880         1.070304498    
H         -3.276918269        -1.027940529       -0.1820615111    
H          1.729572351        -2.325122636         1.352147589    
H        -0.5953073606        -2.554936848         2.063532898    
H         -1.911914339        -2.768829358         2.911883624    
H          2.067606647         1.848461632       -0.5716115139    
    18
Energy=    -6256.57039255700    
O         -1.040212271         1.497102294       -0.7080958007    
O          2.721456682        -1.410954701        0.1866420370    
O          1.736999020         1.001746508       -0.9083607427    
O         -2.792225537       -0.4318570631        0.4106126140    
O          1.180912430        -2.809910437         2.096699093    
O         -1.630570170        -2.418439589         2.050897031    
H          1.736741200        -2.658729557         2.877361880    
H          3.106873855        -1.822015660       -0.6032954822    
H          2.358058758       -0.5037287014       -0.1852779479    
H         0.7053490825         1.156077158       -0.8836390703    
H         -1.674720846        0.7807501814       -0.2876440877    
H         -1.637538137         2.029037166        -1.259041196    
H         -2.365635533        -1.116847386         1.070438323    
H         -3.276310850        -1.027494980       -0.1819374295    
H          1.729621036        -2.325366067         1.352156227    
H        -0.5949799744        -2.554896276         2.063714947    
H         -1.911973845        -2.770399813         2.911169952    
H          2.067187085         1.848423480       -0.5710759493    
    18
Energy=    -6256.57033346599    
O         -1.040274507         1.497272961       -0.7085847754    
O          2.721132965        -1.411071535        0.1865610331    
O          1.736928385         1.001990843       -0.9077135255    
O         -2.791908204       -0.4315163179        0.4109184126    
O          1.180992433        -2.810388617         2.096578401    
O         -1.630237783        -2.418269237         2.051000223    
H          1.736614528        -2.658874188         2.877302349    
H          3.106165768        -1.822031623       -0.6036198974    
H          2.357832018       -0.5036795202       -0.1850315728    
H         0.7052427214         1.156163200       -0.8834841291    
H         -1.674654924        0.7810916966       -0.2876527475    
H         -1.637480307         2.028010015        -1.260750968    
H         -2.365134527        -1.116561544         1.070541825    
H         -3.276104527        -1.027131059       -0.1815587900    
H          1.729568377        -2.325652869         1.352048384    
H        -0.5946373741        -2.554900709         2.063799030    
H         -1.911732233        -2.770647070         2.911073998    
H          2.066719174         1.848692130       -0.5701028512    
    18
Energy=    -6256.57029439077    
O         -1.040293074         1.497538109       -0.7086535471    
O          2.720882434        -1.411171697        0.1864366398    
O          1.736814988         1.002089679       -0.9073385019    
O         -2.791689645       -0.4313173282        0.4111140712    
O          1.181008427        -2.810558741         2.096620230    
O         -1.630035282        -2.418261662         2.051007047    
H          1.736568306        -2.658813222         2.877322798    
H          3.105673504        -1.822049298       -0.6038939634    
H          2.357662136       -0.5036732816       -0.1849510515    
H         0.7051233965         1.156218623       -0.8832928859    
H         -1.674604647        0.7814432401       -0.2875029781    
H         -1.637327771         2.027229352        -1.261955664    
H         -2.364810456        -1.116399433         1.070598331    
H         -3.275829878        -1.026941768       -0.1813650684    
H          1.729420700        -2.325782576         1.352014120    
H        -0.5944107523        -2.554881864         2.063819588    
H         -1.911605897        -2.770948695         2.910924047    
H          2.066485494         1.848777120       -0.5695788120    
    18
Energy=    -6256.57024486792    
O         -1.040505057         1.498113308       -0.7093530573    
O          2.720464886        -1.411318851        0.1861790201    
O          1.736667085         1.002477240       -0.9064437212    
O         -2.791203225       -0.4309810496        0.4114138061    
O          1.181129673        -2.811003372         2.096745194    
O         -1.629731290        -2.418332239         2.051140751    
H          1.737003851        -2.659565259         2.877340494    
H          3.104887945        -1.822036039       -0.6044045411    
H          2.357434124       -0.5035907652       -0.1848450068    
H         0.7049362194         1.156584336       -0.8829126850    
H         -1.674593995        0.7820669000       -0.2878376626    
H         -1.637330359         2.025972619        -1.264548855    
H         -2.364226339        -1.116104519         1.070744618    
H         -3.275812335        -1.026608947       -0.1806682859    
H          1.729186393        -2.326050715         1.352019175    
H        -0.5940732293        -2.555014563         2.063918960    
H         -1.911478172        -2.771121710         2.911012168    
H          2.066275809         1.849010181       -0.5681759715    
    18
Energy=    -6256.57016791363    
O         -1.040647441         1.499743472       -0.7083736738    
O          2.719886180        -1.411887439        0.1854456705    
O          1.736165614         1.002091528       -0.9065437691    
O         -2.790392654       -0.4309245645        0.4115227369    
O          1.181277970        -2.810215414         2.098037432    
O         -1.629708219        -2.419080743         2.050772067    
H          1.737070395        -2.657120781         2.878340609    
H          3.104065328        -1.822675526       -0.6051888583    
H          2.357013161       -0.5040455802       -0.1854967382    
H         0.7045603147         1.157028705       -0.8823808415    
H         -1.674413408        0.7832968779       -0.2871695833    
H         -1.637037111         2.025813137        -1.265681743    
H         -2.363630287        -1.116206001         1.070859236    
H         -3.274893351        -1.026434491       -0.1807237027    
H          1.728894377        -2.325936399         1.352657613    
H        -0.5940243765        -2.555282614         2.064387788    
H         -1.911939524        -2.774039570         2.909539282    
H          2.066785015         1.848371960       -0.5686791254    
    18
Energy=    -6256.57007276432    
O         -1.040758922         1.501176783       -0.7074291836    
O          2.719519299        -1.412351180        0.1848388293    
O          1.735824203         1.001656808       -0.9070994397    
O         -2.789825649       -0.4309852187        0.4115350347    
O          1.181511901        -2.809220605         2.099325924    
O         -1.629828965        -2.419967827         2.050480972    
H          1.737222138        -2.654643296         2.879465300    
H          3.103709724        -1.823354795       -0.6056695854    
H          2.356681507       -0.5045728278       -0.1863089507    
H         0.7043467087         1.157376073       -0.8822530680    
H         -1.674280049        0.7842939404       -0.2867135305    
H         -1.637033989         2.026446028        -1.265584539    
H         -2.363391070        -1.116431441         1.070883209    
H         -3.274161054        -1.026414570       -0.1809260998    
H          1.728811206        -2.325700280         1.353284508    
H        -0.5941034833        -2.555514751         2.064727487    
H         -1.912764348        -2.776886657         2.908232334    
H          2.067552824         1.847590374       -0.5694648032    
    18
Energy=    -6256.56998485132    
O         -1.040758569         1.502279569       -0.7059811240    
O          2.719423843        -1.412813200        0.1843983511    
O          1.735562735         1.001007595       -0.9081223149    
O         -2.789551742       -0.4312506843        0.4113434053    
O          1.181738918        -2.808016976         2.100366091    
O         -1.630120305        -2.420719474         2.050225485    
H          1.736895230        -2.651503000         2.880508148    
H          3.103891667        -1.824061238       -0.6058583425    
H          2.356452879       -0.5052267599       -0.1870896138    
H         0.7042453099         1.157530164       -0.8822809179    
H         -1.674174682        0.7849308812       -0.2859897483    
H         -1.637000464         2.027725324        -1.263996624    
H         -2.363567768        -1.116821326         1.070871256    
H         -3.273387995        -1.026606577       -0.1815968350    
H          1.729028645        -2.325319445         1.353796897    
H        -0.5943723620        -2.555700793         2.064999934    
H         -1.913735817        -2.779668635         2.906912142    
H          2.068462462         1.846731130       -0.5711817899    
    18
Energy=    -6256.56993888679    
O         -1.040745942         1.502630471       -0.7053394193    
O          2.719462643        -1.412944357        0.1842631363    
O          1.735510621         1.000718005       -0.9087622218    
O         -2.789569000       -0.4313675529        0.4112803737    
O          1.181899581        -2.807491820         2.100714015    
O         -1.630294202        -2.421040461         2.050135174    
H          1.736692130        -2.650060186         2.880944603    
H          3.104083252        -1.824391912       -0.6058295919    
H          2.356370807       -0.5055080337       -0.1874647738    
H         0.7042612052         1.157582933       -0.8824746666    
H         -1.674166263        0.7851493107       -0.2855917142    
H         -1.637028732         2.028407430        -1.262993084    
H         -2.363788444        -1.116993304         1.070864475    
H         -3.273009017        -1.026719658       -0.1820054187    
H          1.729296071        -2.325138834         1.353983592    
H        -0.5945533590        -2.555800627         2.065136615    
H         -1.914269903        -2.780814223         2.906375124    
H          2.068880535         1.846279375       -0.5719118198    
    18
Energy=    -6256.56991704944    
O         -1.040674909         1.502753137       -0.7047624400    
O          2.719578467        -1.413002005        0.1842709569    
O          1.735485855         1.000390683       -0.9093844203    
O         -2.789701410       -0.4314929846        0.4111846253    
O          1.182052648        -2.807090966         2.101008981    
O         -1.630388975        -2.421313607         2.049985892    
H          1.736317096        -2.648649323         2.881368732    
H          3.104135322        -1.824726430       -0.6057299189    
H          2.356382945       -0.5057160698       -0.1877059774    
H         0.7043030450         1.157540452       -0.8826636749    
H         -1.674141136        0.7852059781       -0.2852029607    
H         -1.637064733         2.029262317        -1.261555416    
H         -2.364007748        -1.117166113         1.070733482    
H         -3.272718964        -1.026852785       -0.1824698666    
H          1.729560815        -2.324981434         1.354191456    
H        -0.5946434808        -2.555871939         2.065217634    
H         -1.914686349        -2.781743010         2.905837459    
H          2.069243495         1.845950657       -0.5730001464    
    18
Energy=    -6256.56985122486    
O         -1.040606695         1.503128731       -0.7039872178    
O          2.719363112        -1.413072212        0.1842090228    
O          1.735436581         1.000108076       -0.9100296262    
O         -2.789901629       -0.4315383619        0.4112489810    
O          1.182396997        -2.806611078         2.101504503    
O         -1.630419200        -2.421850651         2.049561882    
H          1.736115614        -2.647291307         2.881973100    
H          3.103661796        -1.825322193       -0.6056589980    
H          2.356100968       -0.5059464279       -0.1881002756    
H         0.7043207850         1.157566438       -0.8829777868    
H         -1.674002877        0.7855709569       -0.2843633331    
H         -1.637092913         2.029720608        -1.260792427    
H         -2.364084675        -1.117282172         1.070535385    
H         -3.272208867        -1.026886353       -0.1829934561    
H          1.730018763        -2.324568157         1.354618743    
H        -0.5946541221        -2.555918773         2.065311192    
H         -1.915114369        -2.782898055         2.905067868    
H          2.069702716         1.845587488       -0.5738031602    
    18
Energy=    -6256.56967895667    
O         -1.040135740         1.503203705       -0.7028007750    
O          2.718940853        -1.413262076        0.1843196502    
O          1.735469388        0.9988417314       -0.9126604168    
O         -2.790038007       -0.4319606453        0.4108668259    
O          1.182759229        -2.804550266         2.103659044    
O         -1.630551184        -2.423338663         2.048160782    
H          1.735775759        -2.643397903         2.884167113    
H          3.103226417        -1.826762156       -0.6048768559    
H          2.355751899       -0.5066396199       -0.1892093455    
H         0.7045068238         1.156851287       -0.8845354010    
H         -1.673541195        0.7854803077       -0.2835118854    
H         -1.637641969         2.034029021        -1.254240330    
H         -2.364169389        -1.118069280         1.069628826    
H         -3.271689180        -1.026890952       -0.1842899443    
H          1.730398526        -2.323168679         1.356274996    
H        -0.5946620309        -2.555798845         2.065402159    
H         -1.916052202        -2.786539739         2.902502103    
H          2.070683986         1.844469328       -0.5775321455    
    18
Energy=    -6256.56941458697    
O         -1.039564242         1.504397629       -0.7010322210    
O          2.717997713        -1.414064270        0.1843339582    
O          1.735115991        0.9976596096       -0.9147215941    
O         -2.789239924       -0.4322991467        0.4102607051    
O          1.183120997        -2.802051341         2.106898791    
O         -1.630313541        -2.425243814         2.046303684    
H          1.736070485        -2.639274838         2.887233846    
H          3.101068384        -1.828769043       -0.6049374569    
H          2.354981467       -0.5076881327       -0.1897300474    
H         0.7044534066         1.157000076       -0.8851122631    
H         -1.672829291        0.7861454936       -0.2824766574    
H         -1.638023822         2.037676634        -1.249481545    
H         -2.363474062        -1.119096086         1.068240384    
H         -3.271448547        -1.026654487       -0.1851169915    
H          1.730358157        -2.321881751         1.358520808    
H        -0.5941453358        -2.555851306         2.065351166    
H         -1.916677115        -2.791275462         2.899090623    
H          2.071581263         1.843766791       -0.5823007908    
    18
Energy=    -6256.56910390932    
O         -1.039032944         1.504670294       -0.7000823645    
O          2.717399663        -1.414546652        0.1843626993    
O          1.735001072        0.9964250579       -0.9167253245    
O         -2.788629041       -0.4327838117        0.4095698688    
O          1.183036455        -2.799880026         2.109441373    
O         -1.630257100        -2.426529074         2.044887746    
H          1.736088481        -2.635975052         2.889522722    
H          3.100475739        -1.830006940       -0.6044803434    
H          2.354715172       -0.5083684222       -0.1904924610    
H         0.7044483651         1.156266480       -0.8859359624    
H         -1.672278746        0.7859010580       -0.2823831680    
H         -1.638519301         2.042022830        -1.243391043    
H         -2.363074284        -1.120048951         1.067260060    
H         -3.271526642        -1.026496087       -0.1858778013    
H          1.729931342        -2.320620943         1.360267583    
H        -0.5939179148        -2.555684013         2.065297442    
H         -1.917087983        -2.794913965         2.896509651    
H          2.072259650         1.843064774       -0.5864262774    
    18
Energy=    -6256.56896468380    
O         -1.038904332         1.504869944       -0.6998378874    
O          2.717189129        -1.414772860        0.1843006359    
O          1.734936251        0.9961390425       -0.9170648679    
O         -2.788248945       -0.4329235390        0.4093257501    
O          1.182891720        -2.799267317         2.110164898    
O         -1.630233570        -2.426788681         2.044571980    
H          1.736248924        -2.635315277         2.890094244    
H          3.100359879        -1.830237301       -0.6044881182    
H          2.354633800       -0.5085620295       -0.1906155391    
H         0.7044030915         1.156099540       -0.8859400140    
H         -1.672118625        0.7858498767       -0.2825207743    
H         -1.638614390         2.043009621        -1.242212028    
H         -2.362854313        -1.120339051         1.067038732    
H         -3.271670741        -1.026407435       -0.1859153281    
H          1.729602004        -2.320343973         1.360690814    
H        -0.5938347779        -2.555624351         2.065255380    
H         -1.917090507        -2.795857874         2.895889500    
H          2.072337386         1.842968220       -0.5874129797    
    18
Energy=    -6256.56885859113    
O         -1.038815477         1.504934490       -0.6996895567    
O          2.717181672        -1.414944494        0.1842598032    
O          1.734882051        0.9959157832       -0.9172053199    
O         -2.787894455       -0.4330808308        0.4090564329    
O          1.182706799        -2.798898812         2.110556295    
O         -1.630264734        -2.426815563         2.044506460    
H          1.736292593        -2.634810976         2.890359207    
H          3.100567025        -1.830219851       -0.6045082868    
H          2.354706875       -0.5086804812       -0.1906397424    
H         0.7043161252         1.155866368       -0.8858768171    
H         -1.672089516        0.7856692930       -0.2828748269    
H         -1.638627195         2.043837975        -1.241168015    
H         -2.362763105        -1.120581221         1.066993098    
H         -3.271879977        -1.026369046       -0.1859197642    
H          1.729307088        -2.320258065         1.360859299    
H        -0.5938479688        -2.555596465         2.065221458    
H         -1.917137391        -2.796413344         2.895602893    
H          2.072391573         1.842941796       -0.5882082182    
    18
Energy=    -6256.56865833750    
O         -1.038615581         1.505505450       -0.6983759120    
O          2.716987797        -1.415148327        0.1841671987    
O          1.734581661        0.9955468026       -0.9174416293    
O         -2.787421869       -0.4332222123        0.4088980609    
O          1.182767469        -2.798421846         2.111326526    
O         -1.630092530        -2.427073218         2.044020969    
H          1.736216590        -2.633310213         2.891087675    
H          3.099610429        -1.830519389       -0.6048438789    
H          2.354599169       -0.5087737894       -0.1906526256    
H         0.7039242389         1.155622822       -0.8855329530    
H         -1.672121564        0.7858981307       -0.2824721568    
H         -1.638075567         2.044084893        -1.240708116    
H         -2.362574846        -1.121001048         1.066975856    
H         -3.271503105        -1.026138303       -0.1863644420    
H          1.729185619        -2.320091325         1.361299613    
H        -0.5936842002        -2.555701994         2.065124928    
H         -1.917417776        -2.797581171         2.894589363    
H          2.072666048         1.842821294       -0.5897740784    
    18
Energy=    -6256.56837988779    
O         -1.038084745         1.505848459       -0.6947749902    
O          2.716841368        -1.415034065        0.1845052044    
O          1.734449333        0.9936072552       -0.9215564448    
O         -2.787743174       -0.4336699961        0.4088476917    
O          1.183223713        -2.796074950         2.113780492    
O         -1.630039993        -2.428373416         2.042037385    
H          1.735012923        -2.626805026         2.893922644    
H          3.097898713        -1.832108156       -0.6044105438    
H          2.354533758       -0.5091350411       -0.1917115888    
H         0.7041480426         1.154244154       -0.8864553813    
H         -1.671991600        0.7856681986       -0.2802289357    
H         -1.637411200         2.048287412        -1.233120786    
H         -2.363295029        -1.122419885         1.066266814    
H         -3.269357627        -1.025986239       -0.1889466076    
H          1.729532959        -2.318804274         1.363062902    
H        -0.5933291102        -2.555886939         2.064805262    
H         -1.918970770        -2.801929800         2.890738312    
H          2.073614421         1.841068865       -0.5954370315    
    18
Energy=    -6256.56802179944    
O         -1.037491174         1.506731948       -0.6909246918    
O          2.716715568        -1.414989713        0.1846869435    
O          1.733910291        0.9921896305       -0.9239117849    
O         -2.787984081       -0.4339614584        0.4088683229    
O          1.183990582        -2.794669492         2.115682222    
O         -1.629662396        -2.429610424         2.040302588    
H          1.733724219        -2.621074380         2.896287337    
H          3.095092631        -1.833683436       -0.6045867068    
H          2.354253990       -0.5094160760       -0.1922352979    
H         0.7037500774         1.153695995       -0.8865112728    
H         -1.671975401        0.7862405439       -0.2776614394    
H         -1.636219897         2.049962213        -1.229137297    
H         -2.363584634        -1.123335580         1.065754993    
H         -3.267278818        -1.025797257       -0.1912333956    
H          1.730221530        -2.318065131         1.364471380    
H        -0.5928902392        -2.556235882         2.064612720    
H         -1.920239010        -2.805481473         2.887393713    
H          2.074698744         1.839996528       -0.6005339343    
    18
Energy=    -6256.56777434090    
O         -1.037107852         1.506957682       -0.6887061785    
O          2.716734114        -1.414838982        0.1848866749    
O          1.733713572        0.9911788287       -0.9258650143    
O         -2.788518389       -0.4341730232        0.4089253102    
O          1.184519176        -2.793696129         2.116799890    
O         -1.629554936        -2.430491810         2.039183315    
H          1.732685640        -2.617203154         2.897776936    
H          3.093737264        -1.834777924       -0.6043684417    
H          2.354156424       -0.5096242291       -0.1927793515    
H         0.7037075075         1.153259465       -0.8870160966    
H         -1.671921300        0.7864565228       -0.2758782181    
H         -1.635726515         2.051637072        -1.225473798    
H         -2.363978437        -1.123861702         1.065315723    
H         -3.265874793        -1.025841767       -0.1928702402    
H          1.730832996        -2.317446210         1.365392357    
H        -0.5927173057        -2.556356096         2.064528429    
H         -1.921126613        -2.807790545         2.885287575    
H          2.075471432         1.839108558       -0.6038144718    
    18
Energy=    -6256.56763403161    
O         -1.036891203         1.507175731       -0.6875329583    
O          2.716700722        -1.414777760        0.1849656082    
O          1.733563869        0.9907318069       -0.9266679390    
O         -2.788882597       -0.4342344162        0.4089766940    
O          1.184856227        -2.793307610         2.117323570    
O         -1.629450501        -2.431023392         2.038581600    
H          1.732091243        -2.615274390         2.898532470    
H          3.092842230        -1.835446793       -0.6043062256    
H          2.354083917       -0.5097361712       -0.1930330091    
H         0.7036346781         1.153223626       -0.8871914555    
H         -1.671830099        0.7867533729       -0.2747530642    
H         -1.635499670         2.052111756        -1.224085751    
H         -2.364137306        -1.123995724         1.065043288    
H         -3.265119527        -1.025922080       -0.1936945908    
H          1.731219362        -2.317162498         1.365849825    
H        -0.5925956951        -2.556412517         2.064512859    
H         -1.921484593        -2.808936994         2.884241084    
H          2.075930927         1.838730610       -0.6054376067    
    18
Energy=    -6256.56756489586    
O         -1.036761707         1.507233296       -0.6870322354    
O          2.716677097        -1.414734770        0.1850193904    
O          1.733531359        0.9904906884       -0.9271352895    
O         -2.789177069       -0.4342452721        0.4089796120    
O          1.185006959        -2.793073507         2.117575638    
O         -1.629409615        -2.431339430         2.038244275    
H          1.731715265        -2.614283226         2.898931919    
H          3.092487323        -1.835847214       -0.6041657091    
H          2.354067702       -0.5098100188       -0.1932259636    
H         0.7036436370         1.153213218       -0.8873646062    
H         -1.671703587        0.7868791173       -0.2741622055    
H         -1.635528440         2.052442789        -1.223102103    
H         -2.364293096        -1.123952578         1.064889240    
H         -3.264722537        -1.026062412       -0.1941238011    
H          1.731415161        -2.316970971         1.366088258    
H        -0.5925436024        -2.556426491         2.064471550    
H         -1.921568922        -2.809530333         2.883721156    
H          2.076196056         1.838513672       -0.6062847272    
    18
Energy=    -6256.56747728306    
O         -1.036654698         1.507696308       -0.6861194571    
O          2.716483414        -1.414829605        0.1849875368    
O          1.733380569        0.9903029443       -0.9272898951    
O         -2.789442332       -0.4341662679        0.4089519315    
O          1.185099342        -2.792830029         2.117842926    
O         -1.629309090        -2.431648643         2.037785279    
H          1.731220465        -2.613186488         2.899356492    
H          3.091820528        -1.836367674       -0.6041983160    
H          2.353939705       -0.5099451483       -0.1933932529    
H         0.7035712623         1.153329208       -0.8871067620    
H         -1.671389083        0.7872249497       -0.2732054085    
H         -1.635492999         2.051978160        -1.223085612    
H         -2.364440894        -1.123659229         1.064861794    
H         -3.264068259        -1.026354998       -0.1945287378    
H          1.731520385        -2.316791214         1.366238083    
H        -0.5924272447        -2.556472392         2.064230120    
H         -1.921322866        -2.810219322         2.883162324    
H          2.076543779         1.838435998       -0.6071646460    
    18
Energy=    -6256.56736613625    
O         -1.036472269         1.508116961       -0.6850894344    
O          2.716328823        -1.414987034        0.1849291794    
O          1.733327827        0.9900022356       -0.9276328719    
O         -2.789712642       -0.4341238834        0.4088287784    
O          1.185018672        -2.792366639         2.118075408    
O         -1.629267191        -2.431895510         2.037375977    
H          1.730546404        -2.611771386         2.899790013    
H          3.091550253        -1.836902198       -0.6040732688    
H          2.353855726       -0.5101417689       -0.1936688301    
H         0.7035380237         1.153334417       -0.8868675982    
H         -1.671080865        0.7874629782       -0.2723885476    
H         -1.635580978         2.051773441        -1.222289564    
H         -2.364788116        -1.123356042         1.064928377    
H         -3.263310777        -1.026797489       -0.1950033805    
H          1.731505041        -2.316522455         1.366407738    
H        -0.5923552285        -2.556502272         2.063808646    
H         -1.920992816        -2.811059794         2.882538933    
H          2.076922094         1.838232996       -0.6083451553    
    18
Energy=    -6256.56725367818    
O         -1.036423449         1.508674258       -0.6839745363    
O          2.716216353        -1.415227423        0.1848301129    
O          1.733194547        0.9897734621       -0.9276945155    
O         -2.789748674       -0.4341146891        0.4086775660    
O          1.184843498        -2.791977181         2.118227898    
O         -1.629306560        -2.431915996         2.037111694    
H          1.729954701        -2.610535866         2.900068734    
H          3.091420638        -1.837216065       -0.6041425216    
H          2.353760990       -0.5103877856       -0.1938473634    
H         0.7034675273         1.153291153       -0.8863225329    
H         -1.670835834        0.7876313001       -0.2716810394    
H         -1.635498599         2.051306183        -1.222194624    
H         -2.365014103        -1.123134631         1.065114199    
H         -3.262621900        -1.027203814       -0.1953260488    
H          1.731342591        -2.316406733         1.366349213    
H        -0.5923660675        -2.556471909         2.063345515    
H         -1.920609318        -2.811776943         2.882116462    
H          2.077255643         1.838189236       -0.6093338140    
    18
Energy=    -6256.56710223188    
O         -1.036391988         1.509101502       -0.6825442056    
O          2.716276733        -1.415579389        0.1846921335    
O          1.733099219        0.9893542721       -0.9280637345    
O         -2.789749546       -0.4343274891        0.4084590758    
O          1.184522772        -2.791345223         2.118283228    
O         -1.629558654        -2.431799963         2.037032062    
H          1.728959489        -2.608543846         2.900356522    
H          3.092019701        -1.837495553       -0.6040675735    
H          2.353898440       -0.5107652378       -0.1941884171    
H         0.7034345895         1.153091341       -0.8858002643    
H         -1.670836426        0.7876547458       -0.2709798947    
H         -1.635408480         2.051481169        -1.220977576    
H         -2.365341244        -1.123276010         1.065286466    
H         -3.261845361        -1.027715186       -0.1958770532    
H          1.731143745        -2.316285999         1.366172038    
H        -0.5925732145        -2.556188731         2.062872278    
H         -1.920419939        -2.812835438         2.881621425    
H          2.077802148         1.837971591       -0.6109521110    
    18
Energy=    -6256.56692960803    
O         -1.036424741         1.509486106       -0.6808399512    
O          2.716616190        -1.415979746        0.1844262918    
O          1.732944283        0.9887987979       -0.9285509160    
O         -2.789830920       -0.4347575683        0.4081926179    
O          1.183898848        -2.790654631         2.118264721    
O         -1.629868900        -2.431667125         2.037165055    
H          1.727660557        -2.605942391         2.900342288    
H          3.093196250        -1.837790475       -0.6040372709    
H          2.354134791       -0.5112418406       -0.1945516739    
H         0.7034418312         1.152962909       -0.8852611896    
H         -1.670917948        0.7875904984       -0.2701299888    
H         -1.635213508         2.052034825        -1.219305680    
H         -2.365657714        -1.123614151         1.065427477    
H         -3.261070675        -1.028272673       -0.1966616371    
H          1.730955824        -2.316220895         1.366117717    
H        -0.5927415221        -2.555726936         2.062482750    
H         -1.920554843        -2.814155660         2.881225931    
H          2.078464179         1.837647511       -0.6129821422    
    18
Energy=    -6256.56665901618    
O         -1.036526628         1.509517661       -0.6791989650    
O          2.717172625        -1.416456123        0.1841911061    
O          1.732841523        0.9881333354       -0.9293871273    
O         -2.789902744       -0.4354792476        0.4079217697    
O          1.183382945        -2.789847552         2.118083337    
O         -1.630420482        -2.431390634         2.037535364    
H          1.725923383        -2.602796427         2.900443681    
H          3.095130240        -1.838041137       -0.6037893169    
H          2.354811363       -0.5118173714       -0.1950188751    
H         0.7034863422         1.152763822       -0.8848991393    
H         -1.671424139        0.7873924508       -0.2693349854    
H         -1.635088336         2.053560766        -1.216360328    
H         -2.365995902        -1.124540282         1.065321216    
H         -3.260452980        -1.028822116       -0.1976207631    
H          1.730893709        -2.316240447         1.365756053    
H        -0.5931928485        -2.554961535         2.062433855    
H         -1.921038051        -2.815680873         2.880827460    
H          2.079431962         1.837202266       -0.6155799445    
    18
Energy=    -6256.56650060435    
O         -1.036561364         1.509414638       -0.6785827613    
O          2.717501131        -1.416613668        0.1840827393    
O          1.732780887        0.9878255808       -0.9297572282    
O         -2.790052055       -0.4358344348        0.4078488567    
O          1.183167987        -2.789562052         2.117958487    
O         -1.630696608        -2.431373660         2.037721075    
H          1.725067570        -2.601363030         2.900445224    
H          3.096079563        -1.838205572       -0.6036262175    
H          2.355142435       -0.5120769116       -0.1953053266    
H         0.7035078384         1.152765785       -0.8848078184    
H         -1.671687084        0.7873320993       -0.2689170986    
H         -1.635061989         2.054378259        -1.214885170    
H         -2.366046896        -1.124998073         1.065114191    
H         -3.260235132        -1.029070638       -0.1980818445    
H          1.730941978        -2.316274476         1.365651770    
H        -0.5934148514        -2.554461654         2.062552699    
H         -1.921324147        -2.816375056         2.880699550    
H          2.079922721         1.836989420       -0.6167867292    
    18
Energy=    -6256.56636482664    
O         -1.036571849         1.509169171       -0.6783229358    
O          2.717899648        -1.416637630        0.1840501852    
O          1.732792088        0.9875768203       -0.9301333472    
O         -2.790370540       -0.4361339703        0.4078427090    
O          1.183094954        -2.789397861         2.117843146    
O         -1.630888968        -2.431461246         2.037833858    
H          1.724263672        -2.600252424         2.900530804    
H          3.096908624        -1.838438970       -0.6033410295    
H          2.355450030       -0.5123463958       -0.1956607640    
H         0.7035840976         1.152861687       -0.8849395561    
H         -1.671869943        0.7872201398       -0.2686377484    
H         -1.635239922         2.055362581        -1.213245802    
H         -2.366111702        -1.125367060         1.064767605    
H         -3.260158003        -1.029278372       -0.1984813962    
H          1.731005379        -2.316233881         1.365584397    
H        -0.5935887267        -2.554036048         2.062842314    
H         -1.921566982        -2.816919440         2.880608880    
H          2.080400126         1.836809457       -0.6178169194    
    18
Energy=    -6256.56621887014    
O         -1.036481155         1.508924018       -0.6780917997    
O          2.718408603        -1.416646667        0.1840453734    
O          1.732856822        0.9872261947       -0.9305991816    
O         -2.790730053       -0.4364516613        0.4077040856    
O          1.183011480        -2.789136084         2.117755350    
O         -1.631038775        -2.431534003         2.037996821    
H          1.723467704        -2.599007513         2.900610870    
H          3.097878471        -1.838542212       -0.6030709683    
H          2.355764938       -0.5126740112       -0.1959486531    
H         0.7036498744         1.152832853       -0.8851598996    
H         -1.671911055        0.7870065694       -0.2684425735    
H         -1.635438076         2.056613769        -1.211246096    
H         -2.366389080        -1.125622920         1.064459397    
H         -3.260159662        -1.029541187       -0.1989238470    
H          1.730997513        -2.316154758         1.365431129    
H        -0.5937262292        -2.553884122         2.063239014    
H         -1.921910419        -2.817502711         2.880524955    
H          2.080781082         1.836590999       -0.6189595779    
    18
Energy=    -6256.56603981466    
O         -1.036198406         1.508386178       -0.6775440160    
O          2.719423706        -1.416757201        0.1840604880    
O          1.732966329        0.9863440185       -0.9317086341    
O         -2.791405754       -0.4369900249        0.4071313132    
O          1.182739607        -2.788334672         2.117579144    
O         -1.631312123        -2.431640432         2.038500452    
H          1.722058266        -2.596283995         2.900709841    
H          3.100143935        -1.838371483       -0.6025270308    
H          2.356314371       -0.5131717236       -0.1965068895    
H         0.7040089403         1.152090983       -0.8857531278    
H         -1.671693862        0.7865822684       -0.2683276552    
H         -1.635798777         2.059477747        -1.206554496    
H         -2.367325026        -1.126037634         1.064142823    
H         -3.260236805        -1.030197545       -0.1999080368    
H          1.730893481        -2.315854905         1.365060556    
H        -0.5940202443        -2.554014381         2.064012959    
H         -1.922799354        -2.818705551         2.880276517    
H          2.081273699         1.835974909       -0.6213198094    
    18
Energy=    -6256.56584254384    
O         -1.035849253         1.508080639       -0.6770676172    
O          2.720134572        -1.416810602        0.1840535603    
O          1.733081315        0.9855988349       -0.9325806800    
O         -2.791814751       -0.4373762513        0.4066267159    
O          1.182506564        -2.787655709         2.117501609    
O         -1.631590632        -2.431670579         2.038876755    
H          1.721198494        -2.594250050         2.900709525    
H          3.101859752        -1.838065711       -0.6022324132    
H          2.356655725       -0.5135576195       -0.1968205986    
H         0.7040955272         1.151442863       -0.8861325374    
H         -1.671469744        0.7861585868       -0.2682350388    
H         -1.635887889         2.061512485        -1.203201811    
H         -2.368084240        -1.126174590         1.064000916    
H         -3.260241930        -1.030692483       -0.2006112611    
H          1.730759212        -2.315653170         1.364717693    
H        -0.5942851366        -2.554252340         2.064520509    
H         -1.923487882        -2.819610982         2.880142326    
H          2.081452279         1.835473234       -0.6229432526    
    18
Energy=    -6256.56572664988    
O         -1.035636419         1.507990509       -0.6767241685    
O          2.720455558        -1.416872368        0.1840302218    
O          1.733127236        0.9851818638       -0.9330254833    
O         -2.791949103       -0.4375512662        0.4062936119    
O          1.182329768        -2.787238196         2.117465518    
O         -1.631745867        -2.431650979         2.039118026    
H          1.720853944        -2.593161691         2.900651565    
H          3.102769196        -1.837796842       -0.6021516232    
H          2.356787468       -0.5137057726       -0.1969355713    
H         0.7041375377         1.150955787       -0.8862749310    
H         -1.671303006        0.7859691650       -0.2681874798    
H         -1.635852134         2.062471432        -1.201588722    
H         -2.368537056        -1.126199378         1.064042203    
H         -3.260224128        -1.030967880       -0.2009765254    
H          1.730673183        -2.315566127         1.364524724    
H        -0.5944256076        -2.554470177         2.064719442    
H         -1.923881346        -2.820081907         2.880071846    
H          2.081452760         1.835190383       -0.6237282544    
    18
Energy=    -6256.56557305087    
O         -1.035313706         1.508023241       -0.6760737236    
O          2.720700269        -1.416975284        0.1839310653    
O          1.733109115        0.9846407288       -0.9334644616    
O         -2.791987568       -0.4377114812        0.4058902590    
O          1.182078758        -2.786744306         2.117425315    
O         -1.632092896        -2.431623437         2.039424834    
H          1.720644089        -2.591834607         2.900445389    
H          3.103831016        -1.837320967       -0.6022228106    
H          2.356852107       -0.5138057705       -0.1970271369    
H         0.7040458541         1.150276879       -0.8862668233    
H         -1.671101507        0.7858018111       -0.2679958561    
H         -1.635533423         2.063219607        -1.200204841    
H         -2.368942988        -1.126146982         1.064172615    
H         -3.260059143        -1.031307848       -0.2013773948    
H          1.730568643        -2.315532836         1.364288107    
H        -0.5947292827        -2.554604253         2.064811808    
H         -1.924339977        -2.820667997         2.880041021    
H          2.081302625         1.834810059       -0.6244729673    
    18
Energy=    -6256.56546767664    
O         -1.035112368         1.508037264       -0.6756441344    
O          2.720782441        -1.417037103        0.1838615332    
O          1.733051620        0.9843204230       -0.9337048267    
O         -2.792001966       -0.4377519049        0.4056847595    
O          1.181987658        -2.786522854         2.117409716    
O         -1.632398790        -2.431629434         2.039584526    
H          1.720599975        -2.591081822         2.900305870    
H          3.104437761        -1.837020253       -0.6022813927    
H          2.356890952       -0.5138260552       -0.1970850501    
H         0.7039423658         1.149901507       -0.8862481401    
H         -1.670981891        0.7856662614       -0.2679030459    
H         -1.635270141         2.063573212        -1.199489045    
H         -2.369085010        -1.126088654         1.064228270    
H         -3.259914887        -1.031504921       -0.2015855134    
H          1.730525061        -2.315501518         1.364172210    
H        -0.5950096380        -2.554573867         2.064802183    
H         -1.924577244        -2.821014507         2.880054651    
H          2.081166083         1.834550782       -0.6248381733    
    18
Energy=    -6256.56539659973    
O         -1.034900747         1.508053551       -0.6751865223    
O          2.720795423        -1.417071343        0.1837403570    
O          1.732909505        0.9839512399       -0.9339601342    
O         -2.792004388       -0.4378557416        0.4055500589    
O          1.182033638        -2.786321661         2.117362598    
O         -1.632660644        -2.431649620         2.039799827    
H          1.720515789        -2.590320512         2.900138481    
H          3.105053817        -1.836736493       -0.6023080198    
H          2.356978350       -0.5138512478       -0.1971447507    
H         0.7038879395         1.149534856       -0.8861541998    
H         -1.670833812        0.7854936493       -0.2679035090    
H         -1.635018747         2.063926307        -1.198746817    
H         -2.369253844        -1.125952505         1.064193393    
H         -3.259755754        -1.031673769       -0.2017807765    
H          1.730494692        -2.315428533         1.364120158    
H        -0.5954106536        -2.554539161         2.064761448    
H         -1.924828736        -2.821360706         2.880059909    
H          2.081030155         1.834298245       -0.6252171038    
    18
Energy=    -6256.56529677305    
O         -1.034691763         1.507939559       -0.6748367521    
O          2.720794247        -1.417096908        0.1836727088    
O          1.732793581        0.9836561641       -0.9342765532    
O         -2.792095122       -0.4378186895        0.4054763722    
O          1.182148645        -2.786256513         2.117372860    
O         -1.633076535        -2.431707406         2.039868969    
H          1.720526905        -2.589717790         2.900051719    
H          3.105639210        -1.836512897       -0.6022398223    
H          2.357108675       -0.5138485512       -0.1972494245    
H         0.7037668679         1.149327048       -0.8862871734    
H         -1.670733323        0.7852046643       -0.2680026649    
H         -1.634796604         2.064340410        -1.197833838    
H         -2.369285398        -1.125862599         1.064120124    
H         -3.259573764        -1.031829218       -0.2019361059    
H          1.730473718        -2.315269225         1.364090536    
H        -0.5958580279        -2.554332023         2.064683241    
H         -1.924982504        -2.821678842         2.880117946    
H          2.080873176         1.833959372       -0.6254677437    
    18
Energy=    -6256.56523725467    
O         -1.034638999         1.507866475       -0.6748216064    
O          2.720777610        -1.417097303        0.1836608551    
O          1.732737271        0.9835892608       -0.9343478849    
O         -2.792141712       -0.4377802688        0.4054792048    
O          1.182280660        -2.786325855         2.117373920    
O         -1.633178963        -2.431725027         2.039872287    
H          1.720511012        -2.589608535         2.900063963    
H          3.105748880        -1.836503641       -0.6021768504    
H          2.357201986       -0.5138446494       -0.1972488250    
H         0.7037381338         1.149353906       -0.8863306097    
H         -1.670698314        0.7850428799       -0.2681769480    
H         -1.634788325         2.064542677        -1.197465191    
H         -2.369275370        -1.125826065         1.064046202    
H         -3.259581023        -1.031851552       -0.2019535898    
H          1.730494894        -2.315174309         1.364131864    
H        -0.5959858880        -2.554296925         2.064657650    
H         -1.925012817        -2.821744570         2.880153533    
H          2.080842947         1.833880058       -0.6255935753    
    18
Energy=    -6256.56498188090    
O         -1.034602771         1.507693323       -0.6750095422    
O          2.720759253        -1.417005509        0.1835661635    
O          1.732705165        0.9835942370       -0.9344476868    
O         -2.792225471       -0.4376449791        0.4055016023    
O          1.182514372        -2.786385516         2.117357512    
O         -1.633245734        -2.431707416         2.039760253    
H          1.720437058        -2.589623583         2.900130517    
H          3.105809992        -1.836563303       -0.6019075204    
H          2.357364816       -0.5139083997       -0.1972467055    
H         0.7037768806         1.149422732       -0.8865043646    
H         -1.670688582        0.7847539152       -0.2685044563    
H         -1.634915224         2.064973411        -1.196762106    
H         -2.369281640        -1.125846640         1.063987971    
H         -3.259699604        -1.031875607       -0.2020068798    
H          1.730522548        -2.315022358         1.364279939    
H        -0.5960082654        -2.554322466         2.064650599    
H         -1.925048611        -2.821795042         2.880245495    
H          2.080857801         1.833759757       -0.6257663925    
    18
Energy=    -6256.56496877052    
O         -1.034275768         1.507542835       -0.6735671500    
O          2.721041665        -1.417075872        0.1834380324    
O          1.732892183        0.9829347925       -0.9361583507    
O         -2.792602670       -0.4379122009        0.4055018099    
O          1.181697067        -2.785133082         2.117573664    
O         -1.634166359        -2.431902361         2.039816617    
H          1.720623353        -2.588064389         2.899687151    
H          3.107985574        -1.835825519       -0.6017704832    
H          2.357230820       -0.5140798091       -0.1980591277    
H         0.7038564884         1.148537023       -0.8877693493    
H         -1.670590928        0.7848924909       -0.2671345358    
H         -1.634348242         2.065216958        -1.195151727    
H         -2.369887125        -1.125856276         1.064236587    
H         -3.258383312        -1.032352395       -0.2026705988    
H          1.729919721        -2.314873278         1.363719535    
H        -0.5969918420        -2.553402834         2.064540774    
H         -1.925356588        -2.822657656         2.880090900    
H          2.080387946         1.832508131       -0.6249993495    
    18
Energy=    -6256.56476670163    
O         -1.034121999         1.507494928       -0.6729220094    
O          2.721178785        -1.417021725        0.1832542789    
O          1.733011032        0.9826617240       -0.9369656625    
O         -2.792747650       -0.4379956154        0.4055091634    
O          1.181294145        -2.784389778         2.117643378    
O         -1.634585334        -2.431957429         2.039760596    
H          1.720699868        -2.587356283         2.899444252    
H          3.108985067        -1.835419091       -0.6016157479    
H          2.357142255       -0.5142431575       -0.1984277324    
H         0.7039994981         1.147993561       -0.8884104952    
H         -1.670589188        0.7850374894       -0.2663714096    
H         -1.634105042         2.065312367        -1.194413751    
H         -2.370195565        -1.125930290         1.064417866    
H         -3.257773925        -1.032636112       -0.2030276835    
H          1.729578585        -2.314906702         1.363484141    
H        -0.5973888343        -2.552957751         2.064504822    
H         -1.925515564        -2.823081745         2.880051204    
H          2.080165852         1.831892167       -0.6245908115    
    18
Energy=    -6256.56461193377    
O         -1.034067880         1.507598350       -0.6725555866    
O          2.721257896        -1.416991550        0.1831613109    
O          1.733094069        0.9825574365       -0.9371981584    
O         -2.792701265       -0.4380802987        0.4054620556    
O          1.180956819        -2.783953519         2.117664259    
O         -1.634743246        -2.431963319         2.039758834    
H          1.720785380        -2.587035754         2.899272861    
H          3.109335442        -1.835153710       -0.6016822198    
H          2.356973742       -0.5143150736       -0.1985659657    
H         0.7040522907         1.147608885       -0.8885571050    
H         -1.670620190        0.7853079186       -0.2657691555    
H         -1.633905459         2.065093866        -1.194566061    
H         -2.370305915        -1.125977119         1.064592303    
H         -3.257483338        -1.032788714       -0.2031769642    
H          1.729413106        -2.315120712         1.363311599    
H        -0.5975010930        -2.552753350         2.064494947    
H         -1.925578544        -2.823251361         2.880010219    
H          2.080070168         1.831714582       -0.6243327742    
    18
Energy=    -6256.56451770543    
O         -1.034053202         1.507751101       -0.6724346844    
O          2.721261101        -1.416966069        0.1831278128    
O          1.733111786        0.9825451061       -0.9370560761    
O         -2.792585603       -0.4381099100        0.4053947355    
O          1.180854896        -2.783864320         2.117644957    
O         -1.634790297        -2.431952508         2.039785517    
H          1.720860404        -2.586961724         2.899195865    
H          3.109246297        -1.835022655       -0.6018275884    
H          2.356866369       -0.5143094849       -0.1985265933    
H         0.7040592834         1.147400215       -0.8883874683    
H         -1.670651813        0.7855205796       -0.2655000805    
H         -1.633804174         2.064829379        -1.195043755    
H         -2.370252531        -1.125983793         1.064668344    
H         -3.257459517        -1.032852832       -0.2031592451    
H          1.729418063        -2.315373800         1.363246877    
H        -0.5975257304        -2.552691546         2.064477607    
H         -1.925577936        -2.823267074         2.880010963    
H          2.080054587         1.831805892       -0.6242927889    
    18
Energy=    -6256.56434462359    
O         -1.033975476         1.507473766       -0.6727626722    
O          2.721271279        -1.416748330        0.1832226620    
O          1.733141993        0.9824069192       -0.9372792440    
O         -2.792561353       -0.4381480652        0.4052655343    
O          1.180748504        -2.783630952         2.117652795    
O         -1.634891483        -2.432002814         2.039796332    
H          1.720864093        -2.586874163         2.899264446    
H          3.109506921        -1.834982117       -0.6016235046    
H          2.356796428       -0.5143027454       -0.1987290161    
H         0.7041218869         1.147032085       -0.8885740024    
H         -1.670747472        0.7853056367       -0.2655716875    
H         -1.633825983         2.065461802        -1.194008230    
H         -2.370266670        -1.126032133         1.064721055    
H         -3.257528000        -1.032880836       -0.2032259724    
H          1.729500006        -2.315403516         1.363316899    
H        -0.5975940081        -2.552613719         2.064425806    
H         -1.925623473        -2.823297557         2.879897368    
H          2.080094790         1.831733294       -0.6244641683    
    18
Energy=    -6256.56413491058    
O         -1.033797366         1.507200844       -0.6720260998    
O          2.721106841        -1.416619172        0.1828642528    
O          1.732946998        0.9822028115       -0.9378975355    
O         -2.792441835       -0.4381429332        0.4055751604    
O          1.180368699        -2.782790279         2.117572679    
O         -1.635169575        -2.431984015         2.039867164    
H          1.720641313        -2.586563410         2.899067914    
H          3.110632650        -1.834903389       -0.6012481497    
H          2.356323041       -0.5143880553       -0.1998108053    
H         0.7037990005         1.146774952       -0.8886466694    
H         -1.670739632        0.7852637585       -0.2648732682    
H         -1.633202405         2.065156253        -1.193770912    
H         -2.370516543        -1.125980070         1.064933037    
H         -3.256794682        -1.032882612       -0.2038523851    
H          1.729321174        -2.314766361         1.363070969    
H        -0.5976469947        -2.552429995         2.064477551    
H         -1.925819566        -2.823612775         2.879774161    
H          2.080020864         1.830961003       -0.6237526649    
    18
Energy=    -6256.56379283747    
O         -1.033377894         1.507336880       -0.6702636301    
O          2.720622495        -1.416521822        0.1820938969    
O          1.732338666        0.9820285087       -0.9386870627    
O         -2.792643956       -0.4379782590        0.4059799978    
O          1.179845063        -2.781644596         2.117164315    
O         -1.635372194        -2.431973448         2.040080175    
H          1.720289180        -2.586117723         2.898762693    
H          3.112380878        -1.834934880       -0.6009523167    
H          2.355707502       -0.5147245170       -0.2014117205    
H         0.7032352784         1.146966782       -0.8886116814    
H         -1.670710372        0.7852851992       -0.2634491772    
H         -1.632060849         2.063614044        -1.194874664    
H         -2.370842435        -1.126020369         1.065443641    
H         -3.255203596        -1.032667521       -0.2047468579    
H          1.728775114        -2.313470431         1.362604662    
H        -0.5977267646        -2.552221612         2.064678384    
H         -1.926081590        -2.824105188         2.879654447    
H          2.079857461         1.829645510       -0.6221407029    
    18
Energy=    -6256.56350741869    
O         -1.033218022         1.506719898       -0.6700489117    
O          2.720572018        -1.416404888        0.1819449296    
O          1.732270404        0.9817988153       -0.9399431606    
O         -2.793058133       -0.4379613405        0.4062409786    
O          1.179554361        -2.780874227         2.117128393    
O         -1.635474361        -2.432027323         2.040035921    
H          1.719993031        -2.585846361         2.898803595    
H          3.113830446        -1.835067162       -0.6002376094    
H          2.355645252       -0.5149389082       -0.2023228732    
H         0.7032275471         1.147029619       -0.8895130261    
H         -1.670687732        0.7847226345       -0.2633483920    
H         -1.631908035         2.064368421        -1.192824014    
H         -2.371305865        -1.126137510         1.065550612    
H         -3.254537418        -1.032583682       -0.2053152060    
H          1.728419066        -2.312427651         1.362557073    
H        -0.5977640898        -2.552123500         2.064767423    
H         -1.926279007        -2.824403437         2.879472324    
H          2.079752522         1.828653158       -0.6216236567    
    18
Energy=    -6256.56322356806    
O         -1.033117464         1.506820093       -0.6692530576    
O          2.720459170        -1.416563184        0.1816487508    
O          1.732096880        0.9817557633       -0.9404944361    
O         -2.793369067       -0.4379089783        0.4065020479    
O          1.179317352        -2.780442423         2.116991616    
O         -1.635414343        -2.432014245         2.040049629    
H          1.719827937        -2.585654635         2.898675977    
H          3.114627672        -1.835102445       -0.6001398729    
H          2.355564264       -0.5151612798       -0.2027549402    
H         0.7031043585         1.147406304       -0.8898004311    
H         -1.670606000        0.7847505374       -0.2628362039    
H         -1.631541737         2.063732564        -1.193149921    
H         -2.371573654        -1.126220756         1.065701984    
H         -3.253783940        -1.032489647       -0.2056561129    
H          1.727956993        -2.311729432         1.362348427    
H        -0.5977317572        -2.552085617         2.064917674    
H         -1.926376202        -2.824618784         2.879450310    
H          2.079591520         1.828022721       -0.6208770429    
    18
Energy=    -6256.56310568625    
O         -1.033125238         1.506827172       -0.6691201978    
O          2.720485698        -1.416655067        0.1816174283    
O          1.732091371        0.9817395101       -0.9406810936    
O         -2.793492032       -0.4379123809        0.4065603001    
O          1.179238168        -2.780349579         2.116975063    
O         -1.635350604        -2.432007930         2.040014285    
H          1.719802400        -2.585606106         2.898659916    
H          3.114806582        -1.835095544       -0.6001294994    
H          2.355601530       -0.5152398507       -0.2027364951    
H         0.7031129761         1.147556674       -0.8899786296    
H         -1.670573123        0.7847518195       -0.2627721210    
H         -1.631490113         2.063672311        -1.193079046    
H         -2.371661695        -1.126264569         1.065719171    
H         -3.253628663        -1.032477119       -0.2057078475    
H          1.727777635        -2.311571273         1.362306224    
H        -0.5976962756        -2.552094356         2.064969546    
H         -1.926392481        -2.824665112         2.879451102    
H          2.079525847         1.827887957       -0.6207437079    
    18
Energy=    -6256.56288975493    
O         -1.033208799         1.506897617       -0.6689879961    
O          2.720498125        -1.416822250        0.1815960192    
O          1.732169683        0.9816769644       -0.9408120607    
O         -2.793634679       -0.4379600625        0.4066115948    
O          1.179147827        -2.780300270         2.116856301    
O         -1.635211603        -2.431970209         2.039917078    
H          1.719827067        -2.585560612         2.898676591    
H          3.114873660        -1.835037290       -0.6001806033    
H          2.355655819       -0.5152839668       -0.2026058661    
H         0.7031783436         1.147612977       -0.8901226840    
H         -1.670508483        0.7848759633       -0.2627148133    
H         -1.631500546         2.063576660        -1.193168829    
H         -2.371734295        -1.126348179         1.065737564    
H         -3.253508307        -1.032470111       -0.2057009774    
H          1.727560630        -2.311477275         1.362301881    
H        -0.5976400062        -2.552104343         2.065044736    
H         -1.926411953        -2.824701716         2.879497390    
H          2.079479501         1.827892659       -0.6206209263    
    18
Energy=    -6256.56275611349    
O         -1.033229715         1.506194754       -0.6696560466    
O          2.720153147        -1.416411602        0.1816246012    
O          1.732941448        0.9814348529       -0.9421321033    
O         -2.794296975       -0.4381376158        0.4069271476    
O          1.179207924        -2.779899463         2.116922642    
O         -1.635448347        -2.432103904         2.039876385    
H          1.719431657        -2.585442681         2.898818416    
H          3.116162364        -1.835259056       -0.5990456935    
H          2.355840671       -0.5150913846       -0.2036903542    
H         0.7039541021         1.146247862       -0.8913373930    
H         -1.670550028        0.7841545907       -0.2631802702    
H         -1.632597258         2.065820892        -1.189650839    
H         -2.372297311        -1.126711713         1.065755940    
H         -3.253419833        -1.032490722       -0.2061919238    
H          1.727774280        -2.310346393         1.362653720    
H        -0.5977248596        -2.551854254         2.065027961    
H         -1.926637117        -2.824806902         2.879134701    
H          2.079767834         1.827199296       -0.6205324910    
    18
Energy=    -6256.56254573939    
O         -1.033270889         1.505652184       -0.6701639342    
O          2.720052803        -1.416172357        0.1817076831    
O          1.733323131        0.9812291906       -0.9428491554    
O         -2.794584984       -0.4382214432        0.4069880146    
O          1.179261419        -2.779704080         2.116866006    
O         -1.635569846        -2.432149311         2.039764877    
H          1.719296728        -2.585383051         2.899015222    
H          3.116766908        -1.835396084       -0.5983788356    
H          2.355931078       -0.5149507268       -0.2042612670    
H         0.7042683958         1.145588529       -0.8919593690    
H         -1.670560971        0.7836938483       -0.2635754101    
H         -1.633177020         2.067207575        -1.187509658    
H         -2.372548469        -1.126847747         1.065738441    
H         -3.253485547        -1.032484115       -0.2063983019    
H          1.727958783        -2.309889794         1.362933049    
H        -0.5978265162        -2.551739929         2.064985114    
H         -1.926767113        -2.824884980         2.879030128    
H          2.079964092         1.826948849       -0.6206082051    
    18
Energy=    -6256.56207752328    
O         -1.033191875         1.504192717       -0.6713194508    
O          2.720050423        -1.415354711        0.1819402902    
O          1.733616764        0.9809430491       -0.9441144155    
O         -2.794786937       -0.4382115560        0.4068431172    
O          1.179502006        -2.779318322         2.116901861    
O         -1.636028730        -2.432288365         2.039652071    
H          1.719079498        -2.585312423         2.899505186    
H          3.117858056        -1.835865943       -0.5969091918    
H          2.355976319       -0.5146894006       -0.2056981227    
H         0.7044893259         1.144759521       -0.8929261955    
H         -1.670634741        0.7823775826       -0.2644510396    
H         -1.634047508         2.070043035        -1.183092741    
H         -2.372882610        -1.126762922         1.065677305    
H         -3.253799148        -1.032417168       -0.2068144318    
H          1.728717049        -2.309353942         1.363490441    
H        -0.5982926885        -2.551554395         2.064709747    
H         -1.926989799        -2.825066162         2.878883620    
H          2.080396578         1.826375960       -0.6209536509    
    18
Energy=    -6256.56195607822    
O         -1.033157997         1.503921575       -0.6715220409    
O          2.720064442        -1.415192000        0.1820017691    
O          1.733638239        0.9809149719       -0.9443299101    
O         -2.794796076       -0.4381903489        0.4068226398    
O          1.179519263        -2.779263478         2.116912407    
O         -1.636076961        -2.432308359         2.039614535    
H          1.719059611        -2.585295085         2.899613495    
H          3.118052901        -1.835967045       -0.5966686729    
H          2.355988816       -0.5146598705       -0.2059429800    
H         0.7045040318         1.144680297       -0.8931007549    
H         -1.670655400        0.7821265729       -0.2646129323    
H         -1.634177716         2.070528609        -1.182310224    
H         -2.372943728        -1.126726520         1.065656528    
H         -3.253865691        -1.032415262       -0.2068950630    
H          1.728858901        -2.309272722         1.363574024    
H        -0.5984070318        -2.551527091         2.064656148    
H         -1.927031192        -2.825109234         2.878882860    
H          2.080457572         1.826251544       -0.6210274283    
    18
Energy=    -6256.56145091758    
O         -1.033026798         1.502440267       -0.6726608521    
O          2.720359079        -1.414530139        0.1823036579    
O          1.733675725        0.9806864483       -0.9454691941    
O         -2.794929844       -0.4381349982        0.4064695330    
O          1.179778670        -2.778933788         2.117111186    
O         -1.636494717        -2.432441168         2.039495337    
H          1.718909135        -2.585264869         2.900066559    
H          3.118864018        -1.836403871       -0.5953872727    
H          2.356092238       -0.5145308009       -0.2069616554    
H         0.7044982442         1.144537273       -0.8940363365    
H         -1.670729409        0.7808346543       -0.2655500955    
H         -1.634785015         2.073076093        -1.178201495    
H         -2.373176242        -1.126535064         1.065553611    
H         -3.254228038        -1.032306699       -0.2071132913    
H          1.729468255        -2.309053383         1.364034978    
H        -0.5988192915        -2.551462033         2.064373510    
H         -1.927166584        -2.825265748         2.878805681    
H          2.080742557         1.825784382       -0.6215094625    
    18
Energy=    -6256.56101455872    
O         -1.032859738         1.501098783       -0.6737235147    
O          2.720800546        -1.413990227        0.1826797595    
O          1.733651014        0.9805698247       -0.9465095416    
O         -2.795049045       -0.4380711839        0.4060983549    
O          1.179941099        -2.778692238         2.117406421    
O         -1.636750500        -2.432543922         2.039333250    
H          1.718842572        -2.585243981         2.900519699    
H          3.119483263        -1.836804040       -0.5943525387    
H          2.356294194       -0.5145205616       -0.2075872944    
H         0.7045365092         1.144806948       -0.8950096768    
H         -1.670822377        0.7797295603       -0.2664634948    
H         -1.635327920         2.075288067        -1.174489921    
H         -2.373429652        -1.126335921         1.065399864    
H         -3.254609396        -1.032239990       -0.2072072948    
H          1.729917301        -2.309012410         1.364355461    
H        -0.5991887959        -2.551473171         2.064118693    
H         -1.927251492        -2.825403638         2.878793967    
H          2.080854401         1.825334657       -0.6220377948    
    18
Energy=    -6256.56080615357    
O         -1.032801334         1.500545910       -0.6742010840    
O          2.721041978        -1.413806355        0.1828623774    
O          1.733693559        0.9805478551       -0.9470279752    
O         -2.795165191       -0.4380537292        0.4059327885    
O          1.179994766        -2.778596664         2.117577375    
O         -1.636811643        -2.432582373         2.039246064    
H          1.718817470        -2.585236478         2.900697103    
H          3.119728599        -1.836971657       -0.5939286467    
H          2.356422779       -0.5145340455       -0.2077558686    
H         0.7046243648         1.144984633       -0.8954783327    
H         -1.670854871        0.7792898469       -0.2668628634    
H         -1.635626798         2.076250187        -1.172872683    
H         -2.373572931        -1.126279136         1.065308123    
H         -3.254766208        -1.032220160       -0.2072044872    
H          1.730066856        -2.309020007         1.364486053    
H        -0.5993335836        -2.551493407         2.064012242    
H         -1.927283931        -2.825461172         2.878802157    
H          2.080858102         1.825133308       -0.6222679446    
    18
Energy=    -6256.56061186287    
O         -1.032798219         1.500152458       -0.6746591582    
O          2.721248914        -1.413730576        0.1830256418    
O          1.733795539        0.9805727981       -0.9474382672    
O         -2.795326426       -0.4380750747        0.4057979851    
O          1.180008207        -2.778550045         2.117768549    
O         -1.636750810        -2.432606648         2.039135905    
H          1.718785228        -2.585240650         2.900792172    
H          3.119877615        -1.837052754       -0.5936255163    
H          2.356558778       -0.5145536180       -0.2077548255    
H         0.7047421292         1.145041035       -0.8958843844    
H         -1.670865601        0.7789629913       -0.2672196597    
H         -1.635898117         2.077090905        -1.171520566    
H         -2.373666515        -1.126292174         1.065234671    
H         -3.254916836        -1.032206643       -0.2071635457    
H          1.730142503        -2.309011180         1.364589171    
H        -0.5994453347        -2.551513419         2.063949788    
H         -1.927310568        -2.825493198         2.878815453    
H          2.080851496         1.825002349       -0.6225190139    
    18
Energy=    -6256.56027415804    
O         -1.032797049         1.499582188       -0.6755301551    
O          2.721210304        -1.413560027        0.1832755355    
O          1.733705017        0.9802588583       -0.9471781452    
O         -2.795103204       -0.4381956110        0.4056850503    
O          1.180010405        -2.778644057         2.117782200    
O         -1.636865896        -2.432704646         2.039000000    
H          1.718790602        -2.585265280         2.901040650    
H          3.119961586        -1.836953229       -0.5933607215    
H          2.356704092       -0.5144946600       -0.2076216307    
H         0.7045830635         1.144555723       -0.8965509987    
H         -1.671038861        0.7785321116       -0.2680972560    
H         -1.635807957         2.078397225        -1.169260709    
H         -2.373561102        -1.126331620         1.065251823    
H         -3.255446232        -1.032215435       -0.2071967820    
H          1.730185187        -2.308831418         1.364808905    
H        -0.5992929808        -2.551483851         2.063995340    
H         -1.927294274        -2.825374091         2.878605308    
H          2.081089282         1.825224376       -0.6233240162    
    18
Energy=    -6256.55987854096    
O         -1.032501279         1.501038177       -0.6729194713    
O          2.720796259        -1.413633083        0.1824385550    
O          1.733192430        0.9805968369       -0.9464517400    
O         -2.794769681       -0.4378429164        0.4060053000    
O          1.180035348        -2.778593745         2.117254795    
O         -1.637188733        -2.432542881         2.039484361    
H          1.718907029        -2.585172627         2.900658435    
H          3.119704528        -1.837150011       -0.5942276581    
H          2.356153531       -0.5145545402       -0.2083396556    
H         0.7042182687         1.145591267       -0.8948765522    
H         -1.670933080        0.7798496092       -0.2660197279    
H         -1.635138676         2.074233681        -1.175548041    
H         -2.373612623        -1.125995127         1.065518007    
H         -3.254256973        -1.032164398       -0.2073761784    
H          1.730159762        -2.309116879         1.364209687    
H        -0.5993393392        -2.551460395         2.063996244    
H         -1.927261521        -2.825567080         2.878928029    
H          2.080866732         1.824980668       -0.6214099898    
    18
Energy=    -6256.55934036546    
O         -1.032938016         1.497979935       -0.6776440654    
O          2.722141958        -1.413102043        0.1841940066    
O          1.735050425        0.9799870767       -0.9499935748    
O         -2.796057365       -0.4381367153        0.4054623557    
O          1.180138201        -2.778172752         2.118379145    
O         -1.636924200        -2.432773563         2.038757246    
H          1.718748040        -2.585250197         2.901732331    
H          3.120815660        -1.837546186       -0.5920372163    
H          2.357369415       -0.5144361218       -0.2075938440    
H         0.7064814905         1.145085032       -0.8982163825    
H         -1.671107689        0.7773709817       -0.2693342118    
H         -1.638000095         2.082352992        -1.163265963    
H         -2.374654380        -1.126645603         1.064384224    
H         -3.255967264        -1.032506144       -0.2068524598    
H          1.730394703        -2.309072646         1.365309038    
H        -0.5994144495        -2.551608510         2.063579686    
H         -1.927457463        -2.825477719         2.878551970    
H          2.080413010         1.824448740       -0.6240878852    
    18
Energy=    -6256.55792567157    
O         -1.033188764         1.496718369       -0.6796304621    
O          2.722914611        -1.412909487        0.1851366615    
O          1.735917523        0.9799638347       -0.9521138125    
O         -2.796857757       -0.4381552750        0.4054624359    
O          1.180153614        -2.777951669         2.118789245    
O         -1.636973554        -2.432910277         2.038528913    
H          1.718778568        -2.585209873         2.902236639    
H          3.121410896        -1.837881806       -0.5911340367    
H          2.358142897       -0.5145927859       -0.2071089837    
H         0.7075604075         1.145131390       -0.9000260984    
H         -1.671016853        0.7761415766       -0.2706262517    
H         -1.639615137         2.086040900        -1.157902203    
H         -2.375249970        -1.126872755         1.063871862    
H         -3.256766851        -1.032835863       -0.2068329429    
H          1.730360208        -2.309194413         1.365937738    
H        -0.5993964612        -2.551741408         2.063390338    
H         -1.927450251        -2.825423419         2.878303829    
H          2.080308858         1.824179518       -0.6249584727    
    18
Energy=    -6256.55639952808    
O         -1.033535229         1.495099611       -0.6821796156    
O          2.724203324        -1.412871201        0.1861015861    
O          1.736683007        0.9800611960       -0.9547662130    
O         -2.798004908       -0.4383502666        0.4053959465    
O          1.179861358        -2.778022698         2.119581107    
O         -1.636857114        -2.433215068         2.038169232    
H          1.718909990        -2.585084546         2.902867486    
H          3.122053097        -1.838182843       -0.5897017301    
H          2.359467702       -0.5150168202       -0.2062346553    
H         0.7084413804         1.145173994       -0.9031970594    
H         -1.670835600        0.7743909591       -0.2724788520    
H         -1.641649916         2.090923000        -1.150567588    
H         -2.375940107        -1.127018074         1.063552339    
H         -3.257963863        -1.033186715       -0.2070010518    
H          1.730347196        -2.309148145         1.366694771    
H        -0.5995585247        -2.551898196         2.063232752    
H         -1.927325603        -2.825297699         2.877872010    
H          2.080735792         1.824140067       -0.6260160650    
    18
Energy=    -6256.55476175002    
O         -1.033831315         1.493318316       -0.6848162394    
O          2.725307841        -1.412821087        0.1876170749    
O          1.737220402        0.9806100535       -0.9569901740    
O         -2.799152309       -0.4388811963        0.4052187838    
O          1.179878575        -2.777992452         2.120341053    
O         -1.636814792        -2.433443883         2.037487758    
H          1.718901083        -2.585010853         2.903290400    
H          3.122800675        -1.838519368       -0.5886006137    
H          2.360957561       -0.5155087443       -0.2053091001    
H         0.7087327578         1.144760953       -0.9069012802    
H         -1.670633735        0.7728013369       -0.2747912574    
H         -1.643521221         2.095902191        -1.142608946    
H         -2.376409717        -1.127063799         1.063531372    
H         -3.259361822        -1.033370257       -0.2072644221    
H          1.730127255        -2.309136898         1.367755579    
H        -0.5996241968        -2.552088129         2.063222001    
H         -1.927154355        -2.825191303         2.877501734    
H          2.081609298         1.824131676       -0.6273593240    
    18
Energy=    -6256.55385230481    
O         -1.033831009         1.493112714       -0.6850293151    
O          2.725646513        -1.412870576        0.1878282783    
O          1.737207109        0.9809522003       -0.9575352966    
O         -2.799517901       -0.4390528866        0.4052452602    
O          1.179741765        -2.778114151         2.120507984    
O         -1.636882434        -2.433515103         2.037356897    
H          1.718993905        -2.584922123         2.903377447    
H          3.122950249        -1.838632809       -0.5883589120    
H          2.361473149       -0.5157770085       -0.2050673030    
H         0.7086723634         1.144800557       -0.9080872058    
H         -1.670540361        0.7726409795       -0.2751178960    
H         -1.644076625         2.096566472        -1.141351563    
H         -2.376602231        -1.126981552         1.063709026    
H         -3.259601753        -1.033420545       -0.2074641202    
H          1.730053758        -2.309124702         1.367944615    
H        -0.5996445118        -2.552141403         2.063261677    
H         -1.927044013        -2.825174381         2.877398471    
H          2.082034009         1.824150874       -0.6272936461    
    18
Energy=    -6256.55243221446    
O         -1.034002287         1.491001656       -0.6884422677    
O          2.726162751        -1.412536525        0.1890124301    
O          1.737809508        0.9804652093       -0.9583809778    
O         -2.799842215       -0.4397216943        0.4047656172    
O          1.179689326        -2.778244135         2.121081342    
O         -1.636886836        -2.433737368         2.036630649    
H          1.718951477        -2.584978418         2.904156440    
H          3.123472422        -1.838526299       -0.5870578230    
H          2.362429018       -0.5156947100       -0.2043125419    
H         0.7092175889         1.143475226       -0.9110720735    
H         -1.670929067        0.7712946048       -0.2781838571    
H         -1.645202152         2.101920288        -1.132258350    
H         -2.376869670        -1.127335307         1.063452884    
H         -3.261212976        -1.033446817       -0.2072513249    
H          1.730135373        -2.308724437         1.368794673    
H        -0.5993395609        -2.552163200         2.063276603    
H         -1.927060998        -2.824924059         2.876912597    
H          2.082510281         1.824372542       -0.6297996205    
    18
Energy=    -6256.55144967300    
O         -1.034025495         1.490198960       -0.6897811829    
O          2.726319263        -1.412388080        0.1893986732    
O          1.737989901        0.9802734317       -0.9586588807    
O         -2.799914102       -0.4399813967        0.4045797143    
O          1.179624044        -2.778296643         2.121253170    
O         -1.636930588        -2.433796310         2.036384278    
H          1.718959382        -2.585001523         2.904489772    
H          3.123629610        -1.838443135       -0.5865598904    
H          2.362701154       -0.5156582480       -0.2040360606    
H         0.7094253763         1.142944336       -0.9119325330    
H         -1.671109111        0.7708590559       -0.2793780600    
H         -1.645507112         2.103831722        -1.128874162    
H         -2.376910261        -1.127479889         1.063282697    
H         -3.261783431        -1.033425624       -0.2071092850    
H          1.730225986        -2.308561175         1.369077085    
H        -0.5991920412        -2.552182541         2.063270959    
H         -1.927079522        -2.824828059         2.876735181    
H          2.082608929         1.824431675       -0.6308170760    
    18
Energy=    -6256.55004872670    
O         -1.033982908         1.491802915       -0.6868834032    
O          2.726230303        -1.412751726        0.1888098886    
O          1.738107074        0.9804800050       -0.9576329599    
O         -2.799930514       -0.4397993153        0.4047242416    
O          1.179821329        -2.778528092         2.121138736    
O         -1.636794630        -2.433934287         2.036500775    
H          1.718960420        -2.584865795         2.903972722    
H          3.123620210        -1.838856711       -0.5872656251    
H          2.363056246       -0.5154969103       -0.2045354335    
H         0.7095192492         1.144028312       -0.9133307263    
H         -1.671088774        0.7717985962       -0.2771849180    
H         -1.646067713         2.100731470        -1.134150651    
H         -2.377821953        -1.127226265         1.064254772    
H         -3.260952784        -1.033579890       -0.2075562062    
H          1.729643408        -2.308711267         1.368706993    
H        -0.5992762291        -2.551946787         2.063444479    
H         -1.926990166        -2.824954340         2.876940214    
H          2.082979417         1.824306643       -0.6286285007    
    18
Energy=    -6256.54744147699    
O         -1.034888101         1.487584258       -0.6942252449    
O          2.726762415        -1.411980617        0.1908490909    
O          1.739974149        0.9777846916       -0.9583318785    
O         -2.799691357       -0.4402611650        0.4036500612    
O          1.180145152        -2.778534217         2.122158847    
O         -1.636269538        -2.434543424         2.035421757    
H          1.718566291        -2.585238094         2.905557240    
H          3.124478901        -1.838397647       -0.5846996890    
H          2.363948266       -0.5143628067       -0.2034517897    
H         0.7113983878         1.141288798       -0.9175632404    
H         -1.672048984        0.7679443785       -0.2827988749    
H         -1.647497174         2.112398287        -1.116616974    
H         -2.378168367        -1.128365074         1.063242926    
H         -3.264251731        -1.033905070       -0.2067971757    
H          1.729875577        -2.307816456         1.370153230    
H        -0.5987679242        -2.551716840         2.063287405    
H         -1.927329682        -2.824330383         2.875909375    
H          2.082795702         1.824947935       -0.6344206660    
    18
Energy=    -6256.54517923763    
O         -1.035506025         1.484463407       -0.6997457651    
O          2.727086432        -1.411350379        0.1923580230    
O          1.740998232        0.9762366822       -0.9591946958    
O         -2.799592212       -0.4406993392        0.4029411280    
O          1.180344395        -2.778365435         2.122853779    
O         -1.635954057        -2.434807481         2.034692628    
H          1.718271098        -2.585538680         2.906598451    
H          3.125000815        -1.837984164       -0.5829744768    
H          2.364316786       -0.5138102312       -0.2025983043    
H         0.7124333314         1.139236059       -0.9193639122    
H         -1.672570427        0.7653316428       -0.2870069548    
H         -1.648040196         2.120435391        -1.104184757    
H         -2.377969041        -1.129095001         1.062219383    
H         -3.266466983        -1.033957368       -0.2061170039    
H          1.730227275        -2.307281573         1.371184776    
H        -0.5984916889        -2.551697082         2.063116786    
H         -1.927577399        -2.823939963         2.875280369    
H          2.082521646         1.825320072       -0.6387350557    
    18
Energy=    -6256.54328858028    
O         -1.035842493         1.483393542       -0.7014603989    
O          2.726917381        -1.411000655        0.1927882063    
O          1.742282355        0.9755176020       -0.9595749678    
O         -2.799810057       -0.4411961759        0.4027500638    
O          1.180370732        -2.778297180         2.122984930    
O         -1.635847832        -2.434841448         2.034397019    
H          1.718150369        -2.585645411         2.907093535    
H          3.125240738        -1.837752965       -0.5822350919    
H          2.364539612       -0.5133826300       -0.2024116186    
H         0.7139770160         1.137671501       -0.9203553874    
H         -1.672683948        0.7646919134       -0.2881489487    
H         -1.649339534         2.123981765        -1.100065893    
H         -2.378326490        -1.129625117         1.061804172    
H         -3.267244554        -1.034062731       -0.2057184039    
H          1.730354663        -2.306965750         1.371486854    
H        -0.5981556143        -2.551554413         2.063093777    
H         -1.927765679        -2.823767386         2.874976177    
H          2.082215320         1.825332096       -0.6400796255    
    18
Energy=    -6256.54159181293    
O         -1.036359630         1.479714313       -0.7080353351    
O          2.727275762        -1.410252152        0.1945211419    
O          1.743037419        0.9743202778       -0.9610149113    
O         -2.799833114       -0.4418527304        0.4020270545    
O          1.180355648        -2.778038340         2.123635690    
O         -1.635757412        -2.434943923         2.033624064    
H          1.717943522        -2.585958798         2.908349825    
H          3.125716336        -1.837148091       -0.5802974946    
H          2.364748471       -0.5130695947       -0.2013293597    
H         0.7148303633         1.135116701       -0.9212398295    
H         -1.673171823        0.7622119915       -0.2933214487    
H         -1.649556546         2.132608599        -1.085806183    
H         -2.377640701        -1.130419044         1.060367560    
H         -3.269635944        -1.033944881       -0.2048258645    
H          1.731029990        -2.306412903         1.372639609    
H        -0.5977917412        -2.551716647         2.062866499    
H         -1.928010996        -2.823360848         2.874313209    
H          2.081852378         1.825642627       -0.6451498284    
    18
Energy=    -6256.53896150069    
O         -1.036248660         1.478013743       -0.7112078286    
O          2.727351209        -1.409929674        0.1953869708    
O          1.743617602        0.9738630019       -0.9619898241    
O         -2.800005996       -0.4424441466        0.4017875936    
O          1.180294025        -2.777848415         2.123905078    
O         -1.635791407        -2.434833612         2.033169285    
H          1.717833588        -2.586115997         2.908949914    
H          3.125930273        -1.836767625       -0.5793485269    
H          2.364791160       -0.5128840038       -0.2008659413    
H         0.7155003000         1.133438837       -0.9213798865    
H         -1.673509840        0.7613831557       -0.2957637029    
H         -1.650069899         2.136737680        -1.079095226    
H         -2.377331382        -1.130883306         1.059551616    
H         -3.270731604        -1.033864712       -0.2043035271    
H          1.731447051        -2.306120900         1.373164044    
H        -0.5975103046        -2.551819311         2.062776971    
H         -1.928173649        -2.823209157         2.874060671    
H          2.081639514         1.825780998       -0.6474732795    
    18
Energy=    -6256.53631733091    
O         -1.036170556         1.476098098       -0.7144191839    
O          2.727297950        -1.409437483        0.1963527530    
O          1.744366875        0.9730177428       -0.9632896242    
O         -2.800171958       -0.4423962477        0.4015945450    
O          1.180347671        -2.777520666         2.124405672    
O         -1.635444706        -2.434841528         2.032949934    
H          1.717545303        -2.586351430         2.909337323    
H          3.126191011        -1.836389648       -0.5784518268    
H          2.364857160       -0.5127932615       -0.2003507489    
H         0.7160385891         1.131607521       -0.9213511087    
H         -1.673770454        0.7609241690       -0.2984466639    
H         -1.650687326         2.140887355        -1.072124201    
H         -2.376853041        -1.131750385         1.058888546    
H         -3.272072786        -1.034124399       -0.2040199864    
H          1.731893435        -2.305840772         1.373697432    
H        -0.5975416568        -2.551894769         2.062637920    
H         -1.928320805        -2.822975738         2.873627933    
H          2.081527276         1.826277998       -0.6497143158    
    18
Energy=    -6256.53354150405    
O         -1.036614470         1.471383751       -0.7234250261    
O          2.728178881        -1.408734303        0.1987968932    
O          1.744071697        0.9716621056       -0.9650417698    
O         -2.799852563       -0.4428721154        0.4006134260    
O          1.180458646        -2.777169202         2.125428988    
O         -1.635268914        -2.435042675         2.031915106    
H          1.717258141        -2.586773491         2.910774623    
H          3.126740084        -1.835706491       -0.5760682737    
H          2.365027530       -0.5125993322       -0.1988165935    
H         0.7156791140         1.129339789       -0.9221896704    
H         -1.674618211        0.7572873444       -0.3056306750    
H         -1.649533758         2.151184827        -1.053006580    
H         -2.375466414        -1.132408581         1.057094341    
H         -3.275220603        -1.033863266       -0.2030793918    
H          1.732722378        -2.305298390         1.375320516    
H        -0.5973932555        -2.552274514         2.062302711    
H         -1.928521809        -2.822502466         2.872904590    
H          2.081385507         1.826883565       -0.6565688173    
    18
Energy=    -6256.53267649198    
O         -1.036821367         1.470046077       -0.7259662398    
O          2.728483080        -1.408543804        0.1994913639    
O          1.743915690        0.9712481959       -0.9654557405    
O         -2.799707659       -0.4429198202        0.4003020554    
O          1.180518349        -2.777089239         2.125743732    
O         -1.635198691        -2.435145321         2.031638565    
H          1.717175238        -2.586891914         2.911161695    
H          3.126897653        -1.835547760       -0.5754177310    
H          2.365076240       -0.5125681548       -0.1983684722    
H         0.7153655026         1.128900345       -0.9224811549    
H         -1.674821604        0.7560134349       -0.3076252234    
H         -1.649028986         2.154138090        -1.047627719    
H         -2.375024390        -1.132523382         1.056629351    
H         -3.276130236        -1.033784409       -0.2028605599    
H          1.732923152        -2.305159231         1.375790505    
H        -0.5974026881        -2.552382097         2.062203046    
H         -1.928560041        -2.822366923         2.872700300    
H          2.081372741         1.827072469       -0.6585333754    
    18
Energy=    -6256.52953698467    
O         -1.037357144         1.467636663       -0.7311513523    
O          2.729376506        -1.408611043        0.2009018270    
O          1.743153513        0.9705096794       -0.9660222385    
O         -2.799243126       -0.4428434531        0.3997241212    
O          1.180763936        -2.776913965         2.126247205    
O         -1.634949012        -2.435472431         2.031138327    
H          1.717033053        -2.587116635         2.911960627    
H          3.127149893        -1.835225888       -0.5740316166    
H          2.365096391       -0.5122281491       -0.1975719804    
H         0.7147511966         1.128358362       -0.9232936693    
H         -1.675304138        0.7529774846       -0.3114787108    
H         -1.647642759         2.159937511        -1.036865401    
H         -2.374171063        -1.132619277         1.055760307    
H         -3.277997534        -1.033681337       -0.2025487592    
H          1.733152954        -2.304964399         1.376847232    
H        -0.5975505792        -2.552572100         2.061991192    
H         -1.928603301        -2.822067090         2.872257456    
H          2.081373195         1.827392623       -0.6625401690    
    18
Energy=    -6256.52885221214    
O         -1.036444182         1.471243196       -0.7236306754    
O          2.727847731        -1.408407964        0.1987855338    
O          1.744144943        0.9717500730       -0.9652181330    
O         -2.799981835       -0.4431755112        0.4006155037    
O          1.180328746        -2.777128779         2.125464736    
O         -1.635320066        -2.434899721         2.031837321    
H          1.717250555        -2.586788868         2.910841929    
H          3.126775205        -1.835644190       -0.5760155397    
H          2.365191509       -0.5126828588       -0.1987229432    
H         0.7164529240         1.128651868       -0.9221497662    
H         -1.674886709        0.7591493583       -0.3063702885    
H         -1.649954641         2.150276674        -1.052095887    
H         -2.375768685        -1.132817330         1.056972178    
H         -3.275077927        -1.033818743       -0.2027805605    
H          1.732895239        -2.305251880         1.375265563    
H        -0.5971752827        -2.552296618         2.062306235    
H         -1.928582842        -2.822472551         2.872867545    
H          2.081337299         1.826810401       -0.6566483525    
    18
Energy=    -6256.52814964437    
O         -1.036601847         1.470909647       -0.7243235068    
O          2.727899586        -1.408281491        0.1989466747    
O          1.744107885        0.9716366038       -0.9652549229    
O         -2.799933078       -0.4432245363        0.4004960768    
O          1.180326710        -2.777137579         2.125562578    
O         -1.635329059        -2.434932262         2.031745557    
H          1.717242287        -2.586814801         2.910963215    
H          3.126827045        -1.835627113       -0.5758562823    
H          2.365246966       -0.5127093667       -0.1985725074    
H         0.7163865683         1.128580134       -0.9222967399    
H         -1.674953082        0.7589456145       -0.3069716652    
H         -1.649750915         2.150899096        -1.050562076    
H         -2.375707292        -1.132847171         1.056853670    
H         -3.275275024        -1.033758784       -0.2026760903    
H          1.732952647        -2.305211841         1.375374713    
H        -0.5971382714        -2.552324840         2.062279817    
H         -1.928593919        -2.822432971         2.872818395    
H          2.081324775         1.826828217       -0.6572025072    
    18
Energy=    -6256.52448339508    
O         -1.038965413         1.461752251       -0.7413572052    
O          2.730542626        -1.407262548        0.2035864672    
O          1.742528139        0.9690312566       -0.9674260585    
O         -2.798672118       -0.4433889325        0.3981487326    
O          1.180833462        -2.776768694         2.127506878    
O         -1.634989003        -2.435910166         2.029969838    
H          1.716842362        -2.587543351         2.913719811    
H          3.127845205        -1.834685969       -0.5714230692    
H          2.365399993       -0.5125837824       -0.1955028561    
H         0.7130057713         1.126931066       -0.9245277239    
H         -1.675569865        0.7469666612       -0.3197241410    
H         -1.645077844         2.172659291        -1.014837658    
H         -2.372182003        -1.132659029         1.053759213    
H         -3.281614754        -1.032968500       -0.2014432419    
H          1.734045397        -2.304338548         1.378729221    
H        -0.5974397447        -2.553053596         2.061587462    
H         -1.928714826        -2.821530884         2.871445997    
H          2.081214598         1.827850032       -0.6708872671    
    18
Energy=    -6256.52366836035    
O         -1.039271421         1.460935933       -0.7431262406    
O          2.730788302        -1.407143103        0.2040361574    
O          1.742343620        0.9687494291       -0.9675521131    
O         -2.798517191       -0.4434134268        0.3978997683    
O          1.180884634        -2.776753238         2.127716536    
O         -1.634951502        -2.436019390         2.029770390    
H          1.716807396        -2.587614130         2.914006884    
H          3.127951683        -1.834613982       -0.5709846132    
H          2.365464171       -0.5125453440       -0.1951823354    
H         0.7127679326         1.126797987       -0.9248673674    
H         -1.675729680        0.7460674854       -0.3211042747    
H         -1.644546894         2.174491794        -1.011083461    
H         -2.371944562        -1.132688813         1.053469699    
H         -3.282196186        -1.032880715       -0.2012784628    
H          1.734143188        -2.304258554         1.379054337    
H        -0.5974321201        -2.553119741         2.061516992    
H         -1.928732629        -2.821430217         2.871310206    
H          2.081203239         1.827934581       -0.6722777040    
    18
Energy=    -6256.51598551747    
O         -1.040818641         1.456583321       -0.7509944824    
O          2.731973123        -1.406378623        0.2060238749    
O          1.741333491        0.9673966470       -0.9678856306    
O         -2.797668629       -0.4435332022        0.3965362184    
O          1.181126174        -2.776737695         2.128653974    
O         -1.634841663        -2.436604344         2.028900818    
H          1.716685559        -2.587929161         2.915411845    
H          3.128484391        -1.834354051       -0.5689462521    
H          2.365723623       -0.5124948488       -0.1936393559    
H         0.7114340349         1.126630733       -0.9265233380    
H         -1.676154099        0.7409616250       -0.3274252434    
H         -1.641935983         2.183929953       -0.9939286339    
H         -2.370714070        -1.132534519         1.052046525    
H         -3.284919179        -1.032331865       -0.2004378492    
H          1.734551891        -2.303864102         1.380580151    
H        -0.5974199808        -2.553411681         2.061173736    
H         -1.928800100        -2.820974981         2.870676364    
H          2.080992044         1.828143351       -0.6788983235    
    18
Energy=    -6256.51344420268    
O         -1.043976034         1.450280184       -0.7668341839    
O          2.733860721        -1.405083437        0.2098408432    
O          1.739728251        0.9648239775       -0.9684709927    
O         -2.796226776       -0.4438667142        0.3942733866    
O          1.181514393        -2.776759545         2.130634979    
O         -1.634530724        -2.437576162         2.026990869    
H          1.716409357        -2.588531682         2.917961257    
H          3.129457232        -1.833878618       -0.5652221696    
H          2.366665638       -0.5120809586       -0.1907302102    
H         0.7100557127         1.125505611       -0.9301853004    
H         -1.678239160        0.7356255761       -0.3402158470    
H         -1.636952342         2.197164557       -0.9600240196    
H         -2.369453626        -1.133232074         1.049685609    
H         -3.289558058        -1.031494691       -0.1986809185    
H          1.735397168        -2.303195415         1.383277982    
H        -0.5970392951        -2.553955737         2.060562753    
H         -1.929002263        -2.820036243         2.869520040    
H          2.080921788         1.828787927       -0.6910596788    
    18
Energy=    -6256.51207816337    
O         -1.044654140         1.448298759       -0.7713765870    
O          2.734431098        -1.404699091        0.2109582136    
O          1.739122275        0.9640244795       -0.9685553162    
O         -2.795719240       -0.4439132769        0.3935438617    
O          1.181630120        -2.776783427         2.131234910    
O         -1.634454072        -2.437864043         2.026421846    
H          1.716328297        -2.588708556         2.918708662    
H          3.129757845        -1.833764939       -0.5641443044    
H          2.366927649       -0.5119338238       -0.1898980146    
H         0.7095527699         1.125337440       -0.9313130275    
H         -1.678959725        0.7341603820       -0.3440359934    
H         -1.635468314         2.200946217       -0.9500986760    
H         -2.369096663        -1.133431964         1.048997034    
H         -3.290908027        -1.031243531       -0.1981347543    
H          1.735640774        -2.302988219         1.384055835    
H        -0.5969129110        -2.554118361         2.060385584    
H         -1.929065391        -2.819777498         2.869208298    
H          2.080879638         1.828956009       -0.6946331728    
    18
Energy=    -6256.51186335272    
O         -1.044523165         1.448239497       -0.7712619147    
O          2.734434528        -1.404696567        0.2109415527    
O          1.739067300        0.9640095697       -0.9685184354    
O         -2.795684920       -0.4438913414        0.3935221704    
O          1.181631187        -2.776789830         2.131235576    
O         -1.634462980        -2.437861659         2.026426053    
H          1.716328496        -2.588706807         2.918698212    
H          3.129761600        -1.833777878       -0.5641633782    
H          2.366912730       -0.5119316032       -0.1899167708    
H         0.7094945962         1.125422886       -0.9313140203    
H         -1.678985742        0.7341636598       -0.3440038433    
H         -1.635480728         2.200917213       -0.9502547454    
H         -2.369092537        -1.133411999         1.049001670    
H         -3.290893606        -1.031241682       -0.1981309016    
H          1.735635416        -2.302984579         1.384041832    
H        -0.5969126821        -2.554118169         2.060388568    
H         -1.929065815        -2.819790401         2.869226241    
H          2.080868308         1.828946249       -0.6945934667    
    18
Energy=    -6256.51118462815    
O         -1.046089698         1.445616594       -0.7792619197    
O          2.735276918        -1.404078090        0.2128294291    
O          1.738402613        0.9627110767       -0.9688337474    
O         -2.795018407       -0.4440907549        0.3924963950    
O          1.181799924        -2.776813651         2.132266988    
O         -1.634302968        -2.438293954         2.025416544    
H          1.716179532        -2.589005026         2.919917073    
H          3.130233120        -1.833545762       -0.5623708633    
H          2.367470225       -0.5116796052       -0.1884878140    
H         0.7089857646         1.124688451       -0.9331941661    
H         -1.680304961        0.7324564472       -0.3504337562    
H         -1.633017963         2.206394771       -0.9333201687    
H         -2.368688410        -1.133961476         1.047908522    
H         -3.293069109        -1.030879515       -0.1972425600    
H          1.736078913        -2.302665931         1.385316373    
H        -0.5966404086        -2.554388808         2.060100777    
H         -1.929182945        -2.819321554         2.868682386    
H          2.080919845         1.829353344       -0.7004650926    
    18
Energy=    -6256.51084171154    
O         -1.048064543         1.443671378       -0.7865385230    
O          2.735981596        -1.403571541        0.2145019035    
O          1.738070733        0.9617030066       -0.9692643178    
O         -2.794611014       -0.4443577664        0.3917201883    
O          1.181939527        -2.776800931         2.133124581    
O         -1.634123911        -2.438676920         2.024555017    
H          1.716055358        -2.589264468         2.921000991    
H          3.130613167        -1.833287231       -0.5607614072    
H          2.368002449       -0.5114778836       -0.1871946159    
H         0.7088222379         1.123678810       -0.9347727075    
H         -1.681264083        0.7309440071       -0.3560140295    
H         -1.630842781         2.211188176       -0.9182957865    
H         -2.368347860        -1.134503943         1.046958962    
H         -3.294982785        -1.030577206       -0.1965106017    
H          1.736474824        -2.302414413         1.386466078    
H        -0.5964220696        -2.554617793         2.059842386    
H         -1.929277027        -2.818863294         2.868131931    
H          2.081008164         1.829724567       -0.7056256514    
    18
Energy=    -6256.51068869411    
O         -1.048788564         1.442980817       -0.7891643510    
O          2.736232944        -1.403390285        0.2151046412    
O          1.737953807        0.9613468304       -0.9694211399    
O         -2.794468786       -0.4444562425        0.3914425349    
O          1.181988592        -2.776795916         2.133432068    
O         -1.634058659        -2.438814622         2.024245298    
H          1.716011220        -2.589357615         2.921391851    
H          3.130749160        -1.833192975       -0.5601817473    
H          2.368196621       -0.5114047168       -0.1867284741    
H         0.7087753425         1.123303906       -0.9353413481    
H         -1.681608476        0.7304220623       -0.3580269390    
H         -1.630059400         2.212893777       -0.9128783532    
H         -2.368229000        -1.134704828         1.046618938    
H         -3.295669182        -1.030468598       -0.1962464192    
H          1.736618082        -2.302324685         1.386880043    
H        -0.5963425389        -2.554700143         2.059749443    
H         -1.929310713        -2.818696735         2.867931622    
H          2.081041533         1.829856525       -0.7074832691    
    18
Energy=    -6256.51055631566    
O         -1.048968057         1.442692569       -0.7900379445    
O          2.736321069        -1.403324527        0.2153104855    
O          1.737879090        0.9612188367       -0.9694553692    
O         -2.794402155       -0.4444803738        0.3913310213    
O          1.182004835        -2.776798083         2.133541376    
O         -1.634040286        -2.438862021         2.024137352    
H          1.715996395        -2.589389450         2.921526031    
H          3.130799346        -1.833166358       -0.5599866573    
H          2.368260932       -0.5113761733       -0.1865726540    
H         0.7087417503         1.123208799       -0.9355475533    
H         -1.681750339        0.7302743524       -0.3587339664    
H         -1.629799979         2.213469711       -0.9110271948    
H         -2.368190620        -1.134773227         1.046503332    
H         -3.295900834        -1.030428622       -0.1961475550    
H          1.736667150        -2.302291298         1.387018749    
H        -0.5963115564        -2.554729367         2.059718203    
H         -1.929322954        -2.818643189         2.867868668    
H          2.081048196         1.829894978       -0.7081219261    
    18
Energy=    -6256.51055171505    
O         -1.050634403         1.441609229       -0.7950834365    
O          2.736783059        -1.403010100        0.2164521809    
O          1.737794814        0.9606023361       -0.9698272695    
O         -2.794218909       -0.4446967115        0.3908693771    
O          1.182095914        -2.776771960         2.134097913    
O         -1.633898014        -2.439123414         2.023570072    
H          1.715914667        -2.589563835         2.922262633    
H          3.131038616        -1.832963501       -0.5588830428    
H          2.368638262       -0.5112435525       -0.1856840173    
H         0.7087585759         1.122343362       -0.9365739365    
H         -1.682296021        0.7292426400       -0.3624653926    
H         -1.628292663         2.216654154       -0.9008046260    
H         -2.367963735        -1.135175218         1.045872054    
H         -3.297198345        -1.030237501       -0.1956820496    
H          1.736937547        -2.302135516         1.387810235    
H        -0.5961766856        -2.554879532         2.059540858    
H         -1.929381686        -2.818310179         2.867459650    
H          2.081130991         1.830155856       -0.7116068045    
    18
Energy=    -6256.51053741473    
O         -1.051764770         1.440958751       -0.7983638428    
O          2.737073660        -1.402799921        0.2171799252    
O          1.737777862        0.9602069477       -0.9700872888    
O         -2.794115448       -0.4448627974        0.3905966587    
O          1.182155741        -2.776749788         2.134450122    
O         -1.633802663        -2.439289437         2.023203973    
H          1.715861921        -2.589676221         2.922737604    
H          3.131188146        -1.832826335       -0.5581653822    
H          2.368888545       -0.5111716614       -0.1851016349    
H         0.7087879507         1.121750140       -0.9372242106    
H         -1.682629798        0.7285501248       -0.3648514805    
H         -1.627321718         2.218719179       -0.8942109951    
H         -2.367821786        -1.135426098         1.045456495    
H         -3.298035298        -1.030113371       -0.1953879047    
H          1.737111303        -2.302039114         1.388324924    
H        -0.5960931539        -2.554975442         2.059426159    
H         -1.929419120        -2.818091994         2.867190692    
H          2.081190609         1.830333595       -0.7138494159    
    18
Energy=    -6256.51053173683    
O         -1.052104185         1.440780602       -0.7992913928    
O          2.737157345        -1.402748349        0.2173901194    
O          1.737784434        0.9601038683       -0.9701660481    
O         -2.794096077       -0.4449042514        0.3905192754    
O          1.182169777        -2.776744595         2.134547569    
O         -1.633776913        -2.439337136         2.023103005    
H          1.715848778        -2.589707134         2.922873315    
H          3.131229606        -1.832786177       -0.5579641617    
H          2.368957176       -0.5111468896       -0.1849397912    
H         0.7088045051         1.121571353       -0.9374034265    
H         -1.682711930        0.7283463831       -0.3655181553    
H         -1.627051963         2.219313115       -0.8923565884    
H         -2.367777312        -1.135502502         1.045344271    
H         -3.298272212        -1.030080231       -0.1953082343    
H          1.737161585        -2.302011523         1.388469279    
H        -0.5960689576        -2.555002210         2.059393795    
H         -1.929429025        -2.818029199         2.867112473    
H          2.081207352         1.830381433       -0.7144809053    
    18
Energy=    -6256.51052967483    
O         -1.052334996         1.440678952       -0.7998727501    
O          2.737207611        -1.402714600        0.2175165153    
O          1.737800747        0.9600425025       -0.9702218168    
O         -2.794089187       -0.4449381473        0.3904799698    
O          1.182181401        -2.776737339         2.134604082    
O         -1.633756338        -2.439367614         2.023043405    
H          1.715839715        -2.589726670         2.922956560    
H          3.131253105        -1.832758473       -0.5578360573    
H          2.369001278       -0.5111366704       -0.1848360540    
H         0.7088225082         1.121448684       -0.9375095650    
H         -1.682751751        0.7282004084       -0.3659225562    
H         -1.626888372         2.219700671       -0.8912105575    
H         -2.367749235        -1.135545279         1.045271403    
H         -3.298420348        -1.030059419       -0.1952619727    
H          1.737190603        -2.301997103         1.388562353    
H        -0.5960590964        -2.555017897         2.059373042    
H         -1.929434482        -2.817988154         2.867059872    
H          2.081218819         1.830412704       -0.7148714748    
    18
Energy=    -6256.51052952356    
O         -1.052347840         1.440673341       -0.7999027368    
O          2.737210348        -1.402713041        0.2175227881    
O          1.737802643        0.9600402519       -0.9702245748    
O         -2.794089093       -0.4449400982        0.3904778641    
O          1.182181912        -2.776736870         2.134606245    
O         -1.633755203        -2.439369511         2.023040971    
H          1.715839526        -2.589727577         2.922961299    
H          3.131254164        -1.832756863       -0.5578290999    
H          2.369003486       -0.5111361854       -0.1848306254    
H         0.7088233573         1.121442108       -0.9375149516    
H         -1.682753169        0.7281921730       -0.3659433722    
H         -1.626880083         2.219721829       -0.8911513842    
H         -2.367747664        -1.135547379         1.045267579    
H         -3.298427953        -1.030058173       -0.1952595074    
H          1.737191943        -2.301996499         1.388567466    
H        -0.5960588299        -2.555018638         2.059371905    
H         -1.929434602        -2.817985752         2.867056538    
H          2.081219041         1.830413440       -0.7148920025    
    18
Energy=    -6256.51052894201    
O         -1.052412156         1.440656401       -0.8000309480    
O          2.737221284        -1.402706667        0.2175528312    
O          1.737809141        0.9600253886       -0.9702422245    
O         -2.794092600       -0.4449466700        0.3904717839    
O          1.182183684        -2.776736132         2.134620899    
O         -1.633752048        -2.439374749         2.023025569    
H          1.715837094        -2.589731925         2.922978315    
H          3.131259477        -1.832750707       -0.5578029879    
H          2.369012355       -0.5111338187       -0.1848082729    
H         0.7088341851         1.121409349       -0.9375344177    
H         -1.682752519        0.7281411432       -0.3660235814    
H         -1.626846229         2.219823245       -0.8909086534    
H         -2.367738325        -1.135555976         1.045252504    
H         -3.298461908        -1.030054636       -0.1952525535    
H          1.737199477        -2.301992500         1.388586140    
H        -0.5960555787        -2.555022054         2.059367546    
H         -1.929436343        -2.817977755         2.867047192    
H          2.081222993         1.830424618       -0.7149747434    
    18
Energy=    -6256.51052881075    
O         -1.052425263         1.440654447       -0.8000546963    
O          2.737223593        -1.402706019        0.2175577987    
O          1.737813011        0.9600230158       -0.9702458052    
O         -2.794093554       -0.4449480881        0.3904713471    
O          1.182184534        -2.776735402         2.134622654    
O         -1.633750606        -2.439376226         2.023023784    
H          1.715836627        -2.589732734         2.922981471    
H          3.131260119        -1.832749232       -0.5577976393    
H          2.369013745       -0.5111334378       -0.1848041023    
H         0.7088353196         1.121403104       -0.9375375018    
H         -1.682751704        0.7281286645       -0.3660369544    
H         -1.626840245         2.219844057       -0.8908653353    
H         -2.367736416        -1.135557113         1.045249521    
H         -3.298468346        -1.030054126       -0.1952516784    
H          1.737200282        -2.301992207         1.388590212    
H        -0.5960560069        -2.555022482         2.059366594    
H         -1.929436464        -2.817975896         2.867044602    
H          2.081223360         1.830426231       -0.7149898730    
    18
Energy=    -6256.51052860458    
O         -1.052444175         1.440651653       -0.8000759347    
O          2.737225841        -1.402705226        0.2175632236    
O          1.737817164        0.9600200981       -0.9702508858    
O         -2.794096528       -0.4449489720        0.3904713670    
O          1.182184672        -2.776735491         2.134625108    
O         -1.633750431        -2.439377132         2.023021131    
H          1.715836324        -2.589733409         2.922984448    
H          3.131260977        -1.832748117       -0.5577935179    
H          2.369014487       -0.5111331055       -0.1848001948    
H         0.7088406674         1.121395801       -0.9375389195    
H         -1.682745289        0.7281048061       -0.3660455764    
H         -1.626836359         2.219876368       -0.8908294302    
H         -2.367733050        -1.135557050         1.045246646    
H         -3.298474891        -1.030053593       -0.1952517808    
H          1.737201562        -2.301991376         1.388593144    
H        -0.5960554872        -2.555022811         2.059365688    
H         -1.929436885        -2.817974670         2.867043260    
H          2.081223383         1.830428782       -0.7150033774    
    18
Energy=    -6256.51052851767    
O         -1.052445079         1.440651507       -0.8000773645    
O          2.737226062        -1.402705334        0.2175636350    
O          1.737817825        0.9600197839       -0.9702512869    
O         -2.794096765       -0.4449488795        0.3904713946    
O          1.182184670        -2.776735516         2.134625273    
O         -1.633750429        -2.439377199         2.023020973    
H          1.715836311        -2.589733448         2.922984636    
H          3.131261028        -1.832748040       -0.5577932750    
H          2.369014461       -0.5111329684       -0.1848000098    
H         0.7088407292         1.121395402       -0.9375389616    
H         -1.682745019        0.7281029527       -0.3660459188    
H         -1.626836329         2.219878761       -0.8908273037    
H         -2.367732782        -1.135557110         1.045246523    
H         -3.298475358        -1.030053642       -0.1952518650    
H          1.737201643        -2.301991311         1.388593311    
H        -0.5960554480        -2.555022829         2.059365632    
H         -1.929436912        -2.817974600         2.867043187    
H          2.081223376         1.830429027       -0.7150041805    
    18
Energy=    -6256.51052702245    
O         -1.052434453         1.440639009       -0.8000789179    
O          2.737226393        -1.402705399        0.2175640947    
O          1.737820398        0.9600181432       -0.9702521889    
O         -2.794096970       -0.4449488019        0.3904715386    
O          1.182184696        -2.776735539         2.134625499    
O         -1.633750458        -2.439377290         2.023020761    
H          1.715836284        -2.589733504         2.922984884    
H          3.131261093        -1.832747936       -0.5577929221    
H          2.369014393       -0.5111329194       -0.1847996541    
H         0.7088397355         1.121395542       -0.9375390092    
H         -1.682746982        0.7280997956       -0.3660454476    
H         -1.626846499         2.219894960       -0.8908256457    
H         -2.367732390        -1.135557213         1.045246352    
H         -3.298476055        -1.030053779       -0.1952520743    
H          1.737201732        -2.301991240         1.388593571    
H        -0.5960553855        -2.555022865         2.059365566    
H         -1.929436941        -2.817974497         2.867043077    
H          2.081223392         1.830430089       -0.7150050847    
    18
Energy=    -6256.51052399492    
O         -1.052423948         1.440625800       -0.8000784939    
O          2.737226423        -1.402705314        0.2175642077    
O          1.737819777        0.9600169829       -0.9702526153    
O         -2.794096675       -0.4449484060        0.3904716590    
O          1.182184696        -2.776735531         2.134625536    
O         -1.633750467        -2.439377295         2.023020653    
H          1.715836285        -2.589733518         2.922984981    
H          3.131261128        -1.832747917       -0.5577928228    
H          2.369014454       -0.5111329839       -0.1847994785    
H         0.7088406058         1.121395734       -0.9375391538    
H         -1.682748366        0.7280993854       -0.3660452941    
H         -1.626856336         2.219908505       -0.8908258924    
H         -2.367732240        -1.135557357         1.045246348    
H         -3.298476438        -1.030054033       -0.1952523489    
H          1.737201762        -2.301991235         1.388593676    
H        -0.5960553521        -2.555022891         2.059365559    
H         -1.929436955        -2.817974470         2.867043064    
H          2.081223629         1.830431101       -0.7150051852    
    18
Energy=    -6256.51047748577    
O         -1.053376134         1.439759744       -0.8034901928    
O          2.737566639        -1.402409698        0.2184016675    
O          1.737318547        0.9594498841       -0.9703145758    
O         -2.793698996       -0.4450911285        0.3898752565    
O          1.182264649        -2.776710871         2.135030890    
O         -1.633651481        -2.439528829         2.022629435    
H          1.715783755        -2.589876844         2.923520523    
H          3.131413411        -1.832525272       -0.5570096283    
H          2.369082747       -0.5110343879       -0.1841330220    
H         0.7083364563         1.121024405       -0.9380210979    
H         -1.683155758        0.7271628229       -0.3688131709    
H         -1.625071377         2.222117928       -0.8834286959    
H         -2.367304610        -1.135770114         1.044593634    
H         -3.299579407        -1.029889454       -0.1948516219    
H          1.737403684        -2.301828222         1.389171517    
H        -0.5959584015        -2.555121248         2.059254415    
H         -1.929485756        -2.817754435         2.866765192    
H          2.081144014         1.830522275       -0.7178561262    
    18
Energy=    -6256.51051990666    
O         -1.054328321         1.438893688       -0.8069018916    
O          2.737906855        -1.402114082        0.2192391273    
O          1.736817317        0.9588827852       -0.9703765364    
O         -2.793301317       -0.4452338509        0.3892788539    
O          1.182344603        -2.776686211         2.135436244    
O         -1.633552494        -2.439680362         2.022238217    
H          1.715731226        -2.590020170         2.924056064    
H          3.131565695        -1.832302627       -0.5562264337    
H          2.369151040       -0.5109357920       -0.1834665655    
H         0.7078323069         1.120653077       -0.9385030419    
H         -1.683563150        0.7262262604       -0.3715810477    
H         -1.623286417         2.224327350       -0.8760314994    
H         -2.366876980        -1.135982872         1.043940920    
H         -3.300682377        -1.029724874       -0.1944508949    
H          1.737605606        -2.301665208         1.389749357    
H        -0.5958614509        -2.555219605         2.059143271    
H         -1.929534556        -2.817534401         2.866487321    
H          2.081064398         1.830613450       -0.7207070672    
    18
Energy=    -6256.51052295637    
O         -1.054339061         1.438906830       -0.8069029205    
O          2.737906940        -1.402114081        0.2192392724    
O          1.736817771        0.9588837766       -0.9703761617    
O         -2.793301498       -0.4452342989        0.3892785531    
O          1.182344620        -2.776686207         2.135436335    
O         -1.633552467        -2.439680408         2.022238199    
H          1.715731211        -2.590020197         2.924056130    
H          3.131565708        -1.832302582       -0.5562262937    
H          2.369151000       -0.5109357034       -0.1834665319    
H         0.7078312771         1.120652791       -0.9385030442    
H         -1.683561891        0.7262264117       -0.3715820331    
H         -1.623276084         2.224314257       -0.8760294097    
H         -2.366876974        -1.135982784         1.043940735    
H         -3.300682326        -1.029724570       -0.1944505154    
H          1.737605641        -2.301665175         1.389749427    
H        -0.5958614695        -2.555219611         2.059143237    
H         -1.929534553        -2.817534361         2.866487253    
H          2.081064139         1.830612469       -0.7207078327    
    18
Energy=    -6256.51052444673    
O         -1.054350387         1.438918656       -0.8069039936    
O          2.737906953        -1.402113751        0.2192395934    
O          1.736814704        0.9588849041       -0.9703754170    
O         -2.793300943       -0.4452345313        0.3892778553    
O          1.182344650        -2.776686146         2.135436492    
O         -1.633552384        -2.439680475         2.022238031    
H          1.715731195        -2.590020269         2.924056377    
H          3.131565791        -1.832302493       -0.5562259238    
H          2.369151132       -0.5109356844       -0.1834662523    
H         0.7078318014         1.120652376       -0.9385034122    
H         -1.683560326        0.7262287884       -0.3715849432    
H         -1.623264421         2.224299887       -0.8760247747    
H         -2.366876895        -1.135982850         1.043940324    
H         -3.300682641        -1.029724291       -0.1944499869    
H          1.737605747        -2.301665132         1.389749701    
H        -0.5958614854        -2.555219668         2.059143178    
H         -1.929534559        -2.817534259         2.866487116    
H          2.081064049         1.830611495       -0.7207095658    
    18
Energy=    -6256.51052453098    
O         -1.054350069         1.438918214       -0.8069047807    
O          2.737906981        -1.402113447        0.2192397510    
O          1.736813701        0.9588848545       -0.9703751226    
O         -2.793300446       -0.4452347343        0.3892774244    
O          1.182344695        -2.776686094         2.135436607    
O         -1.633552344        -2.439680525         2.022237912    
H          1.715731176        -2.590020323         2.924056549    
H          3.131565848        -1.832302427       -0.5562256397    
H          2.369151206       -0.5109357723       -0.1834659753    
H         0.7078313930         1.120652577       -0.9385036659    
H         -1.683560877        0.7262300709       -0.3715863549    
H         -1.623263301         2.224298927       -0.8760220384    
H         -2.366876827        -1.135982913         1.043940017    
H         -3.300682910        -1.029724141       -0.1944496664    
H          1.737605806        -2.301665114         1.389749923    
H        -0.5958614890        -2.555219718         2.059143144    
H         -1.929534558        -2.817534180         2.866487009    
H          2.081063996         1.830611301       -0.7207106936    
    18
Energy=    -6256.51052468006    
O         -1.054341196         1.438911805       -0.8069193557    
O          2.737908758        -1.402111188        0.2192435108    
O          1.736804386        0.9588818597       -0.9703718593    
O         -2.793293473       -0.4452355193        0.3892710495    
O          1.182345231        -2.776685593         2.135438652    
O         -1.633551848        -2.439681486         2.022236128    
H          1.715730962        -2.590021146         2.924059350    
H          3.131566728        -1.832301265       -0.5562213145    
H          2.369151217       -0.5109352605       -0.1834625122    
H         0.7078206842         1.120656476       -0.9385069826    
H         -1.683571491        0.7262439130       -0.3716056782    
H         -1.623248813         2.224290368       -0.8759799339    
H         -2.366874840        -1.135984972         1.043935977    
H         -3.300688191        -1.029723086       -0.1944458131    
H          1.737606788        -2.301664567         1.389753225    
H        -0.5958614084        -2.555220467         2.059142580    
H         -1.929534578        -2.817533009         2.866485464    
H          2.081063066         1.830609694       -0.7207280891    
    18
Energy=    -6256.51052481824    
O         -1.054339729         1.438903684       -0.8069341773    
O          2.737910636        -1.402108294        0.2192483881    
O          1.736794513        0.9588779696       -0.9703699476    
O         -2.793288135       -0.4452359316        0.3892646118    
O          1.182345142        -2.776685905         2.135441754    
O         -1.633552514        -2.439682011         2.022233106    
H          1.715730842        -2.590021967         2.924062456    
H          3.131567970        -1.832300256       -0.5562174965    
H          2.369150753       -0.5109348489       -0.1834587120    
H         0.7078142591         1.120658680       -0.9385092097    
H         -1.683576430        0.7262451334       -0.3716229675    
H         -1.623234714         2.224295749       -0.8759385925    
H         -2.366871312        -1.135985991         1.043931207    
H         -3.300694324        -1.029721747       -0.1944423371    
H          1.737608413        -2.301663287         1.389755912    
H        -0.5958602166        -2.555221219         2.059141936    
H         -1.929534992        -2.817532259         2.866484943    
H          2.081061823         1.830609056       -0.7207464771    
    18
Energy=    -6256.51052530130    
O         -1.054338633         1.438870024       -0.8070087693    
O          2.737921325        -1.402096870        0.2192702555    
O          1.736759060        0.9588598839       -0.9703621937    
O         -2.793263539       -0.4452382795        0.3892362221    
O          1.182347008        -2.776684940         2.135452932    
O         -1.633551904        -2.439686889         2.022222834    
H          1.715730142        -2.590026050         2.924077910    
H          3.131572623        -1.832293746       -0.5561962794    
H          2.369147366       -0.5109325964       -0.1834400121    
H         0.7077785370         1.120668055       -0.9385182230    
H         -1.683597870        0.7262360467       -0.3717019405    
H         -1.623166613         2.224332614       -0.8757403472    
H         -2.366853386        -1.135989529         1.043906991    
H         -3.300725455        -1.029716049       -0.1944271310    
H          1.737613845        -2.301658764         1.389771939    
H        -0.5958587139        -2.555224066         2.059138117    
H         -1.929536213        -2.817526825         2.866478528    
H          2.081054403         1.830604539       -0.7208364356    
    18
Energy=    -6256.51052528781    
O         -1.054355117         1.438799906       -0.8072027833    
O          2.737947836        -1.402069869        0.2193302855    
O          1.736674399        0.9588056645       -0.9703520890    
O         -2.793208171       -0.4452418421        0.3891710869    
O          1.182352832        -2.776683112         2.135488122    
O         -1.633550209        -2.439695988         2.022190848    
H          1.715725265        -2.590037406         2.924112172    
H          3.131584970        -1.832277229       -0.5561460035    
H          2.369137875       -0.5109258115       -0.1833938338    
H         0.7076972476         1.120681465       -0.9385359327    
H         -1.683641022        0.7261807380       -0.3718888356    
H         -1.622996509         2.224449600       -0.8752486960    
H         -2.366804639        -1.135998188         1.043847173    
H         -3.300807768        -1.029704851       -0.1943949103    
H          1.737629102        -2.301645486         1.389809669    
H        -0.5958536564        -2.555231476         2.059128979    
H         -1.929540985        -2.817515342         2.866467549    
H          2.081040533         1.830605783       -0.7210584011    
    18
Energy=    -6256.51052698677    
O         -1.054415568         1.438650780       -0.8075949925    
O          2.738003781        -1.402019106        0.2194484117    
O          1.736524210        0.9587171721       -0.9703296988    
O         -2.793104448       -0.4452528241        0.3890364542    
O          1.182360368        -2.776679275         2.135543473    
O         -1.633547780        -2.439720406         2.022138569    
H          1.715722363        -2.590057824         2.924192285    
H          3.131607000        -1.832239714       -0.5560380897    
H          2.369116869       -0.5109125347       -0.1832993511    
H         0.7075348504         1.120698734       -0.9385686037    
H         -1.683709732        0.7260502477       -0.3722659129    
H         -1.622654637         2.224715961       -0.8742530487    
H         -2.366701949        -1.136014794         1.043725673    
H         -3.300973588        -1.029677993       -0.1943281325    
H          1.737658176        -2.301619928         1.389891277    
H        -0.5958458954        -2.555245441         2.059109536    
H         -1.929547407        -2.817486253         2.866432745    
H          2.081005369         1.830589755       -0.7215161961    
    18
Energy=    -6256.51053378066    
O         -1.054602456         1.438316061       -0.8085830696    
O          2.738133112        -1.401884441        0.2197325209    
O          1.736170586        0.9584818080       -0.9702942231    
O         -2.792857057       -0.4452997542        0.3887338313    
O          1.182391948        -2.776659643         2.135684988    
O         -1.633526939        -2.439776515         2.022004534    
H          1.715704818        -2.590112089         2.924376825    
H          3.131658145        -1.832142264       -0.5557681753    
H          2.369070772       -0.5108924055       -0.1830588085    
H         0.7071583248         1.120709877       -0.9386383550    
H         -1.683860569        0.7256753306       -0.3731726902    
H         -1.621821565         2.225417471       -0.8718058041    
H         -2.366452740        -1.136044936         1.043417243    
H         -3.301387964        -1.029614723       -0.1941745452    
H          1.737725476        -2.301560090         1.390097430    
H        -0.5958365763        -2.555278967         2.059061361    
H         -1.929565481        -2.817413938         2.866347669    
H          2.080930147         1.830575776       -0.7226363324    
    18
Energy=    -6256.51053972587    
O         -1.055107069         1.437596914       -0.8108236693    
O          2.738430542        -1.401624927        0.2204079648    
O          1.735424478        0.9579779496       -0.9702377452    
O         -2.792350375       -0.4453650388        0.3880480203    
O          1.182448153        -2.776626745         2.136007411    
O         -1.633486871        -2.439902093         2.021703189    
H          1.715669415        -2.590231738         2.924795430    
H          3.131773669        -1.831918704       -0.5551744926    
H          2.368956252       -0.5108126009       -0.1825377668    
H         0.7063523549         1.120673801       -0.9387808195    
H         -1.684153323        0.7248075432       -0.3751918042    
H         -1.619970780         2.227035777       -0.8663151955    
H         -2.365874788        -1.136155732         1.042758933    
H         -3.302325776        -1.029485970       -0.1938472941    
H          1.737887111        -2.301414890         1.390550075    
H        -0.5958024763        -2.555355719         2.058955898    
H         -1.929606578        -2.817248776         2.866153873    
H          2.080768045         1.830547505       -0.7251476100    
    18
Energy=    -6256.51056920644    
O         -1.055662129         1.436968552       -0.8130374367    
O          2.738696539        -1.401350519        0.2210404840    
O          1.734768205        0.9574950716       -0.9702046518    
O         -2.791885455       -0.4454904184        0.3874295340    
O          1.182496754        -2.776593412         2.136303731    
O         -1.633451016        -2.440014530         2.021405315    
H          1.715639223        -2.590345498         2.925207797    
H          3.131877731        -1.831690971       -0.5545890844    
H          2.368862142       -0.5107614152       -0.1820173731    
H         0.7056099937         1.120568606       -0.9389055520    
H         -1.684416645        0.7239503230       -0.3771234442    
H         -1.618201676         2.228619238       -0.8609923545    
H         -2.365336598        -1.136250481         1.042107102    
H         -3.303226327        -1.029352287       -0.1935341631    
H          1.738046013        -2.301273250         1.390991685    
H        -0.5957602242        -2.555431460         2.058856944    
H         -1.929647189        -2.817082900         2.865958636    
H          2.080622641         1.830531907       -0.7275727697    
    18
Energy=    -6256.51063268043    
O         -1.057252505         1.435482426       -0.8187952947    
O          2.739357641        -1.400678284        0.2226773248    
O          1.733173216        0.9562742349       -0.9701673489    
O         -2.790761027       -0.4458106340        0.3858986378    
O          1.182644258        -2.776484573         2.137063614    
O         -1.633308948        -2.440306251         2.020653737    
H          1.715540484        -2.590644842         2.926242153    
H          3.132132792        -1.831084612       -0.5530798606    
H          2.368634123       -0.5106123809       -0.1806853135    
H         0.7038285531         1.120140116       -0.9392067587    
H         -1.685035107        0.7217943931       -0.3820614536    
H         -1.613706004         2.232663354       -0.8473057461    
H         -2.363975891        -1.136553425         1.040466019    
H         -3.305543467        -1.029033672       -0.1927652327    
H          1.738445672        -2.300913924         1.392136957    
H        -0.5956695542        -2.555624036         2.058604807    
H         -1.929752686        -2.816637402         2.865428064    
H          2.080280434         1.830526067       -0.7337799059    
    18
Energy=    -6256.51083924635    
O         -1.057736244         1.435627190       -0.8195220994    
O          2.739368024        -1.400619284        0.2228379062    
O          1.733261609        0.9561976216       -0.9702519332    
O         -2.790789642       -0.4459462361        0.3858700732    
O          1.182642488        -2.776471525         2.137111502    
O         -1.633280753        -2.440313499         2.020564716    
H          1.715532065        -2.590671683         2.926351546    
H          3.132136636        -1.830985967       -0.5529183119    
H          2.368647094       -0.5106072040       -0.1805401170    
H         0.7038396925         1.119801865       -0.9391916146    
H         -1.684990344        0.7215721058       -0.3824781204    
H         -1.613335724         2.233065375       -0.8459244819    
H         -2.363893090        -1.136632870         1.040321699    
H         -3.305759406        -1.029005094       -0.1927262249    
H          1.738497261        -2.300866395         1.392251069    
H        -0.5956315358        -2.555647173         2.058591372    
H         -1.929768535        -2.816568848         2.865346363    
H          2.080292389         1.830568178       -0.7343689459    
    18
Energy=    -6256.51116258731    
O         -1.059493607         1.434404880       -0.8252789560    
O          2.739965140        -1.399990206        0.2244674902    
O          1.731821816        0.9550272966       -0.9702621146    
O         -2.789788040       -0.4462896164        0.3844441719    
O          1.182779131        -2.776365246         2.137863292    
O         -1.633114693        -2.440581528         2.019806281    
H          1.715423550        -2.590967284         2.927353008    
H          3.132376978        -1.830371185       -0.5514473754    
H          2.368461151       -0.5104284024       -0.1792422436    
H         0.7022943334         1.119147616       -0.9394889661    
H         -1.685576668        0.7197270169       -0.3873296457    
H         -1.608993176         2.236786347       -0.8324410243    
H         -2.362636154        -1.137039246         1.038767498    
H         -3.308005124        -1.028714194       -0.1919960835    
H          1.738901462        -2.300501707         1.393361368    
H        -0.5955078221        -2.555841428         2.058356797    
H         -1.929881334        -2.816113607         2.864811643    
H          2.080005040         1.830607050       -0.7404207428    
    18
Energy=    -6256.51133158103    
O         -1.060130631         1.433995463       -0.8273477759    
O          2.740170467        -1.399770438        0.2250536715    
O          1.731311678        0.9546096278       -0.9702650820    
O         -2.789437852       -0.4464094104        0.3839408278    
O          1.182829545        -2.776326375         2.138136102    
O         -1.633047834        -2.440676497         2.019533108    
H          1.715380921        -2.591074111         2.927706620    
H          3.132462343        -1.830150494       -0.5509235377    
H          2.368402304       -0.5103556703       -0.1787805595    
H         0.7017742235         1.118888149       -0.9396043157    
H         -1.685798699        0.7191511826       -0.3890783985    
H         -1.607451057         2.238042226       -0.8276035959    
H         -2.362205554        -1.137208436         1.038223520    
H         -3.308801184        -1.028615502       -0.1917357192    
H          1.739046335        -2.300370542         1.393756127    
H        -0.5954585557        -2.555911540         2.058274687    
H         -1.929923244        -2.815947549         2.864617825    
H          2.079908777         1.830626472       -0.7425791056    
    18
Energy=    -6256.51178893673    
O         -1.063664574         1.432097088       -0.8384009584    
O          2.741167811        -1.398669619        0.2281907643    
O          1.728708045        0.9524126945       -0.9703141655    
O         -2.787707330       -0.4470211275        0.3813812245    
O          1.183115305        -2.776106040         2.139611270    
O         -1.632607972        -2.441166246         2.018069564    
H          1.715113620        -2.591650694         2.929525178    
H          3.132902414        -1.828965952       -0.5481767038    
H          2.368166963       -0.5098873981       -0.1763641182    
H         0.6994147199         1.117189211       -0.9402763318    
H         -1.687022336        0.7168162989       -0.3984080682    
H         -1.599474493         2.244118793       -0.8019246781    
H         -2.360106246        -1.138337089         1.035469260    
H         -3.312948388        -1.028153421       -0.1903917856    
H          1.739813582        -2.299669826         1.395823268    
H        -0.5951565246        -2.556286965         2.057858876    
H         -1.930161733        -2.815034207         2.863563153    
H          2.079479120         1.830811055       -0.7539113502    
    18
Energy=    -6256.51299214376    
O         -1.062373420         1.433236823       -0.8338095843    
O          2.740614188        -1.399242358        0.2269089106    
O          1.729936220        0.9533640961       -0.9703553789    
O         -2.788629698       -0.4466991669        0.3826280624    
O          1.183027794        -2.776174250         2.139034586    
O         -1.632662810        -2.440939377         2.018673657    
H          1.715159973        -2.591422967         2.928658408    
H          3.132698098        -1.829449118       -0.5493949391    
H          2.368373401       -0.5099599996       -0.1774436240    
H         0.7010159654         1.117436447       -0.9400696961    
H         -1.686549378        0.7188327191       -0.3945187073    
H         -1.603193377         2.240764688       -0.8128219292    
H         -2.361251453        -1.138201634         1.036839567    
H         -3.311087341        -1.028450187       -0.1910298862    
H          1.739484891        -2.299961217         1.394906019    
H        -0.5952351228        -2.556131810         2.058063116    
H         -1.930083752        -2.815375808         2.863972744    
H          2.079787806         1.830869676       -0.7489169269    
    18
Energy=    -6256.51410015776    
O         -1.063115094         1.432940723       -0.8365779772    
O          2.740795693        -1.398870035        0.2275694688    
O          1.729581887        0.9528729742       -0.9703119895    
O         -2.788230119       -0.4471028853        0.3820758010    
O          1.183030408        -2.776164730         2.139321891    
O         -1.632631255        -2.441033315         2.018280818    
H          1.715151839        -2.591539569         2.929182769    
H          3.132792286        -1.829158709       -0.5486959933    
H          2.368384525       -0.5099175765       -0.1768022192    
H         0.7004075145         1.116992185       -0.9402954114    
H         -1.687017266        0.7184671305       -0.3967869194    
H         -1.601352647         2.242019188       -0.8065235070    
H         -2.360900051        -1.138422697         1.036108633    
H         -3.311988401        -1.028253226       -0.1906199123    
H          1.739686579        -2.299778954         1.395394680    
H        -0.5950621223        -2.556231283         2.057976882    
H         -1.930145581        -2.815143413         2.863713092    
H          2.079643788         1.830820750       -0.7516857074    
    18
Energy=    -6256.51438425507    
O         -1.066915976         1.431611987       -0.8487310097    
O          2.741676987        -1.397564392        0.2307749700    
O          1.727558202        0.9505466574       -0.9702715465    
O         -2.786533421       -0.4481940756        0.3795793250    
O          1.183227916        -2.776011311         2.140786173    
O         -1.632210947        -2.441527667         2.016633051    
H          1.714944053        -2.592121527         2.931274104    
H          3.133225940        -1.827867194       -0.5456874561    
H          2.368351884       -0.5094374148       -0.1741150212    
H         0.6981975903         1.114806238       -0.9412647783    
H         -1.688752168        0.7169776115       -0.4069106772    
H         -1.593153692         2.247555586       -0.7786800488    
H         -2.359184672        -1.139794126         1.033162625    
H         -3.316176672        -1.027671082       -0.1890542631    
H          1.740525088        -2.298996708         1.397576092    
H        -0.5944838388        -2.556649743         2.057574434    
H         -1.930425473        -2.814087682         2.862518201    
H          2.079161184         1.830921400       -0.7638397760    
    18
Energy=    -6256.51560575171    
O         -1.065166387         1.432586738       -0.8428656695    
O          2.741190037        -1.398208989        0.2291891285    
O          1.728821638        0.9516223519       -0.9702424669    
O         -2.787423989       -0.4477020293        0.3808904404    
O          1.183124579        -2.776112776         2.140058734    
O         -1.632380137        -2.441306035         2.017417330    
H          1.715051489        -2.591832908         2.930286687    
H          3.133004163        -1.828500901       -0.5471371208    
H          2.368462323       -0.5096081501       -0.1754024815    
H         0.6995359933         1.115729356       -0.9409624642    
H         -1.688065832        0.7181359052       -0.4020747689    
H         -1.597312202         2.244431581       -0.7921229737    
H         -2.360276831        -1.139272624         1.034658222    
H         -3.314046762        -1.027971713       -0.1897993326    
H          1.740098379        -2.299371756         1.396500718    
H        -0.5946740660        -2.556444254         2.057783498    
H         -1.930303670        -2.814558388         2.863062619    
H          2.079393256         1.830881147       -0.7579156995    
    18
Energy=    -6256.51612276815    
O         -1.066119618         1.432438845       -0.8453876830    
O          2.741384303        -1.397970040        0.2298902450    
O          1.728417255        0.9510984396       -0.9702199082    
O         -2.787085630       -0.4478805478        0.3803727541    
O          1.183194557        -2.776078433         2.140390204    
O         -1.632245049        -2.441432525         2.017066356    
H          1.714989554        -2.591962155         2.930713871    
H          3.133096952        -1.828237555       -0.5465039167    
H          2.368473042       -0.5094577743       -0.1748384541    
H         0.6991969595         1.115246617       -0.9412376526    
H         -1.688418200        0.7178134534       -0.4042464332    
H         -1.595577258         2.245537387       -0.7862386443    
H         -2.359973255        -1.139609404         1.034071571    
H         -3.314924015        -1.027867783       -0.1894819114    
H          1.740253452        -2.299211527         1.396964289    
H        -0.5945527403        -2.556526626         2.057696920    
H         -1.930369023        -2.814323374         2.862803065    
H          2.079290697         1.830919558       -0.7604902723    
    18
Energy=    -6256.51644393748    
O         -1.066701899         1.432358472       -0.8468680575    
O          2.741513651        -1.397814097        0.2303119804    
O          1.728161107        0.9507679430       -0.9701863614    
O         -2.786861322       -0.4479773585        0.3800432712    
O          1.183235711        -2.776067777         2.140593685    
O         -1.632171327        -2.441521010         2.016854135    
H          1.714958200        -2.592038308         2.930983580    
H          3.133156186        -1.828087966       -0.5461168762    
H          2.368487053       -0.5093722583       -0.1744859197    
H         0.6989669187         1.115007843       -0.9414397579    
H         -1.688643062        0.7175698952       -0.4055864150    
H         -1.594497146         2.246208829       -0.7826699536    
H         -2.359796213        -1.139797895         1.033714832    
H         -3.315458076        -1.027800950       -0.1892869460    
H          1.740342649        -2.299115574         1.397246497    
H        -0.5944742729        -2.556575901         2.057643055    
H         -1.930405737        -2.814179478         2.862644406    
H          2.079219563         1.830932148       -0.7620707567    
    18
Energy=    -6256.51678834433    
O         -1.067279621         1.432302934       -0.8483175159    
O          2.741661962        -1.397676025        0.2307459320    
O          1.727880249        0.9504483592       -0.9701367306    
O         -2.786632903       -0.4480844366        0.3796963758    
O          1.183288041        -2.776057566         2.140803081    
O         -1.632086138        -2.441615016         2.016628218    
H          1.714924162        -2.592115585         2.931252904    
H          3.133216390        -1.827944615       -0.5457262152    
H          2.368503413       -0.5092714279       -0.1741332126    
H         0.6987394931         1.114800823       -0.9416761580    
H         -1.688886946        0.7172988291       -0.4069441957    
H         -1.593399142         2.246865255       -0.7790909255    
H         -2.359631611        -1.139972838         1.033358095    
H         -3.315984921        -1.027720834       -0.1890821479    
H          1.740421647        -2.299024903         1.397535836    
H        -0.5944007199        -2.556625141         2.057588662    
H         -1.930444061        -2.814037928         2.862495070    
H          2.079142689         1.830926671       -0.7636726743    
    18
Energy=    -6256.51718000195    
O         -1.067955153         1.432239873       -0.8499085219    
O          2.741823902        -1.397480082        0.2312215064    
O          1.727575967        0.9500534318       -0.9700765170    
O         -2.786355931       -0.4481701295        0.3793026855    
O          1.183335297        -2.776061208         2.141044697    
O         -1.632008585        -2.441736752         2.016390578    
H          1.714894888        -2.592199143         2.931569047    
H          3.133287479        -1.827792916       -0.5452847568    
H          2.368541381       -0.5091879869       -0.1737130196    
H         0.6984476249         1.114604236       -0.9419678180    
H         -1.689157550        0.7169903034       -0.4085019175    
H         -1.592143551         2.247590753       -0.7750488709    
H         -2.359448441        -1.140171623         1.032962672    
H         -3.316594585        -1.027646000       -0.1888669691    
H          1.740515013        -2.298920070         1.397858052    
H        -0.5943075884        -2.556681551         2.057525708    
H         -1.930479012        -2.813868953         2.862308209    
H          2.079060829         1.830934374       -0.7654903670    
    18
Energy=    -6256.51752043299    
O         -1.068498799         1.432219411       -0.8512013851    
O          2.741980357        -1.397351869        0.2316301738    
O          1.727292658        0.9497519048       -0.9700154592    
O         -2.786129865       -0.4482597797        0.3789643383    
O          1.183386544        -2.776061643         2.141244205    
O         -1.631932425        -2.441837697         2.016175521    
H          1.714868430        -2.592268921         2.931829383    
H          3.133344937        -1.827670756       -0.5449158084    
H          2.368570330       -0.5090941191       -0.1733728289    
H         0.6982235025         1.114461554       -0.9422356520    
H         -1.689401994        0.7167138241       -0.4097927229    
H         -1.591097887         2.248170618       -0.7717098298    
H         -2.359309976        -1.140321949         1.032634906    
H         -3.317087160        -1.027569643       -0.1886788580    
H          1.740580976        -2.298840338         1.398133178    
H        -0.5942354640        -2.556728973         2.057474086    
H         -1.930510990        -2.813734216         2.862168353    
H          2.078988808         1.830919148       -0.7670072021    
    18
Energy=    -6256.51806539099    
O         -1.073397877         1.432089925       -0.8620274935    
O          2.743371440        -1.395996683        0.2352065654    
O          1.724885341        0.9470080052       -0.9694695915    
O         -2.784130767       -0.4489208057        0.3758480307    
O          1.183841137        -2.776144442         2.143172394    
O         -1.631243225        -2.442829631         2.014324510    
H          1.714620825        -2.592881904         2.934074030    
H          3.133883268        -1.826720282       -0.5417242073    
H          2.368978857       -0.5084638381       -0.1702459476    
H         0.6959591771         1.113561216       -0.9448208616    
H         -1.691504241        0.7142513335       -0.4212196651    
H         -1.581862671         2.253073105       -0.7425827576    
H         -2.358123583        -1.141581979         1.029838622    
H         -3.321412177        -1.026901336       -0.1870805022    
H          1.741161770        -2.298157609         1.400521424    
H        -0.5936519485        -2.557157361         2.057000469    
H         -1.930748442        -2.812522314         2.860901570    
H          2.078405102         1.830791155       -0.7803921899    
    18
Energy=    -6256.51937777420    
O         -1.071533553         1.432541402       -0.8572422631    
O          2.742976583        -1.396673891        0.2337857229    
O          1.725715666        0.9480592829       -0.9695520839    
O         -2.784828843       -0.4485506287        0.3771134414    
O          1.183695997        -2.776177142         2.142327061    
O         -1.631547805        -2.442546493         2.015048050    
H          1.714785866        -2.592607610         2.933295482    
H          3.133653729        -1.827174602       -0.5429343089    
H          2.368916832       -0.5085953300       -0.1714533493    
H         0.6970896916         1.114235998       -0.9442140294    
H         -1.690827012        0.7150199387       -0.4167629367    
H         -1.585538281         2.250866642       -0.7543457819    
H         -2.358855517        -1.141017985         1.030993805    
H         -3.319665996        -1.027210900       -0.1877753632    
H          1.740820562        -2.298488657         1.399629212    
H        -0.5938034032        -2.556987512         2.057186671    
H         -1.930632718        -2.812965476         2.861380878    
H          2.078610183         1.830769520       -0.7751558093    
    18
Energy=    -6256.51980402188    
O         -1.072252157         1.432574116       -0.8588234924    
O          2.743233162        -1.396428609        0.2343799562    
O          1.725301136        0.9476691223       -0.9694413528    
O         -2.784527449       -0.4487074812        0.3765152681    
O          1.183769694        -2.776218041         2.142696845    
O         -1.631422805        -2.442713813         2.014700811    
H          1.714742782        -2.592705329         2.933643418    
H          3.133749892        -1.827062703       -0.5424350384    
H          2.369021833       -0.5085236894       -0.1709250576    
H         0.6966104754         1.114228337       -0.9447196181    
H         -1.691223863        0.7146936637       -0.4186278077    
H         -1.584018443         2.251464576       -0.7497056637    
H         -2.358685259        -1.141174962         1.030561279    
H         -3.320312006        -1.027046105       -0.1874819873    
H          1.740915728        -2.298387075         1.400006100    
H        -0.5937248088        -2.557067373         2.057109407    
H         -1.930668963        -2.812785633         2.861219170    
H          2.078523035         1.830687554       -0.7773478377    
    18
Energy=    -6256.52038922334    
O         -1.074566945         1.432692671       -0.8641765442    
O          2.744158590        -1.395709988        0.2363384557    
O          1.723660225        0.9464257612       -0.9691750738    
O         -2.783389847       -0.4491812362        0.3746994723    
O          1.183979763        -2.776333696         2.143716579    
O         -1.631185179        -2.443272904         2.013635552    
H          1.714694217        -2.592997088         2.934932636    
H          3.134026621        -1.826631018       -0.5406816937    
H          2.369336211       -0.5082924841       -0.1691666155    
H         0.6950011059         1.114154164       -0.9462960992    
H         -1.692513881        0.7135094018       -0.4247659480    
H         -1.578880724         2.253510929       -0.7342021257    
H         -2.358028359        -1.141617697         1.029028049    
H         -3.322637934        -1.026634287       -0.1866624019    
H          1.741224878        -2.298085511         1.401354138    
H        -0.5934136385        -2.557357057         2.056851941    
H         -1.930737669        -2.812148994         2.860578480    
H          2.078304549         1.830465591       -0.7846844026    
    18
Energy=    -6256.52102162072    
O         -1.074668631         1.432778368       -0.8642985557    
O          2.744372441        -1.395586049        0.2365956478    
O          1.723245878        0.9465483430       -0.9693487168    
O         -2.783371299       -0.4492702002        0.3743395198    
O          1.184015951        -2.776352169         2.143938952    
O         -1.631133471        -2.443337189         2.013499487    
H          1.714676982        -2.593025484         2.934990163    
H          3.134041728        -1.826651938       -0.5405119975    
H          2.369435202       -0.5084551067       -0.1689210339    
H         0.6944317959         1.114380352       -0.9464071834    
H         -1.692537238        0.7134543872       -0.4251800685    
H         -1.578278281         2.253386133       -0.7329727000    
H         -2.357778268        -1.141499057         1.028877743    
H         -3.322904843        -1.026574649       -0.1866725562    
H          1.741291914        -2.298120993         1.401532600    
H        -0.5935535415        -2.557443162         2.056798721    
H         -1.930692470        -2.812107242         2.860555148    
H          2.078438134         1.830372210       -0.7854907716    
    18
Energy=    -6256.52186857540    
O         -1.075683152         1.432968955       -0.8664995954    
O          2.745072362        -1.395230447        0.2377189612    
O          1.721903163        0.9462772632       -0.9696361360    
O         -2.782885126       -0.4495438201        0.3732516105    
O          1.184110683        -2.776408129         2.144498135    
O         -1.631119793        -2.443603986         2.012942052    
H          1.714700722        -2.593151307         2.935637284    
H          3.134141565        -1.826490336       -0.5395840622    
H          2.369640165       -0.5085784641       -0.1679480167    
H         0.6930183716         1.114627471       -0.9469932126    
H         -1.692951848        0.7128767972       -0.4278966064    
H         -1.575477527         2.254004991       -0.7255281432    
H         -2.357093024        -1.141448379         1.028004939    
H         -3.324251511        -1.026433877       -0.1864852596    
H          1.741520181        -2.298083645         1.402340487    
H        -0.5935869310        -2.557700767         2.056621605    
H         -1.930628897        -2.811803162         2.860253332    
H          2.078602580         1.830217396       -0.7893729747    
    18
Energy=    -6256.52292384629    
O         -1.077734019         1.433297464       -0.8712112139    
O          2.746326917        -1.394477827        0.2398026302    
O          1.719452442        0.9455357550       -0.9702912175    
O         -2.781929196       -0.4499559804        0.3712186937    
O          1.184254077        -2.776458333         2.145561631    
O         -1.631090832        -2.444058804         2.011985977    
H          1.714730835        -2.593424712         2.936941728    
H          3.134315166        -1.826100689       -0.5376907373    
H          2.369857539       -0.5086832215       -0.1661458577    
H         0.6906587027         1.114918444       -0.9476763721    
H         -1.693658218        0.7118499778       -0.4328402553    
H         -1.570069212         2.255395554       -0.7109323866    
H         -2.355785787        -1.141561345         1.026007622    
H         -3.326884558        -1.026321607       -0.1860505073    
H          1.742074285        -2.297963274         1.403867896    
H        -0.5936215335        -2.558186451         2.056200471    
H         -1.930564016        -2.811177978         2.859605087    
H          2.078699393         1.829869583       -0.7970287909    
    18
Energy=    -6256.52312022775    
O         -1.078852549         1.433514509       -0.8732103570    
O          2.747067599        -1.394045253        0.2412106735    
O          1.717945253        0.9450237685       -0.9711671335    
O         -2.781472032       -0.4502178920        0.3699700065    
O          1.184477429        -2.776282908         2.145861488    
O         -1.631347038        -2.444104514         2.011371069    
H          1.714802197        -2.593580097         2.937773599    
H          3.134421771        -1.825997945       -0.5367141799    
H          2.369770166       -0.5086816416       -0.1653184051    
H         0.6890695381         1.115406044       -0.9473452279    
H         -1.693598002        0.7116180913       -0.4346183466    
H         -1.567029150         2.255705595       -0.7037547329    
H         -2.354877086        -1.141481322         1.024399517    
H         -3.328343870        -1.026440617       -0.1859036783    
H          1.742416845        -2.298107068         1.404939636    
H        -0.5936345080        -2.558570235         2.055857635    
H         -1.930543707        -2.810896637         2.859404582    
H          2.078759126         1.829634679       -0.8014317452    
    18
Energy=    -6256.52374352175    
O         -1.079150932         1.433651528       -0.8740180648    
O          2.747161766        -1.393896804        0.2412981350    
O          1.717777883        0.9448850047       -0.9711389512    
O         -2.781392068       -0.4502327595        0.3697317473    
O          1.184415713        -2.776356456         2.146153612    
O         -1.631202256        -2.444200250         2.011330345    
H          1.714762557        -2.593635433         2.937905570    
H          3.134411592        -1.825881776       -0.5363796702    
H          2.369791154       -0.5086584073       -0.1650928302    
H         0.6890868532         1.115267955       -0.9474312082    
H         -1.693769510        0.7114864705       -0.4352464549    
H         -1.566420513         2.255974590       -0.7017735235    
H         -2.354807539        -1.141658387         1.024162489    
H         -3.328624909        -1.026431895       -0.1857845998    
H          1.742568855        -2.297981150         1.404997751    
H        -0.5936731764        -2.558584974         2.055784622    
H         -1.930564967        -2.810775096         2.859250307    
H          2.078661481         1.829524397       -0.8024248766    
    18
Energy=    -6256.52404357462    
O         -1.079471454         1.433776293       -0.8746401652    
O          2.747190298        -1.393712710        0.2414689563    
O          1.717706756        0.9446101636       -0.9711364659    
O         -2.781303155       -0.4502570991        0.3694678843    
O          1.184445919        -2.776347270         2.146335974    
O         -1.631108007        -2.444233521         2.011241415    
H          1.714712643        -2.593704981         2.938063311    
H          3.134429599        -1.825812406       -0.5361086055    
H          2.369742988       -0.5085548070       -0.1649543912    
H         0.6891224608         1.115202182       -0.9473786753    
H         -1.693867528        0.7115017335       -0.4356719231    
H         -1.565842679         2.256133956       -0.7000392330    
H         -2.354783142        -1.141857957         1.023802508    
H         -3.328847664        -1.026453342       -0.1856401764    
H          1.742692249        -2.297908455         1.405115399    
H        -0.5936647923        -2.558605824         2.055689723    
H         -1.930620400        -2.810673039         2.859156329    
H          2.078497891         1.829393640       -0.8034474657    
    18
Energy=    -6256.52447132319    
O         -1.080422784         1.434098865       -0.8764659044    
O          2.747460786        -1.393176863        0.2422612858    
O          1.717047663        0.9438154533       -0.9712853214    
O         -2.780908895       -0.4504157355        0.3684823294    
O          1.184591629        -2.776288418         2.146810360    
O         -1.630990425        -2.444329240         2.010836549    
H          1.714621611        -2.593909010         2.938679015    
H          3.134501590        -1.825617332       -0.5352059646    
H          2.369601022       -0.5083041482       -0.1644357247    
H         0.6886512731         1.115218856       -0.9472363091    
H         -1.694129166        0.7114342915       -0.4372065556    
H         -1.563612375         2.256584466       -0.6940890098    
H         -2.354450976        -1.142267544         1.022569929    
H         -3.329782075        -1.026507642       -0.1852910214    
H          1.743058072        -2.297763348         1.405694243    
H        -0.5936364018        -2.558745993         2.055391302    
H         -1.930738309        -2.810359283         2.858883052    
H          2.078169744         1.829029182       -0.8070678543    
    18
Energy=    -6256.52489500200    
O         -1.080810537         1.434477228       -0.8770226834    
O          2.747481255        -1.392667246        0.2427979073    
O          1.716491602        0.9431463895       -0.9712942752    
O         -2.780555603       -0.4506100576        0.3677061548    
O          1.184754203        -2.776215959         2.147091657    
O         -1.630972576        -2.444329252         2.010542701    
H          1.714501923        -2.594106079         2.939153713    
H          3.134526043        -1.825428684       -0.5345117541    
H          2.369325285       -0.5080381806       -0.1643227248    
H         0.6882319879         1.115094056       -0.9468051838    
H         -1.694246551        0.7115107576       -0.4377229782    
H         -1.562009996         2.256752486       -0.6906149028    
H         -2.354105453        -1.142652174         1.021574475    
H         -3.330461675        -1.026628910       -0.1852062261    
H          1.743424532        -2.297560017         1.406096755    
H        -0.5936350165        -2.558790332         2.055135956    
H         -1.930853708        -2.810089536         2.858630235    
H          2.077946268         1.828632068       -0.8099044273    
    18
Energy=    -6256.52510818332    
O         -1.081254733         1.434646969       -0.8778651802    
O          2.747622417        -1.392378865        0.2432819640    
O          1.716020229        0.9427432267       -0.9713125413    
O         -2.780284446       -0.4507594059        0.3671465074    
O          1.184853998        -2.776189364         2.147318491    
O         -1.630940709        -2.444390953         2.010277678    
H          1.714451011        -2.594221118         2.939507391    
H          3.134567199        -1.825300229       -0.5340102699    
H          2.369250824       -0.5079194795       -0.1640544130    
H         0.6877929371         1.115044959       -0.9467944390    
H         -1.694418256        0.7114044309       -0.4386617280    
H         -1.560698930         2.257047124       -0.6873098015    
H         -2.353842010        -1.142840363         1.020971882    
H         -3.331043683        -1.026629236       -0.1850923225    
H          1.743610999        -2.297455053         1.406452951    
H        -0.5936148376        -2.558854532         2.054998340    
H         -1.930903093        -2.809905415         2.858457037    
H          2.077863067         1.828453859       -0.8119871467    
    18
Energy=    -6256.52543274128    
O         -1.085343174         1.436629707       -0.8851184774    
O          2.748895532        -1.389365433        0.2481117696    
O          1.710936586        0.9383121713       -0.9712979610    
O         -2.777417371       -0.4526558524        0.3610790992    
O          1.185885297        -2.775928083         2.149491220    
O         -1.630569324        -2.444949583         2.007364379    
H          1.713870739        -2.595483244         2.943290020    
H          3.134870830        -1.823739943       -0.5285230873    
H          2.368186489       -0.5065192328       -0.1616367580    
H         0.6828488509         1.114145086       -0.9462778945    
H         -1.696139577        0.7105597275       -0.4477077273    
H         -1.546996434         2.259908566       -0.6541264588    
H         -2.350878542        -1.144970945         1.014700413    
H         -3.337060723        -1.026592354       -0.1841885950    
H          1.745686732        -2.296091121         1.410191698    
H        -0.5934497147        -2.559384514         2.053562693    
H         -1.931490600        -2.807909755         2.856584888    
H          2.077196388         1.826531358       -0.8341748219    
    18
Energy=    -6256.52686097424    
O         -1.082982477         1.436008667       -0.8803883471    
O          2.747788642        -1.390336008        0.2460380864    
O          1.713138761        0.9397578623       -0.9707473651    
O         -2.778402493       -0.4521947320        0.3634315966    
O          1.185658840        -2.775929475         2.148361997    
O         -1.630705875        -2.444584273         2.008426900    
H          1.713920824        -2.595104500         2.941761098    
H          3.134726779        -1.824216880       -0.5307431008    
H          2.368209158       -0.5067851589       -0.1632578582    
H         0.6847897551         1.113911754       -0.9459814978    
H         -1.695447633        0.7112099794       -0.4430514033    
H         -1.552716308         2.258675878       -0.6694079020    
H         -2.352004735        -1.144462336         1.017260070    
H         -3.334475418        -1.026626025       -0.1848524450    
H          1.744927443        -2.296325849         1.408643582    
H        -0.5934561757        -2.558933819         2.054149759    
H         -1.931393726        -2.808624735         2.857247783    
H          2.077456624         1.827056207       -0.8255665532    
    18
Energy=    -6256.52746925572    
O         -1.083506949         1.436454861       -0.8813453447    
O          2.748018902        -1.389764630        0.2470171048    
O          1.711952752        0.9391290313       -0.9707574626    
O         -2.777824250       -0.4526775096        0.3622778623    
O          1.185822663        -2.775916338         2.148803075    
O         -1.630701867        -2.444724554         2.007862936    
H          1.713791521        -2.595353201         2.942436496    
H          3.134779272        -1.823877210       -0.5297070034    
H          2.367993476       -0.5066037467       -0.1627976468    
H         0.6835385371         1.113561024       -0.9458574674    
H         -1.695782662        0.7109893805       -0.4447063376    
H         -1.550045681         2.259239250       -0.6633140298    
H         -2.351264266        -1.144819909         1.016176652    
H         -3.335730497        -1.026611088       -0.1848983777    
H          1.745337462        -2.295973639         1.409388109    
H        -0.5934081384        -2.559014506         2.053915303    
H         -1.931460843        -2.808192905         2.856788449    
H          2.077522551         1.826652244       -0.8299579185    
    18
Energy=    -6256.52770546660    
O         -1.085670207         1.438444320       -0.8846670899    
O          2.748665687        -1.387396846        0.2506636211    
O          1.707690756        0.9359261421       -0.9705621264    
O         -2.775566690       -0.4546651487        0.3575127730    
O          1.186445202        -2.775804961         2.150332639    
O         -1.630236046        -2.445230718         2.005366652    
H          1.713242954        -2.596400743         2.945289830    
H          3.134944952        -1.822377359       -0.5253633299    
H          2.366938275       -0.5055819895       -0.1610736096    
H         0.6790571785         1.111892342       -0.9451667718    
H         -1.697198035        0.7104886085       -0.4510283432    
H         -1.539508109         2.261484902       -0.6392048746    
H         -2.348643471        -1.146744092         1.011713055    
H         -3.340457152        -1.026534951       -0.1849557076    
H          1.746938728        -2.294380072         1.412382488    
H        -0.5931777036        -2.559195063         2.052962568    
H         -1.931948361        -2.806433415         2.855056948    
H          2.077514023         1.825005600       -0.8479343225    
    18
Energy=    -6256.52848329008    
O         -1.084482799         1.437801858       -0.8825171058    
O          2.748244904        -1.388398428        0.2491423110    
O          1.709530000        0.9372568046       -0.9705942681    
O         -2.776517062       -0.4540424694        0.3595206278    
O          1.186167033        -2.775845327         2.149724980    
O         -1.630389877        -2.445076510         2.006346007    
H          1.713370895        -2.596017742         2.943988486    
H          3.134878005        -1.822899991       -0.5271773664    
H          2.367271093       -0.5059517056       -0.1617945513    
H         0.6808933571         1.112197814       -0.9453463122    
H         -1.696672451        0.7108548962       -0.4481712077    
H         -1.543999910         2.260602131       -0.6497075247    
H         -2.349772707        -1.146136785         1.013654179    
H         -3.338421938        -1.026548358       -0.1851522604    
H          1.746206122        -2.294820666         1.411162652    
H        -0.5930807305        -2.559028704         2.053424520    
H         -1.931773916        -2.807046513         2.855619772    
H          2.077581965         1.825596253       -0.8407985395    
    18
Energy=    -6256.52871800840    
O         -1.084670660         1.438135431       -0.8826533159    
O          2.748255915        -1.388153919        0.2495545094    
O          1.709200412        0.9369015362       -0.9706306803    
O         -2.776336258       -0.4542755376        0.3590753179    
O          1.186183625        -2.775824518         2.149882479    
O         -1.630244982        -2.445171580         2.006049786    
H          1.713297323        -2.596134968         2.944251847    
H          3.134918086        -1.822737007       -0.5267799064    
H          2.367160064       -0.5058390830       -0.1615287202    
H         0.6805683452         1.111907316       -0.9452584650    
H         -1.696855524        0.7109074033       -0.4487419923    
H         -1.543024942         2.260840111       -0.6473173302    
H         -2.349615797        -1.146457446         1.013204753    
H         -3.338842387        -1.026561658       -0.1852275431    
H          1.746300271        -2.294587939         1.411485457    
H        -0.5929672777        -2.559024904         2.053356251    
H         -1.931845243        -2.806814728         2.855394416    
H          2.077551012         1.825388047       -0.8427924643    
    18
Energy=    -6256.53005988392    
O         -1.087275976         1.441994081       -0.8847162945    
O          2.748951326        -1.385604366        0.2543962905    
O          1.705128191        0.9325896425       -0.9716034766    
O         -2.774316455       -0.4570080446        0.3536596350    
O          1.186437754        -2.775518335         2.152069094    
O         -1.628833663        -2.446342859         2.002519928    
H          1.712422107        -2.597527406         2.947317469    
H          3.135273601        -1.820725112       -0.5217257030    
H          2.365948486       -0.5045785913       -0.1579728143    
H         0.6765715835         1.109074016       -0.9442466055    
H         -1.698884869        0.7115764594       -0.4557145415    
H         -1.531203703         2.263563543       -0.6180128739    
H         -2.347775210        -1.150059031         1.007536494    
H         -3.343850971        -1.026727280       -0.1859930711    
H          1.747331475        -2.291988219         1.415370159    
H        -0.5914077760        -2.559184586         2.052512159    
H         -1.932590780        -2.804053575         2.852717528    
H          2.077106861         1.823016220       -0.8667889793    
    18
Energy=    -6256.53089359073    
O         -1.087242260         1.443050422       -0.8834476343    
O          2.749318293        -1.385706378        0.2552495594    
O          1.704904117        0.9322425192       -0.9729746041    
O         -2.774731814       -0.4572735151        0.3533859256    
O          1.185710837        -2.775444888         2.152126764    
O         -1.627996213        -2.446744364         2.001741091    
H          1.712646540        -2.597540834         2.947773575    
H          3.135350624        -1.820495514       -0.5215311438    
H          2.366110869       -0.5048893494       -0.1565448555    
H         0.6766878278         1.109110231       -0.9440263589    
H         -1.699038853        0.7122301458       -0.4554092078    
H         -1.530805505         2.263585317       -0.6160039757    
H         -2.348142954        -1.150729545         1.006888651    
H         -3.343893193        -1.027012308       -0.1867300981    
H          1.746812064        -2.291588186         1.415751592    
H        -0.5909763650        -2.559354483         2.052658877    
H         -1.932606857        -2.803584127         2.852380290    
H          2.076924826         1.822641413       -0.8699640485    
    18
Energy=    -6256.53219568678    
O         -1.087793083         1.443876149       -0.8836500169    
O          2.749631945        -1.385297722        0.2563918546    
O          1.704169377        0.9314136232       -0.9734948678    
O         -2.774462346       -0.4577986431        0.3523311367    
O          1.185873131        -2.775237915         2.152766100    
O         -1.627873747        -2.447073750         2.001062028    
H          1.712411438        -2.597844037         2.948238961    
H          3.135445327        -1.820145382       -0.5206082426    
H          2.365977403       -0.5047315791       -0.1555453023    
H         0.6760134573         1.108936919       -0.9438827447    
H         -1.699421342        0.7124769470       -0.4566096954    
H         -1.528581134         2.264040625       -0.6101560799    
H         -2.347959243        -1.151406673         1.005604441    
H         -3.344743065        -1.027098483       -0.1869405843    
H          1.746783519        -2.291182213         1.416539343    
H        -0.5904370294        -2.559498481         2.052506906    
H         -1.932669954        -2.802960505         2.851743103    
H          2.076667331         1.822027677       -0.8749719408    
    18
Energy=    -6256.53335038363    
O         -1.089254337         1.446323741       -0.8840033108    
O          2.750716165        -1.384032976        0.2597809213    
O          1.701468446        0.9288860768       -0.9751766603    
O         -2.773616504       -0.4593383070        0.3489510598    
O          1.185971048        -2.774769952         2.154388640    
O         -1.627226056        -2.447950576         1.998788889    
H          1.712017542        -2.598654241         2.950126363    
H          3.135630937        -1.819010514       -0.5176181726    
H          2.365563695       -0.5043858093       -0.1526213768    
H         0.6735686849         1.108644108       -0.9432638971    
H         -1.700441137        0.7131214797       -0.4598994250    
H         -1.521619571         2.265283655       -0.5926753184    
H         -2.347053881        -1.153299513         1.001650503    
H         -3.347488732        -1.027431465       -0.1877250892    
H          1.746927746        -2.289953491         1.418857570    
H        -0.5893107194        -2.559974174         2.051995939    
H         -1.932870575        -2.801190852         2.850049534    
H          2.076049232         1.820229367       -0.8902817710    
    18
Energy=    -6256.53409728744    
O         -1.089123525         1.446877787       -0.8825164157    
O          2.751314972        -1.384114322        0.2605375956    
O          1.701017810        0.9285373977       -0.9761874325    
O         -2.773904056       -0.4595765079        0.3484394423    
O          1.185916501        -2.774437632         2.154883749    
O         -1.627269381        -2.448218637         1.998252286    
H          1.712061073        -2.598758172         2.950409518    
H          3.135558321        -1.818785762       -0.5172025205    
H          2.365800854       -0.5046877447       -0.1516657195    
H         0.6732978541         1.109595049       -0.9432402010    
H         -1.700422029        0.7135287408       -0.4591326726    
H         -1.521109805         2.265159938       -0.5911900832    
H         -2.347139645        -1.153435929         1.000841843    
H         -3.347484146        -1.027684702       -0.1883722691    
H          1.746491404        -2.289975438         1.419027865    
H        -0.5890116995        -2.560321805         2.051959094    
H         -1.932675905        -2.800806929         2.849688773    
H          2.075713385         1.819601225       -0.8932084539    
    18
Energy=    -6256.53520365465    
O         -1.089980458         1.448677654       -0.8822551438    
O          2.752083028        -1.383131179        0.2630170639    
O          1.698989498        0.9267535316       -0.9772995592    
O         -2.773396081       -0.4606920695        0.3459836086    
O          1.185847664        -2.774108523         2.155977011    
O         -1.626731743        -2.448796712         1.996499744    
H          1.711952782        -2.599287124         2.952020548    
H          3.135617306        -1.817919445       -0.5150207032    
H          2.365635681       -0.5045288201       -0.1497369650    
H         0.6715310546         1.109512306       -0.9429157753    
H         -1.701088481        0.7139937695       -0.4609082998    
H         -1.516320503         2.265994219       -0.5792035570    
H         -2.346376101        -1.154707728        0.9980996245    
H         -3.349395865        -1.027998369       -0.1892035816    
H          1.746669285        -2.289170875         1.420507462    
H        -0.5885646134        -2.560717888         2.051536036    
H         -1.932758097        -2.799563183         2.848527783    
H          2.075317629         1.818186993       -0.9043008963    
    18
Energy=    -6256.53670220064    
O         -1.091397134         1.452452253       -0.8805819593    
O          2.753451428        -1.381049582        0.2679570512    
O          1.695135764        0.9230917483       -0.9792261764    
O         -2.772561088       -0.4630578951        0.3410950602    
O          1.185737769        -2.773349271         2.158221178    
O         -1.625730994        -2.449908653         1.992855466    
H          1.711804769        -2.600346072         2.955365743    
H          3.135617470        -1.816056854       -0.5105537620    
H          2.365424114       -0.5041411388       -0.1462319725    
H         0.6682085967         1.109181576       -0.9424351324    
H         -1.702354381        0.7151923555       -0.4633636792    
H         -1.507300040         2.267618305       -0.5563246700    
H         -2.344875284        -1.157321228        0.9927691298    
H         -3.352962757        -1.028745351       -0.1913432507    
H          1.747077630        -2.287613628         1.423256642    
H        -0.5879382769        -2.561528174         2.050570568    
H         -1.932871357        -2.797011287         2.846136980    
H          2.074565756         1.815089453       -0.9268428190    
    18
Energy=    -6256.53817818431    
O         -1.091111521         1.452676808       -0.8791958530    
O          2.753461927        -1.380908868        0.2681398638    
O          1.695269960        0.9230814621       -0.9790800722    
O         -2.772927617       -0.4631561483        0.3410939771    
O          1.185666962        -2.773195687         2.158357903    
O         -1.625844767        -2.449890208         1.992591560    
H          1.712065214        -2.600277741         2.955687188    
H          3.135457026        -1.815946513       -0.5104174537    
H          2.365794266       -0.5041892545       -0.1465127231    
H         0.6684624700         1.109357794       -0.9428609322    
H         -1.702210627        0.7155007582       -0.4617734755    
H         -1.508061927         2.267526516       -0.5573626776    
H         -2.344901077        -1.157233186        0.9928908500    
H         -3.352612305        -1.028979314       -0.1920851286    
H          1.747114021        -2.287876409         1.422964465    
H        -0.5884778380        -2.561696528         2.050343387    
H         -1.932715482        -2.796942668         2.846091340    
H          2.074603298         1.814645743       -0.9275478205    
    18
Energy=    -6256.54043477478    
O         -1.091896327         1.455688184       -0.8763992180    
O          2.754191421        -1.379300471        0.2715629674    
O          1.693169949        0.9203416341       -0.9800869582    
O         -2.772724020       -0.4650295842        0.3378004547    
O          1.185812511        -2.772442540         2.160200518    
O         -1.625496978        -2.450708264         1.989883475    
H          1.711962335        -2.601028042         2.957914078    
H          3.135335359        -1.814534521       -0.5071106706    
H          2.365832316       -0.5036087032       -0.1444761597    
H         0.6666626152         1.108581165       -0.9428491108    
H         -1.702993171        0.7169492143       -0.4618236027    
H         -1.502823171         2.268678936       -0.5426177607    
H         -2.344156368        -1.159267017        0.9893382992    
H         -3.354553574        -1.029721143       -0.1943309785    
H          1.747425839        -2.286925985         1.424848392    
H        -0.5881563467        -2.562277696         2.049368361    
H         -1.932769321        -2.794977754         2.844215626    
H          2.074208917         1.812079143       -0.9441133142    
    18
Energy=    -6256.54044041969    
O         -1.095783929         1.468128872       -0.8657115147    
O          2.757898181        -1.372594060        0.2855770373    
O          1.684593523        0.9101269733       -0.9855938440    
O         -2.771923993       -0.4720190896        0.3246350396    
O          1.186019407        -2.769762227         2.167913807    
O         -1.624092722        -2.454566885         1.978582128    
H          1.711902130        -2.603728151         2.966446504    
H          3.135303683        -1.809726606       -0.4937317354    
H          2.366116835       -0.5008953837       -0.1350755160    
H         0.6592678896         1.105523215       -0.9427862156    
H         -1.706167411        0.7230159167       -0.4623656799    
H         -1.481692477         2.273280057       -0.4804437727    
H         -2.342014200        -1.167246749        0.9743102354    
H         -3.362103572        -1.033161458       -0.2036421344    
H          1.748837587        -2.283336125         1.433995815    
H        -0.5866404738        -2.564637766         2.044727577    
H         -1.933401009        -2.787046430         2.837059878    
H          2.072912534         1.801142453        -1.012573211    
    18
Energy=    -6256.54733538298    
O         -1.094150343         1.464053532       -0.8664093604    
O          2.756426258        -1.374773205        0.2798117572    
O          1.689376843        0.9144053702       -0.9833981468    
O         -2.773431513       -0.4692465480        0.3303047866    
O          1.186143589        -2.770637582         2.165507854    
O         -1.625658192        -2.453517374         1.982702044    
H          1.712407248        -2.602303088         2.962582772    
H          3.135280166        -1.812108227       -0.4986940728    
H          2.366742334       -0.5010172492       -0.1393582612    
H         0.6634936523         1.105727235       -0.9438418572    
H         -1.704570290        0.7219821408       -0.4578927981    
H         -1.493269287         2.271401079       -0.5075949671    
H         -2.344148567        -1.164108093        0.9806458209    
H         -3.357217530        -1.032536920       -0.2018905360    
H          1.748570148        -2.285510493         1.431118444    
H        -0.5878332140        -2.563761244         2.045248976    
H         -1.933272456        -2.789901123         2.839775270    
H          2.074143139         1.804348347       -0.9872933267    
    18
Energy=    -6256.55069789358    
O         -1.094840221         1.466735723       -0.8639099889    
O          2.757373196        -1.373461890        0.2827411387    
O          1.687334854        0.9121639781       -0.9850384240    
O         -2.773390479       -0.4706463243        0.3273903555    
O          1.185903996        -2.770252768         2.166878005    
O         -1.625172250        -2.454556068         1.980428832    
H          1.712547173        -2.602780406         2.964479939    
H          3.135374840        -1.811245108       -0.4959697485    
H          2.366739099       -0.5005063596       -0.1370474466    
H         0.6618448072         1.105391251       -0.9435452860    
H         -1.705295855        0.7230914716       -0.4581287240    
H         -1.488757500         2.272333243       -0.4946317573    
H         -2.343827999        -1.165792725        0.9774300830    
H         -3.358583127        -1.033167151       -0.2037334117    
H          1.748792242        -2.284608854         1.433239599    
H        -0.5874609626        -2.564200642         2.044288243    
H         -1.933443434        -2.788187309         2.838218126    
H          2.073893601         1.802186496        -1.001765135    
    18
Energy=    -6256.55146865948    
O         -1.095113636         1.467704101       -0.8629024313    
O          2.757738471        -1.372962155        0.2837788711    
O          1.686695018        0.9114551985       -0.9856254445    
O         -2.773418646       -0.4711166396        0.3264122788    
O          1.185862284        -2.770092852         2.167454230    
O         -1.625086996        -2.454932013         1.979572544    
H          1.712616652        -2.602930548         2.965108521    
H          3.135400172        -1.810973194       -0.4949718123    
H          2.366810941       -0.5002897399       -0.1362574822    
H         0.6613225155         1.105262210       -0.9435345416    
H         -1.705521202        0.7235663247       -0.4579848606    
H         -1.487334192         2.272650301       -0.4900864692    
H         -2.343782277        -1.166346621        0.9762951644    
H         -3.358992001        -1.033460967       -0.2045156561    
H          1.748896697        -2.284370190         1.434024387    
H        -0.5873853290        -2.564384070         2.043860551    
H         -1.933504556        -2.787582970         2.837695504    
H          2.073828068         1.801300379        -1.006998954    
    18
Energy=    -6256.55247546946    
O         -1.097609430         1.477222088       -0.8519482084    
O          2.761465260        -1.367962534        0.2937382658    
O          1.680603604        0.9047535636       -0.9917309424    
O         -2.773990155       -0.4754964497        0.3169843756    
O          1.185534692        -2.768658618         2.173135672    
O         -1.624571830        -2.458874029         1.971147141    
H          1.713491515        -2.604220036         2.971170968    
H          3.135715177        -1.808655286       -0.4851732104    
H          2.367747932       -0.4980230999       -0.1286543502    
H         0.6564667515         1.104310236       -0.9434047770    
H         -1.707681297        0.7282961695       -0.4555719621    
H         -1.474318969         2.275637514       -0.4467051108    
H         -2.343794238        -1.171535653        0.9653704371    
H         -3.362234097        -1.036491554       -0.2126307979    
H          1.750050597        -2.282174046         1.441957933    
H        -0.5869855308        -2.566164911         2.039286961    
H         -1.934166618        -2.781685757         2.832686442    
H          2.073308620         1.792218959        -1.058334438    
    18
Energy=    -6256.55617079690    
O         -1.096366419         1.472198433       -0.8572807733    
O          2.759955086        -1.370518403        0.2883891287    
O          1.683712766        0.9086701106       -0.9893761009    
O         -2.773923867       -0.4728056950        0.3220359357    
O          1.185646822        -2.769720357         2.170167652    
O         -1.625072527        -2.457206558         1.975524840    
H          1.713330240        -2.603283177         2.967952464    
H          3.135722952        -1.810407897       -0.4902742643    
H          2.367529232       -0.4991513428       -0.1324163805    
H         0.6590498827         1.105456805       -0.9433355646    
H         -1.706542994        0.7256823753       -0.4564950890    
H         -1.481707863         2.273939796       -0.4695132486    
H         -2.344305258        -1.168409400        0.9711268242    
H         -3.359855927        -1.035039972       -0.2086507316    
H          1.749628627        -2.283458527         1.438297758    
H        -0.5875731447        -2.565243084         2.041252022    
H         -1.933927755        -2.784841411         2.835524047    
H          2.073732133         1.796634862        -1.031604121    
    18
Energy=    -6256.55786409919    
O         -1.096464278         1.473589205       -0.8546758596    
O          2.760419750        -1.369600798        0.2896025810    
O          1.682945139        0.9076315621       -0.9902940640    
O         -2.774083454       -0.4733157676        0.3207809886    
O          1.185847070        -2.769623488         2.171004395    
O         -1.625320228        -2.457929386         1.974232618    
H          1.713479952        -2.603386059         2.968742591    
H          3.135826515        -1.810304888       -0.4887600577    
H          2.367725445       -0.4985866787       -0.1317139716    
H         0.6584825361         1.105355046       -0.9431228085    
H         -1.706886988        0.7264234815       -0.4554237499    
H         -1.480452930         2.274314881       -0.4642187119    
H         -2.344621926        -1.169058410        0.9697493370    
H         -3.359754096        -1.035572304       -0.2101997975    
H          1.750021851        -2.283112209         1.439635339    
H        -0.5877971828        -2.565403035         2.040280020    
H         -1.934146129        -2.784008185         2.834888221    
H          2.073810937         1.795083591        -1.039182672    
    18
Energy=    -6256.56357625320    
O         -1.097852743         1.482546052       -0.8401343446    
O          2.764038966        -1.363824691        0.2982311848    
O          1.677607774        0.9016639909       -0.9975684935    
O         -2.775269461       -0.4765406448        0.3125628532    
O          1.187126227        -2.768990914         2.176481035    
O         -1.626727248        -2.462762177         1.965689131    
H          1.714476717        -2.604078406         2.974461554    
H          3.136537024        -1.809560070       -0.4787205109    
H          2.369410655       -0.4956460394       -0.1263861805    
H         0.6546707036         1.105589375       -0.9414625062    
H         -1.709227625        0.7310280757       -0.4503727539    
H         -1.471201238         2.276763105       -0.4260273862    
H         -2.346463381        -1.173077120        0.9605520483    
H         -3.359595976        -1.038922808       -0.2200143513    
H          1.752475986        -2.280809308         1.448237386    
H        -0.5894125591        -2.566831069         2.034257826    
H         -1.935350207        -2.778567578         2.830644732    
H          2.073788367         1.784516784        -1.089106825    
    18
Energy=    -6256.56918006699    
O         -1.097552782         1.483296997       -0.8375555120    
O          2.763922343        -1.363098616        0.2987382566    
O          1.677754273        0.9009746882       -0.9988581331    
O         -2.775831132       -0.4767948164        0.3127108082    
O          1.188226969        -2.769124213         2.176624221    
O         -1.627538047        -2.463572690         1.964930327    
H          1.714146518        -2.604119227         2.975284136    
H          3.136730524        -1.809765421       -0.4775381617    
H          2.369869288       -0.4953289833       -0.1275915670    
H         0.6552513961         1.105806333       -0.9398794932    
H         -1.709650137        0.7314825226       -0.4497573949    
H         -1.471875477         2.276865359       -0.4242862861    
H         -2.347363145        -1.173263661        0.9610515661    
H         -3.357999586        -1.039021265       -0.2218279897    
H          1.753356747        -2.279832895         1.448668819    
H        -0.5904609421        -2.566891828         2.033588548    
H         -1.935648276        -2.778133984         2.830079634    
H          2.073693450         1.783018258        -1.093057381    
    18
Energy=    -6256.57638663342    
O         -1.097795761         1.489243090       -0.8264257815    
O          2.765407330        -1.359031955        0.3040907919    
O          1.675537818        0.8968012561        -1.005298863    
O         -2.777527695       -0.4788019493        0.3094461978    
O          1.190899870        -2.768676720         2.179271057    
O         -1.629282112        -2.467317681         1.958817521    
H          1.713566128        -2.604776858         2.980133422    
H          3.137361509        -1.809295897       -0.4700307500    
H          2.371681106       -0.4940090038       -0.1273534758    
H         0.6547839858         1.106336059       -0.9355098860    
H         -1.711686608        0.7345960145       -0.4474830998    
H         -1.468160261         2.278382416       -0.4007730059    
H         -2.349791211        -1.175952081        0.9579761478    
H         -3.355231290        -1.040803133       -0.2304409521    
H          1.756080059        -2.276271513         1.453141352    
H        -0.5929508399        -2.568065282         2.030090938    
H         -1.936851332        -2.774685542         2.826911306    
H          2.072991287         1.774825334        -1.125238522    
    18
Energy=    -6256.57902195467    
O         -1.097748440         1.493478771       -0.8188281100    
O          2.767144195        -1.355976267        0.3083300596    
O          1.673683856        0.8940409498        -1.009735166    
O         -2.779909967       -0.4803100184        0.3075787781    
O          1.190718523        -2.766479499         2.180905413    
O         -1.629606188        -2.470016692         1.955598444    
H          1.712689735        -2.605396319         2.983100059    
H          3.138300584        -1.809517162       -0.4652486489    
H          2.372638691       -0.4934825493       -0.1273630866    
H         0.6547702651         1.107102562       -0.9334895392    
H         -1.712186122        0.7370401704       -0.4444554137    
H         -1.466126910         2.279036750       -0.3846270617    
H         -2.351518793        -1.177484263        0.9556765993    
H         -3.352336638        -1.041928210       -0.2369572741    
H          1.757531742        -2.274283076         1.456229525    
H        -0.5933368294        -2.570252056         2.028004751    
H         -1.937870723        -2.772283491         2.824003162    
H          2.072195001         1.769206958        -1.147398092    
    18
Energy=    -6256.58187995291    
O         -1.097432704         1.493256622       -0.8183058012    
O          2.767331083        -1.355925376        0.3078603321    
O          1.674080585        0.8941759716        -1.010135623    
O         -2.780391047       -0.4799713971        0.3088003843    
O          1.190134570        -2.765565515         2.180445676    
O         -1.629212383        -2.470102849         1.955539034    
H          1.711891848        -2.605563836         2.983120244    
H          3.138581125        -1.809726166       -0.4648882909    
H          2.372546984       -0.4938925150       -0.1285449431    
H         0.6553232091         1.107433613       -0.9328428550    
H         -1.711807693        0.7370350214       -0.4443940554    
H         -1.467068009         2.278916953       -0.3855142318    
H         -2.352006173        -1.177294975        0.9566387843    
H         -3.351091076        -1.041888466       -0.2380438267    
H          1.757705627        -2.273592960         1.455783548    
H        -0.5929470878        -2.570999240         2.028495000    
H         -1.938334719        -2.772555403         2.824016309    
H          2.071727844         1.768757074        -1.146705288    
    18
Energy=    -6256.58368244509    
O         -1.097449163         1.498327245       -0.8082388776    
O          2.769519123        -1.352451885        0.3122572023    
O          1.671663054        0.8903742661        -1.014209431    
O         -2.781861366       -0.4817857914        0.3058050010    
O          1.189486362        -2.763033449         2.182878441    
O         -1.628950336        -2.472835574         1.950413315    
H          1.710741164        -2.606554591         2.986605563    
H          3.139409347        -1.809131981       -0.4581972869    
H          2.372970487       -0.4928293411       -0.1276329888    
H         0.6537631309         1.107454814       -0.9310514415    
H         -1.712355335        0.7398526426       -0.4408474947    
H         -1.462691898         2.280453861       -0.3645695472    
H         -2.353460238        -1.179802898        0.9526613397    
H         -3.349184784        -1.043695684       -0.2457998974    
H          1.759176512        -2.270745669         1.459670438    
H        -0.5926545175        -2.573269184         2.026207002    
H         -1.939807217        -2.769647403         2.821101663    
H          2.070717659         1.761817177        -1.175728602    
    18
Energy=    -6256.58565133350    
O         -1.097005451         1.496375413       -0.8111811236    
O          2.769053728        -1.353451864        0.3104011866    
O          1.672370655        0.8917331775        -1.012414621    
O         -2.781680573       -0.4809659632        0.3071807284    
O          1.188595355        -2.762656541         2.181720777    
O         -1.628456767        -2.471852060         1.952444881    
H          1.710404366        -2.606441162         2.985127545    
H          3.139532660        -1.809606164       -0.4604045441    
H          2.372356497       -0.4934165623       -0.1284573470    
H         0.6540583112         1.107553960       -0.9319497442    
H         -1.711574354        0.7386242233       -0.4412190411    
H         -1.464291975         2.279965125       -0.3724068455    
H         -2.352930881        -1.178842693        0.9541369315    
H         -3.349054636        -1.043009991       -0.2436440403    
H          1.758406878        -2.271386919         1.458180283    
H        -0.5917943259        -2.573233525         2.027479385    
H         -1.939650501        -2.770847322         2.821911636    
H          2.070692995         1.763955423        -1.165581648    
    18
Energy=    -6256.58659105838    
O         -1.096721002         1.496881148       -0.8095087928    
O          2.769427790        -1.352738665        0.3109567600    
O          1.671749937        0.8912781561        -1.012835605    
O         -2.781915688       -0.4811156291        0.3067260729    
O          1.188199446        -2.761834600         2.181872514    
O         -1.628342198        -2.472301740         1.951956443    
H          1.709858052        -2.606667580         2.985562560    
H          3.140007336        -1.809842072       -0.4595068613    
H          2.372196645       -0.4932869998       -0.1286307108    
H         0.6535142064         1.107708784       -0.9316947897    
H         -1.711395455        0.7387583248       -0.4401245222    
H         -1.463540694         2.280184496       -0.3696258760    
H         -2.353084169        -1.179054899        0.9534812686    
H         -3.348252465        -1.043198981       -0.2448648513    
H          1.758508276        -2.270664942         1.458710665    
H        -0.5915750940        -2.573759699         2.027308763    
H         -1.939966739        -2.770549026         2.821296471    
H          2.070363798         1.762700480        -1.169755110    
    18
Energy=    -6256.58848973805    
O         -1.095927240         1.498289427       -0.8045566789    
O          2.770178027        -1.350893496        0.3123368688    
O          1.670046518        0.8898512373        -1.013938047    
O         -2.782216126       -0.4815914025        0.3053398125    
O          1.187604353        -2.759968836         2.182241376    
O         -1.628251002        -2.473518467         1.950196930    
H          1.708313330        -2.607291306         2.986995657    
H          3.141285871        -1.810239321       -0.4567914665    
H          2.371846752       -0.4927961896       -0.1291063516    
H         0.6519765087         1.107746138       -0.9306889749    
H         -1.711048447        0.7392962158       -0.4369339947    
H         -1.461282027         2.280885628       -0.3618094838    
H         -2.353465312        -1.179917748        0.9516392410    
H         -3.346076715        -1.043800187       -0.2482957963    
H          1.758756666        -2.268139640         1.460065487    
H        -0.5913551539        -2.574762298         2.026860223    
H         -1.940788051        -2.769729547         2.819629339    
H          2.069434031         1.759076348        -1.181859742    
    18
Energy=    -6256.59051782798    
O         -1.095343037         1.499424174       -0.7999019050    
O          2.770729106        -1.349619192        0.3136243418    
O          1.668522950        0.8884425282        -1.015107333    
O         -2.782102456       -0.4820856445        0.3042704838    
O          1.187181360        -2.758502750         2.182440865    
O         -1.628338855        -2.474757953         1.948356033    
H          1.706643646        -2.607773166         2.988328651    
H          3.142782553        -1.810505993       -0.4544007284    
H          2.371862500       -0.4923843047       -0.1293504776    
H         0.6506008214         1.107630077       -0.9297618062    
H         -1.710671119        0.7399890175       -0.4333158741    
H         -1.459153394         2.281517114       -0.3545807846    
H         -2.353825636        -1.180835392        0.9499645332    
H         -3.343615963        -1.044437266       -0.2516613892    
H          1.758536348        -2.264872876         1.461099926    
H        -0.5915213226        -2.575103723         2.026599608    
H         -1.941478102        -2.769176761         2.817950753    
H          2.068222584         1.755548669        -1.193230498    
    18
Energy=    -6256.59092844881    
O         -1.095252970         1.499750197       -0.7989540765    
O          2.770838063        -1.349365272        0.3138817375    
O          1.668244164        0.8881428210        -1.015419017    
O         -2.782155702       -0.4821685668        0.3040219982    
O          1.187137275        -2.758212738         2.182471924    
O         -1.628416631        -2.475019823         1.947907760    
H          1.706361356        -2.607841350         2.988597036    
H          3.143040465        -1.810497319       -0.4538683729    
H          2.371958011       -0.4923505737       -0.1293162882    
H         0.6504181481         1.107572613       -0.9295817064    
H         -1.710647141        0.7401643232       -0.4325923696    
H         -1.458769233         2.281652554       -0.3530185967    
H         -2.353878670        -1.181101952        0.9497074214    
H         -3.343128479        -1.044580452       -0.2523934831    
H          1.758472586        -2.264273465         1.461379724    
H        -0.5915503245        -2.575143866         2.026498358    
H         -1.941622453        -2.769062648         2.817649337    
H          2.067983518         1.754832075        -1.195646988    
    18
Energy=    -6256.59293073148    
O         -1.094913921         1.501388559       -0.7932038450    
O          2.771432143        -1.348420955        0.3154116376    
O          1.666800858        0.8863117139        -1.017362958    
O         -2.782114674       -0.4827923895        0.3030808947    
O          1.186713839        -2.756612312         2.182520229    
O         -1.629022924        -2.476642419         1.945278128    
H          1.704440405        -2.608074671         2.990001067    
H          3.144926168        -1.810403998       -0.4510204657    
H          2.372859558       -0.4921584094       -0.1291550688    
H         0.6495094250         1.107139401       -0.9286124179    
H         -1.710325451        0.7412897446       -0.4274795915    
H         -1.456749254         2.282446166       -0.3445451417    
H         -2.354217326        -1.182607883        0.9484009168    
H         -3.339546223        -1.045444982       -0.2569686388    
H          1.757676212        -2.259913958         1.462686306    
H        -0.5921393937        -2.574812510         2.025981535    
H         -1.942457892        -2.768732371         2.815745682    
H          2.066160433         1.750537828        -1.209433870    
    18
Energy=    -6256.59410874269    
O         -1.095007792         1.502460526       -0.7901842317    
O          2.772057763        -1.347893065        0.3165735346    
O          1.666137924        0.8851855173        -1.018723202    
O         -2.782098537       -0.4833839781        0.3026723309    
O          1.186050617        -2.755565151         2.182840165    
O         -1.629579043        -2.477503805         1.944013856    
H          1.703793284        -2.607904043         2.990464866    
H          3.145827499        -1.810164795       -0.4494923103    
H          2.373648008       -0.4920713640       -0.1287893647    
H         0.6492479868         1.106973877       -0.9282922513    
H         -1.710418645        0.7419937158       -0.4251732067    
H         -1.455544426         2.282918316       -0.3392992980    
H         -2.354228268        -1.183466583        0.9478742329    
H         -3.337640195        -1.045862502       -0.2595181369    
H          1.757393804        -2.258312173         1.463689801    
H        -0.5926103185        -2.574477426         2.025073020    
H         -1.943012823        -2.768706581         2.814792797    
H          2.065015144         1.748276070        -1.217198202    
    18
Energy=    -6256.59676538185    
O         -1.095058045         1.504221662       -0.7841237145    
O          2.773814088        -1.347179916        0.3188151511    
O          1.665018474        0.8828790314        -1.021655055    
O         -2.781350175       -0.4845046718        0.3026896954    
O          1.183614568        -2.752379188         2.183307698    
O         -1.631693532        -2.478876429         1.941789455    
H          1.702442615        -2.606742702         2.990651870    
H          3.148224485        -1.809390599       -0.4470321972    
H          2.375775007       -0.4921347720       -0.1278562719    
H         0.6488900885         1.106028039       -0.9277938434    
H         -1.710868423        0.7433445986       -0.4200146516    
H         -1.453097532         2.283862743       -0.3301527171    
H         -2.353766766        -1.185591892        0.9477839489    
H         -3.332200476        -1.046571302       -0.2646481481    
H          1.756164543        -2.255425682         1.464919690    
H        -0.5942828160        -2.572840271         2.022804394    
H         -1.944328422        -2.770088837         2.813176794    
H          2.061734301         1.743886744        -1.231337699    
    18
Energy=    -6256.59795403717    
O         -1.094900577         1.506461144       -0.7776944968    
O          2.775822175        -1.345425416        0.3210807814    
O          1.663548367        0.8803872278        -1.024596751    
O         -2.780948612       -0.4856094226        0.3020607774    
O          1.181797002        -2.748841549         2.184024521    
O         -1.633338613        -2.480423310         1.939697140    
H          1.701219109        -2.605833667         2.991532464    
H          3.150204983        -1.808717688       -0.4437197232    
H          2.377084265       -0.4917728469       -0.1271728087    
H         0.6481588319         1.104881644       -0.9266244997    
H         -1.711284822        0.7448824454       -0.4161014662    
H         -1.450104154         2.284878191       -0.3191820225    
H         -2.353938083        -1.187497517        0.9468301520    
H         -3.327473456        -1.047401987       -0.2696137300    
H          1.755764606        -2.253487393         1.466324262    
H        -0.5961406711        -2.572319518         2.020622182    
H         -1.945566134        -2.770918833         2.811265394    
H          2.059127768         1.739255050        -1.247407778    
    18
Energy=    -6256.59897236476    
O         -1.094610621         1.505933995       -0.7780996367    
O          2.776331835        -1.345477137        0.3207572305    
O          1.663613108        0.8803293027        -1.024491489    
O         -2.780221320       -0.4854065358        0.3026857100    
O          1.180747447        -2.747698020         2.183786496    
O         -1.634251460        -2.480115870         1.940303682    
H          1.701058544        -2.604999268         2.990827831    
H          3.150819391        -1.808520607       -0.4442994085    
H          2.377218899       -0.4918409547       -0.1272181836    
H         0.6481233484         1.104188856       -0.9265916968    
H         -1.711400108        0.7447478961       -0.4162143599    
H         -1.449750140         2.284804912       -0.3204532579    
H         -2.353608035        -1.187624933        0.9476434751    
H         -3.326038078        -1.047205026       -0.2692232628    
H          1.755380251        -2.253896493         1.465372600    
H        -0.5967854675        -2.571687323         2.020489196    
H         -1.945797268        -2.772477459         2.811586595    
H          2.058201656         1.739441219        -1.245537122    
    18
Energy=    -6256.59955211315    
O         -1.093967787         1.506721851       -0.7757121693    
O          2.777341746        -1.344406339        0.3216200472    
O          1.662857318        0.8793109425        -1.025453113    
O         -2.779970676       -0.4854161614        0.3024336445    
O          1.179817871        -2.745938274         2.184035876    
O         -1.635190270        -2.480727061         1.939570104    
H          1.700355169        -2.604457629         2.991222636    
H          3.151883645        -1.808465277       -0.4432147126    
H          2.377340016       -0.4915837618       -0.1273339163    
H         0.6475119119         1.103685541       -0.9258375714    
H         -1.711573412        0.7452580441       -0.4152037856    
H         -1.448304428         2.284981435       -0.3163922831    
H         -2.353915372        -1.188206725        0.9473993070    
H         -3.323811676        -1.047525949       -0.2709361668    
H          1.755435870        -2.253149078         1.465276821    
H        -0.5974093554        -2.571853522         2.020074663    
H         -1.946407927        -2.773321256         2.811092752    
H          2.057039341         1.737589777        -1.251317734    
    18
Energy=    -6256.60000850070    
O         -1.093606873         1.506525628       -0.7759730066    
O          2.777595592        -1.344239910        0.3212982032    
O          1.662680736        0.8792285659        -1.025246563    
O         -2.779636233       -0.4851356435        0.3025460192    
O          1.179639336        -2.745307272         2.183727074    
O         -1.635460815        -2.480795702         1.939944286    
H          1.700014470        -2.604057911         2.991032075    
H          3.152265242        -1.808396019       -0.4433115881    
H          2.377148341       -0.4915620721       -0.1275350247    
H         0.6471599836         1.103258249       -0.9255981117    
H         -1.711414443        0.7451464774       -0.4154777539    
H         -1.447825148         2.284883779       -0.3166671379    
H         -2.353967247        -1.188008355        0.9476157644    
H         -3.323215264        -1.047507750       -0.2707208252    
H          1.755305286        -2.253067471         1.464731762    
H        -0.5978032249        -2.571859048         2.020440759    
H         -1.946537433        -2.774156266         2.811185432    
H          2.056689678         1.737547279        -1.250666965    
    18
Energy=    -6256.60086210375    
O         -1.093161283         1.506708552       -0.7757410882    
O          2.778210466        -1.343827970        0.3211896385    
O          1.662205551        0.8786514179        -1.025260308    
O         -2.779248694       -0.4848206424        0.3024879558    
O          1.179288162        -2.744197714         2.183284233    
O         -1.636154683        -2.481408434         1.940216968    
H          1.699310637        -2.603135217         2.990840399    
H          3.153160939        -1.808098483       -0.4430432059    
H          2.377159888       -0.4914636565       -0.1277245746    
H         0.6465643310         1.102401970       -0.9252012611    
H         -1.711015643        0.7452731247       -0.4154820432    
H         -1.446608637         2.284827496       -0.3152334410    
H         -2.354220209        -1.187679537        0.9478559164    
H         -3.321872772        -1.047675342       -0.2711397380    
H          1.755104201        -2.252320502         1.464152481    
H        -0.5985948177        -2.571887114         2.020952932    
H         -1.946967371        -2.775672081         2.811158960    
H          2.055871917         1.736820690        -1.251989425    
    18
Energy=    -6256.60261707086    
O         -1.092372619         1.507321471       -0.7755079210    
O          2.779689324        -1.343204904        0.3211914366    
O          1.661402163        0.8771802695        -1.025406333    
O         -2.778569788       -0.4841532379        0.3025645821    
O          1.178392914        -2.741931313         2.182265442    
O         -1.637899020        -2.483033771         1.941067655    
H          1.697946506        -2.600484474         2.989958300    
H          3.155239113        -1.807216220       -0.4428016468    
H          2.377755245       -0.4913851440       -0.1279238202    
H         0.6455757264         1.100721372       -0.9247565708    
H         -1.710091303        0.7456450407       -0.4155546210    
H         -1.444105220         2.284631548       -0.3122008215    
H         -2.354873695        -1.186596878        0.9488554609    
H         -3.318914333        -1.048131874       -0.2722931237    
H          1.754552149        -2.250698461         1.463044086    
H        -0.6004968589        -2.571875253         2.021927759    
H         -1.948147604        -2.779567305         2.811397617    
H          2.053949285         1.735275690        -1.254503082    
    18
Energy=    -6256.60427460293    
O         -1.091815816         1.508466733       -0.7749352256    
O          2.781766273        -1.342475344        0.3215506437    
O          1.660319916        0.8750834451        -1.026125206    
O         -2.778179309       -0.4838228568        0.3023898312    
O          1.176997003        -2.739227041         2.181189281    
O         -1.640524486        -2.485026064         1.942328250    
H          1.696380534        -2.596474476         2.988740069    
H          3.157994340        -1.805795612       -0.4422111718    
H          2.378979179       -0.4911352636       -0.1280827961    
H         0.6446134320         1.098544762       -0.9244149303    
H         -1.708869490        0.7466251412       -0.4151699199    
H         -1.440728835         2.284470236       -0.3070735817    
H         -2.355699298        -1.185303882        0.9501629224    
H         -3.315160631        -1.048709349       -0.2742618119    
H          1.754199672        -2.248456679         1.462099575    
H        -0.6029328314        -2.572188809         2.022558980    
H         -1.950095665        -2.784934376         2.811706998    
H          2.051787994         1.732855992        -1.259127510    
    18
Energy=    -6256.60537785873    
O         -1.091793641         1.509223682       -0.7750121480    
O          2.782872338        -1.342371973        0.3219210134    
O          1.660153095        0.8739069632        -1.026635409    
O         -2.778027112       -0.4834962070        0.3026841654    
O          1.176411599        -2.738032522         2.180510158    
O         -1.641836444        -2.486087932         1.943322787    
H          1.695692551        -2.593784103         2.987729213    
H          3.159567304        -1.804997495       -0.4424772315    
H          2.380196431       -0.4912551992       -0.1277425451    
H         0.6445170635         1.097988945       -0.9249044694    
H         -1.708419775        0.7469980695       -0.4152983836    
H         -1.439226715         2.284357138       -0.3048954058    
H         -2.356433719        -1.184427539        0.9512719383    
H         -3.313457323        -1.049121473       -0.2753370921    
H          1.753661267        -2.247436947         1.461667981    
H        -0.6043080458        -2.572429477         2.022895444    
H         -1.951277873        -2.788293061         2.812160307    
H          2.050740984         1.731755688        -1.260535923    
    18
Energy=    -6256.60586100034    
O         -1.092120719         1.509466266       -0.7751795481    
O          2.783002220        -1.342567944        0.3221483784    
O          1.660274953        0.8738210980        -1.026911404    
O         -2.778250240       -0.4837127500        0.3026536353    
O          1.176392194        -2.738245960         2.180558504    
O         -1.641955901        -2.485955616         1.943622702    
H          1.695789703        -2.593167893         2.987551840    
H          3.159680362        -1.804808298       -0.4426024488    
H          2.380597885       -0.4912626697       -0.1274836962    
H         0.6447465457         1.098239062       -0.9253905493    
H         -1.708539212        0.7471994159       -0.4152938048    
H         -1.439116716         2.284338232       -0.3044747775    
H         -2.356542668        -1.184432957        0.9513920708    
H         -3.313750175        -1.049143269       -0.2754528792    
H          1.753648469        -2.247449301         1.461853598    
H        -0.6043365985        -2.572665523         2.022712033    
H         -1.951542380        -2.788803827         2.812269759    
H          2.051054261         1.731648490        -1.260649014    
    18
Energy=    -6256.60642598041    
O         -1.092581056         1.509753761       -0.7752100905    
O          2.783149882        -1.342641706        0.3223823790    
O          1.660353339        0.8737468934        -1.027331670    
O         -2.778457191       -0.4840516747        0.3025777909    
O          1.176400599        -2.738411319         2.180617933    
O         -1.642031227        -2.485548568         1.944021607    
H          1.695690445        -2.592356258         2.987523703    
H          3.159937287        -1.804625735       -0.4425943714    
H          2.380976220       -0.4912382207       -0.1272224253    
H         0.6449824439         1.098598659       -0.9260158281    
H         -1.708852662        0.7474877475       -0.4152501388    
H         -1.438703991         2.284351201       -0.3035485870    
H         -2.356690241        -1.184757188        0.9513687259    
H         -3.314202079        -1.049142464       -0.2756115557    
H          1.753646685        -2.247393352         1.462019382    
H        -0.6043194589        -2.573059350         2.022557780    
H         -1.951932727        -2.789535734         2.812229337    
H          2.051665717         1.731319863        -1.261189573    
    18
Energy=    -6256.60729214819    
O         -1.093034235         1.510214161       -0.7750576929    
O          2.783662860        -1.342450724        0.3225924966    
O          1.660214729        0.8733939209        -1.028060251    
O         -2.778507237       -0.4844972975        0.3024216828    
O          1.176341156        -2.738116385         2.180414087    
O         -1.642400908        -2.485044519         1.944869684    
H          1.694867414        -2.590449286         2.987500574    
H          3.160924940        -1.804231222       -0.4423319812    
H          2.381404758       -0.4911068030       -0.1271670533    
H         0.6449948197         1.098927857       -0.9268061342    
H         -1.709382508        0.7479545348       -0.4151754367    
H         -1.437189744         2.284312114       -0.3013019939    
H         -2.357026166        -1.185344962        0.9513666826    
H         -3.314401624        -1.049159043       -0.2759827401    
H          1.753581840        -2.246902888         1.461909439    
H        -0.6046841302        -2.573586971         2.022756387    
H         -1.952861282        -2.791711752         2.812038765    
H          2.052527301         1.730295821        -1.262662117    
    18
Energy=    -6256.60865765265    
O         -1.093692911         1.510998575       -0.7742842855    
O          2.784775507        -1.341484886        0.3228253876    
O          1.659676771        0.8724369264        -1.029514688    
O         -2.778354740       -0.4851909804        0.3021680449    
O          1.175918586        -2.736894679         2.179750851    
O         -1.643386708        -2.484723771         1.946344330    
H          1.692535063        -2.586369744         2.987538905    
H          3.163357226        -1.803424457       -0.4414408203    
H          2.381980743       -0.4909355105       -0.1275558471    
H         0.6448694976         1.099199081       -0.9279280618    
H         -1.710155485        0.7487986408       -0.4148775081    
H         -1.433557414         2.284234975       -0.2961221730    
H         -2.357713844        -1.186415845        0.9512902013    
H         -3.314093451        -1.049278744       -0.2769057723    
H          1.753450776        -2.245773585         1.461370616    
H        -0.6055941731        -2.573861246         2.023752142    
H         -1.954773034        -2.796676593         2.811384728    
H          2.053789574         1.727858399        -1.266471652    
    18
Energy=    -6256.60979947377    
O         -1.093628568         1.512011237       -0.7728042193    
O          2.786360386        -1.340157773        0.3230696223    
O          1.658953274        0.8710523055        -1.031545198    
O         -2.778053683       -0.4859071523        0.3017576556    
O          1.175200172        -2.734913384         2.178821719    
O         -1.644644096        -2.484903487         1.947981718    
H          1.688888271        -2.580913606         2.987621940    
H          3.166760273        -1.802363767       -0.4398268314    
H          2.382247250       -0.4905761584       -0.1288945039    
H         0.6441994023         1.099519935       -0.9288722084    
H         -1.711124057        0.7498809564       -0.4140176721    
H         -1.428680580         2.283734430       -0.2891725641    
H         -2.358495633        -1.187709845        0.9512013770    
H         -3.313229823        -1.049528189       -0.2782046111    
H          1.753352221        -2.244312298         1.460554207    
H        -0.6069990494        -2.573377881         2.025393593    
H         -1.957202041        -2.803492652         2.810249161    
H          2.055128267         1.724453888        -1.271988788    
    18
Energy=    -6256.61054271148    
O         -1.093626107         1.512268263       -0.7720359728    
O          2.786763997        -1.339328621        0.3230360225    
O          1.658581705        0.8704777542        -1.032246152    
O         -2.777843985       -0.4860778793        0.3016916929    
O          1.174762732        -2.733918177         2.178416450    
O         -1.645149277        -2.485340298         1.948315254    
H          1.687228924        -2.578873380         2.987736831    
H          3.168176925        -1.802000451       -0.4390824422    
H          2.382192355       -0.4905878921       -0.1295792035    
H         0.6441665254         1.099323613       -0.9290194622    
H         -1.711136194        0.7501336064       -0.4136974624    
H         -1.426741523         2.283602283       -0.2863812500    
H         -2.358796382        -1.188071079        0.9510772053    
H         -3.312653031        -1.049668202       -0.2786404123    
H          1.753270070        -2.243824520         1.460099471    
H        -0.6074650073        -2.572628309         2.026304645    
H         -1.957972730        -2.806154215         2.809627030    
H          2.055272987         1.723164061        -1.274297847    
    18
Energy=    -6256.61099902745    
O         -1.093345349         1.512522677       -0.7709620181    
O          2.786966325        -1.338691874        0.3231610794    
O          1.658299045        0.8700237827        -1.032980679    
O         -2.777784355       -0.4861121913        0.3015591082    
O          1.174331195        -2.733142441         2.178302711    
O         -1.645438790        -2.486044866         1.948026199    
H          1.686023441        -2.577709885         2.987996476    
H          3.169094064        -1.801815656       -0.4382533525    
H          2.382016193       -0.4906475327       -0.1301952730    
H         0.6440918944         1.099211957       -0.9287960638    
H         -1.710914365        0.7502391701       -0.4131851413    
H         -1.425559540         2.283423403       -0.2840159918    
H         -2.358938467        -1.188207609        0.9508480386    
H         -3.312065544        -1.049876787       -0.2791338802    
H          1.753238827        -2.243571303         1.459962375    
H        -0.6077091080        -2.571664653         2.026866517    
H         -1.958259679        -2.807632099         2.808944878    
H          2.054986195         1.722192461        -1.276820584    
    18
Energy=    -6256.61143369091    
O         -1.093123417         1.512882434       -0.7700400717    
O          2.786957754        -1.338319802        0.3234311435    
O          1.658176765        0.8696695850        -1.033814982    
O         -2.777873523       -0.4862483960        0.3012960934    
O          1.173987260        -2.732696134         2.178425516    
O         -1.645564925        -2.486461744         1.947652383    
H          1.685084223        -2.576469043         2.988311403    
H          3.169844873        -1.801607837       -0.4374839046    
H          2.381913727       -0.4906656463       -0.1305799334    
H         0.6441739216         1.099233954       -0.9288879207    
H         -1.710674117        0.7503343550       -0.4128464293    
H         -1.424553123         2.283158086       -0.2814852625    
H         -2.359064049        -1.188297239        0.9505709797    
H         -3.312023026        -1.050090708       -0.2794260551    
H          1.753183524        -2.243522392         1.460077551    
H        -0.6077721831        -2.570861060         2.027093967    
H         -1.958421146        -2.808965554         2.808251505    
H          2.054779444         1.721423697        -1.279221586    
    18
Energy=    -6256.61266148417    
O         -1.092277185         1.513925878       -0.7671470705    
O          2.786361858        -1.337516534        0.3241323510    
O          1.658152318        0.8688052175        -1.036471149    
O         -2.778333627       -0.4866425568        0.3004225784    
O          1.173114354        -2.731816740         2.179113113    
O         -1.645745970        -2.486932171         1.946730856    
H          1.682396981        -2.572215470         2.989507797    
H          3.172064571        -1.801015067       -0.4352172641    
H          2.381560541       -0.4907476357       -0.1317027868    
H         0.6445661055         1.099401178       -0.9295143982    
H         -1.709784243        0.7506018120       -0.4118854069    
H         -1.421847588         2.281994275       -0.2741762035    
H         -2.359480526        -1.188504919        0.9498065219    
H         -3.312741999        -1.050744953       -0.2799606226    
H          1.752975801        -2.243476190         1.460620119    
H        -0.6077090425        -2.568904543         2.027224361    
H         -1.958713966        -2.813207890         2.805797184    
H          2.054473601         1.719492865        -1.285955582    
    18
Energy=    -6256.61412978901    
O         -1.091074094         1.515915201       -0.7626188111    
O          2.785742538        -1.336368951        0.3256743731    
O          1.657782158        0.8671926820        -1.041051726    
O         -2.778850119       -0.4874464300        0.2986566094    
O          1.171927533        -2.730151248         2.180403651    
O         -1.646191017        -2.487059313         1.945449765    
H          1.678181957        -2.564604076         2.991426578    
H          3.175969019        -1.799756410       -0.4315480529    
H          2.381256366       -0.4907633615       -0.1328743333    
H         0.6450404825         1.099339952       -0.9308594063    
H         -1.708574990        0.7510771914       -0.4108362290    
H         -1.416390509         2.280232390       -0.2603740894    
H         -2.360263031        -1.188870114        0.9484795870    
H         -3.313933797        -1.051729219       -0.2808949987    
H          1.752272774        -2.242901268         1.461695352    
H        -0.6079765245        -2.566813771         2.026839962    
H         -1.959570763        -2.820770899         2.801882633    
H          2.053684001         1.715974200        -1.298126466    
    18
Energy=    -6256.61554301250    
O         -1.089606955         1.516539025       -0.7602283229    
O          2.783617196        -1.336434675        0.3259846061    
O          1.658462041        0.8669430345        -1.043953241    
O         -2.779527903       -0.4877369475        0.2974138508    
O          1.171703864        -2.730321703         2.181814443    
O         -1.645591972        -2.485603131         1.944918911    
H          1.675496995        -2.558481341         2.993090314    
H          3.178151547        -1.799006131       -0.4295872461    
H          2.380271380       -0.4910044645       -0.1341353581    
H         0.6460186075         1.099459243       -0.9324004570    
H         -1.707164449        0.7508294378       -0.4109948967    
H         -1.413733600         2.277987716       -0.2537836093    
H         -2.360646253        -1.188473049        0.9477479642    
H         -3.317269987        -1.052189336       -0.2795778975    
H          1.751637009        -2.243462944         1.462493185    
H        -0.6072621096        -2.565574506         2.026180680    
H         -1.959288416        -2.826350276         2.798580983    
H          2.053764988         1.715376601        -1.302239511    
    18
Energy=    -6256.61668776818    
O         -1.088077071         1.518512242       -0.7547546177    
O          2.783213409        -1.335356294        0.3275573465    
O          1.657984771        0.8650575670        -1.048513826    
O         -2.779898864       -0.4882929116        0.2956092914    
O          1.170732673        -2.728380905         2.183398416    
O         -1.646293893        -2.484947990         1.943886069    
H          1.672003060        -2.551310702         2.995155581    
H          3.181893902        -1.797836642       -0.4259559668    
H          2.380211529       -0.4909888348       -0.1346896419    
H         0.6459976206         1.098875551       -0.9332581712    
H         -1.706208033        0.7517114198       -0.4093215461    
H         -1.408457174         2.276266804       -0.2399093320    
H         -2.361526299        -1.188967771        0.9465368093    
H         -3.317562978        -1.053090772       -0.2813762167    
H          1.750714639        -2.241780597         1.463875689    
H        -0.6078143266        -2.565514545         2.024581858    
H         -1.960281232        -2.833072865         2.794377922    
H          2.052400250         1.711613803        -1.315875265    
    18
Energy=    -6256.61738951117    
O         -1.087659479         1.517885940       -0.7558864449    
O          2.782730841        -1.335812981        0.3268651792    
O          1.658305945        0.8653468700        -1.048289413    
O         -2.779680038       -0.4878585355        0.2956319187    
O          1.171145252        -2.728617387         2.183426917    
O         -1.646159793        -2.483758195         1.944926207    
H          1.671811676        -2.549502206         2.995020762    
H          3.182192460        -1.797588958       -0.4266194775    
H          2.379791749       -0.4911332346       -0.1348083275    
H         0.6461399032         1.098381698       -0.9337170529    
H         -1.706088362        0.7513304544       -0.4104706121    
H         -1.407847398         2.275546992       -0.2410791003    
H         -2.361608964        -1.188325345        0.9468975838    
H         -3.318620196        -1.052748743       -0.2799733904    
H          1.750273719        -2.241780200         1.463443218    
H        -0.6078377503        -2.566440815         2.024633702    
H         -1.960326830        -2.834925887         2.794072935    
H          2.052469249         1.712497090        -1.312750206    
    18
Energy=    -6256.61770091302    
O         -1.087200603         1.518080958       -0.7544424671    
O          2.783074398        -1.335255593        0.3269929622    
O          1.657943052        0.8646450635        -1.048910895    
O         -2.779485443       -0.4877710957        0.2954674993    
O          1.170906463        -2.727581878         2.183398846    
O         -1.646561846        -2.483902194         1.944876193    
H          1.670815263        -2.547905667         2.995300186    
H          3.183233462        -1.797304450       -0.4259325920    
H          2.379707622       -0.4910880990       -0.1352062527    
H         0.6459143337         1.097725311       -0.9334400405    
H         -1.706115244        0.7515054157       -0.4097016501    
H         -1.406253321         2.275386154       -0.2384664023    
H         -2.361831476        -1.188403196        0.9467684989    
H         -3.317585738        -1.052750742       -0.2807946334    
H          1.749995898        -2.240763529         1.463393635    
H        -0.6083432520        -2.566740459         2.024679279    
H         -1.960968115        -2.836694393         2.793213727    
H          2.051786528         1.711314950        -1.315871494    
    18
Energy=    -6256.61804768321    
O         -1.086555179         1.518268494       -0.7525939125    
O          2.783352483        -1.334485409        0.3272047911    
O          1.657632157        0.8637573321        -1.050281533    
O         -2.779416274       -0.4875240485        0.2951543676    
O          1.170565823        -2.726344700         2.183577937    
O         -1.646996385        -2.484249842         1.944595917    
H          1.669208544        -2.544869559         2.995891792    
H          3.184758384        -1.796837757       -0.4248341372    
H          2.379486332       -0.4911540443       -0.1358712520    
H         0.6457864454         1.096983112       -0.9332178489    
H         -1.706081627        0.7516733424       -0.4088113263    
H         -1.403689742         2.274801647       -0.2340697650    
H         -2.362096441        -1.188319463        0.9464216133    
H         -3.316763943        -1.052730623       -0.2816192607    
H          1.749625317        -2.239740809         1.463461563    
H        -0.6088570565        -2.566683595         2.024916207    
H         -1.961778927        -2.839790899         2.791603183    
H          2.050852073         1.709743381        -1.320203938    
    18
Energy=    -6256.61840934084    
O         -1.085841829         1.518431951       -0.7499371494    
O          2.783412264        -1.333739824        0.3276361372    
O          1.657420473        0.8628848970        -1.051763875    
O         -2.779633017       -0.4872988415        0.2948957939    
O          1.170267808        -2.725228111         2.184186886    
O         -1.647140903        -2.484810511         1.943529106    
H          1.667913664        -2.542337472         2.996749635    
H          3.185825457        -1.796520208       -0.4235309828    
H          2.379240994       -0.4912126600       -0.1365474394    
H         0.6458612040         1.096210476       -0.9328290625    
H         -1.706121724        0.7518113504       -0.4072327040    
H         -1.401606769         2.274285542       -0.2296822439    
H         -2.362225808        -1.188278346        0.9458326716    
H         -3.315898259        -1.052610477       -0.2828492776    
H          1.749348067        -2.238855867         1.463978924    
H        -0.6090478950        -2.566497465         2.024812667    
H         -1.962398083        -2.841921482         2.789604606    
H          2.049656338         1.708183605        -1.325529294    
    18
Energy=    -6256.61910098853    
O         -1.084797676         1.518696568       -0.7457776195    
O          2.783340688        -1.332640400        0.3284357805    
O          1.657306858        0.8614173149        -1.054767091    
O         -2.780410871       -0.4869311633        0.2944352492    
O          1.169979723        -2.723633466         2.185535547    
O         -1.647250843        -2.485610145         1.941810090    
H          1.665576605        -2.536380878         2.998395474    
H          3.187764357        -1.795779845       -0.4213864925    
H          2.379008519       -0.4912374525       -0.1375906534    
H         0.6462313883         1.095079154       -0.9329201709    
H         -1.706380363        0.7521746808       -0.4048512448    
H         -1.397322791         2.273018627       -0.2213288130    
H         -2.362631522        -1.188143720        0.9447700063    
H         -3.315432481        -1.052195458       -0.2845724321    
H          1.748959629        -2.237792459         1.464980864    
H        -0.6091878269        -2.566185119         2.024742223    
H         -1.963789608        -2.846876451         2.785736020    
H          2.048068199         1.705516769        -1.334322339    
    18
Energy=    -6256.62018878183    
O         -1.083718621         1.518487500       -0.7408577096    
O          2.782969243        -1.331785681        0.3294381472    
O          1.657354588        0.8599739714        -1.058063308    
O         -2.782115538       -0.4862033027        0.2945454525    
O          1.170362972        -2.722244415         2.188028206    
O         -1.646729486        -2.486879124         1.938725752    
H          1.664123372        -2.529739224         3.000719189    
H          3.188591341        -1.795298659       -0.4194304431    
H          2.379058921       -0.4911029444       -0.1381972829    
H         0.6467507758         1.093693181       -0.9331096741    
H         -1.707142581        0.7525304037       -0.4014500949    
H         -1.392876581         2.271691619       -0.2131199793    
H         -2.363201720        -1.188041641        0.9433388892    
H         -3.315329235        -1.050927450       -0.2867892790    
H          1.748964243        -2.237131297         1.466757708    
H        -0.6087208481        -2.566364388         2.024269634    
H         -1.965418547        -2.851045965         2.780405581    
H          2.046109687         1.702883971        -1.343886390    
    18
Energy=    -6256.62127087713    
O         -1.082454537         1.518543004       -0.7358190377    
O          2.782619703        -1.330929283        0.3305607654    
O          1.657187920        0.8580884628        -1.062005686    
O         -2.784322635       -0.4856208930        0.2948451267    
O          1.170958473        -2.720331605         2.190945901    
O         -1.646198835        -2.488088814         1.935486668    
H          1.661902169        -2.520012726         3.003537458    
H          3.190057776        -1.794553051       -0.4173226001    
H          2.379332667       -0.4907710015       -0.1387261390    
H         0.6470929088         1.092235129       -0.9341632982    
H         -1.707565857        0.7531299883       -0.3980709871    
H         -1.386396567         2.270031238       -0.2026016793    
H         -2.364506914        -1.188319978        0.9420467271    
H         -3.315955703        -1.049323214       -0.2888715678    
H          1.749137772        -2.236515466         1.468579639    
H        -0.6082772299        -2.566449105         2.023806201    
H         -1.967906745        -2.858051202         2.773831720    
H          2.044327617         1.699435073        -1.354734814    
    18
Energy=    -6256.62209774502    
O         -1.082309514         1.517430661       -0.7356567845    
O          2.782124105        -1.331573769        0.3306092438    
O          1.657359406        0.8581403304        -1.062077546    
O         -2.786170352       -0.4848357367        0.2963272956    
O          1.172578791        -2.720594383         2.193129729    
O         -1.644860839        -2.488907780         1.932947681    
H          1.663478725        -2.517536558         3.004929245    
H          3.187784072        -1.795121074       -0.4182940939    
H          2.379695617       -0.4905018424       -0.1378246552    
H         0.6470326901         1.091760439       -0.9346723340    
H         -1.708039184        0.7530142499       -0.3968484584    
H         -1.385329685         2.269867450       -0.2036752310    
H         -2.365279474        -1.188567568        0.9418106005    
H         -3.317362420        -1.047310094       -0.2888952027    
H          1.750128077        -2.237535443         1.469816073    
H        -0.6070564459        -2.567153243         2.023212544    
H         -1.968562473        -2.857773869         2.770721669    
H          2.043820887         1.699694785        -1.354235377    
    18
Energy=    -6256.62264586596    
O         -1.081941109         1.517598108       -0.7348628858    
O          2.782232012        -1.331547941        0.3308887136    
O          1.656946388        0.8575264964        -1.062807700    
O         -2.786923656       -0.4847669657        0.2968474735    
O          1.173003160        -2.719790485         2.194173462    
O         -1.644666298        -2.489292935         1.931767575    
H          1.663026902        -2.514225563         3.005932241    
H          3.187861566        -1.795102918       -0.4180994110    
H          2.379926310       -0.4903536778       -0.1375377738    
H         0.6465719686         1.091437320       -0.9352500185    
H         -1.707722678        0.7532156982       -0.3961591273    
H         -1.382985726         2.269668861       -0.2009615771    
H         -2.366221096        -1.189157408        0.9417885187    
H         -3.317906221        -1.046567475       -0.2891732059    
H          1.750561982        -2.237398619         1.470405110    
H        -0.6068909402        -2.567193123         2.022801642    
H         -1.969358855        -2.860122416         2.768405422    
H          2.043518276         1.698569598        -1.356834061    
    18
Energy=    -6256.62319251109    
O         -1.081862312         1.517280427       -0.7365483221    
O          2.782372160        -1.331985060        0.3304190707    
O          1.656586003        0.8575534679        -1.061768504    
O         -2.787057740       -0.4846061975        0.2977679081    
O          1.173594778        -2.719485770         2.194440766    
O         -1.644395481        -2.489314617         1.931399977    
H          1.663311452        -2.513159040         3.006224501    
H          3.187027252        -1.795468810       -0.4191620707    
H          2.379804999       -0.4904476426       -0.1372052564    
H         0.6458498614         1.091390933       -0.9354838504    
H         -1.707086521        0.7530502699       -0.3967796380    
H         -1.382323362         2.269897207       -0.2029477574    
H         -2.366936583        -1.189674737        0.9424435350    
H         -3.318800832        -1.045804019       -0.2880272937    
H          1.751179917        -2.237610676         1.470345794    
H        -0.6066745728        -2.567078236         2.022646207    
H         -1.969370043        -2.860919450         2.767611271    
H          2.043813008         1.698878504        -1.354051939    
    18
Energy=    -6256.62405710269    
O         -1.081391040         1.517204426       -0.7359888547    
O          2.782918537        -1.332001181        0.3304288848    
O          1.656082287        0.8566252312        -1.062105053    
O         -2.787573976       -0.4840556232        0.2987931047    
O          1.173915121        -2.717724761         2.195754407    
O         -1.644084422        -2.490177979         1.929341106    
H          1.662218122        -2.508844901         3.007793045    
H          3.186711188        -1.795910781       -0.4192974203    
H          2.379394208       -0.4911458069       -0.1375407215    
H         0.6453814307         1.090792709       -0.9353633112    
H         -1.706612958        0.7531476582       -0.3958580684    
H         -1.379868591         2.269575540       -0.2008831769    
H         -2.367856550        -1.190111240        0.9427640847    
H         -3.319416871        -1.044527180       -0.2876022175    
H          1.751739012        -2.236687421         1.471352410    
H        -0.6063526785        -2.566643731         2.021677084    
H         -1.969462659        -2.864526463         2.764139860    
H          2.043291822         1.697508063        -1.356080766    
    18
Energy=    -6256.62574223514    
O         -1.080366186         1.516810566       -0.7344087210    
O          2.783938375        -1.332235213        0.3301380615    
O          1.655261023        0.8540633987        -1.063181403    
O         -2.788793911       -0.4823054422        0.3013793052    
O          1.174408712        -2.712731132         2.199177477    
O         -1.643160982        -2.492506492         1.924187098    
H          1.658649181        -2.496954518         3.011938302    
H          3.186305723        -1.797308707       -0.4195938086    
H          2.378357027       -0.4929879249       -0.1387991846    
H         0.6447583727         1.089060116       -0.9350317351    
H         -1.706127649        0.7534210150       -0.3936772387    
H         -1.373789788         2.268325699       -0.1953179541    
H         -2.369459092        -1.190503493        0.9433580823    
H         -3.321227142        -1.041061943       -0.2860302863    
H          1.752937305        -2.233892435         1.473923499    
H        -0.6053969811        -2.565443247         2.019163368    
H         -1.969322535        -2.875119757         2.754947026    
H          2.042060531         1.693866066        -1.360847488    
    18
Energy=    -6256.62777506461    
O         -1.079859179         1.516772828       -0.7320500908    
O          2.785076436        -1.333075502        0.3298824696    
O          1.654158588        0.8509168147        -1.064503841    
O         -2.790451435       -0.4798914045        0.3046183299    
O          1.174726470        -2.705967786         2.203449469    
O         -1.642034143        -2.495863943         1.917700774    
H          1.654400685        -2.483337426         3.017043476    
H          3.185505476        -1.799790089       -0.4198483711    
H          2.378316804       -0.4949325831       -0.1399068150    
H         0.6440814102         1.086967697       -0.9344954098    
H         -1.706408765        0.7539903332       -0.3909780787    
H         -1.367774613         2.267221150       -0.1887182727    
H         -2.370551982        -1.190540191        0.9434744050    
H         -3.323187477        -1.036796969       -0.2842150753    
H          1.754610805        -2.230024437         1.477250915    
H        -0.6041977111        -2.564573899         2.015747322    
H         -1.968528914        -2.887591824         2.744047201    
H          2.041149530         1.689013787        -1.367174008    
    18
Energy=    -6256.63034871500    
O         -1.079356935         1.516147441       -0.7291749761    
O          2.786879604        -1.335558921        0.3288238962    
O          1.653082337        0.8449988670        -1.065932034    
O         -2.793293307       -0.4746786218        0.3105932949    
O          1.175538556        -2.693412140         2.211787489    
O         -1.639229516        -2.502417858         1.905770674    
H          1.646441982        -2.455850281         3.026975516    
H          3.183392421        -1.805520408       -0.4211147310    
H          2.378678865       -0.4983222886       -0.1420469481    
H         0.6433004844         1.083222455       -0.9348199082    
H         -1.708402787        0.7557044542       -0.3878316076    
H         -1.357186063         2.264372971       -0.1775059235    
H         -2.371375922        -1.189613688        0.9436886301    
H         -3.329502793        -1.027897884       -0.2784872143    
H          1.757481042        -2.223205028         1.483538821    
H        -0.6011586861        -2.563014181         2.009529798    
H         -1.966329117        -2.912916156         2.722785365    
H          2.040071816         1.680457826        -1.375255743    
    18
Energy=    -6256.63175242159    
O         -1.080871441         1.516564786       -0.7299280848    
O          2.788330019        -1.337861086        0.3281260341    
O          1.652375573        0.8436430080        -1.064559100    
O         -2.794021915       -0.4726428516        0.3137423684    
O          1.175447432        -2.688248255         2.214861419    
O         -1.637572833        -2.505725338         1.900786344    
H          1.645234803        -2.451258729         3.029782014    
H          3.179999263        -1.810088742       -0.4230748277    
H          2.380412230       -0.5001301977       -0.1415826655    
H         0.6430485504         1.082518912       -0.9338985163    
H         -1.710305429        0.7565201225       -0.3871925925    
H         -1.359119000         2.264956572       -0.1799684499    
H         -2.369989047        -1.188484528        0.9437446140    
H         -3.331611236        -1.024344938       -0.2754845539    
H          1.759041371        -2.220100585         1.486247592    
H        -0.5996187705        -2.563278829         2.006121737    
H         -1.963048305        -2.917923163         2.717040921    
H          2.041300718         1.678380397        -1.373439855    
    18
Energy=    -6256.63252329231    
O         -1.080089187         1.517441753       -0.7259192385    
O          2.788032670        -1.337196220        0.3289821298    
O          1.652239743        0.8422418907        -1.068507264    
O         -2.795260827       -0.4724680756        0.3130888582    
O          1.175376064        -2.686672145         2.216652334    
O         -1.637510034        -2.506190567         1.899552001    
H          1.642199655        -2.442606902         3.031708986    
H          3.182468193        -1.809466662       -0.4207042509    
H          2.380971759       -0.5000190378       -0.1423279012    
H         0.6435584910         1.081789194       -0.9352593820    
H         -1.710691901        0.7572019521       -0.3856708140    
H         -1.354108656         2.263264546       -0.1698007466    
H         -2.370547493        -1.188215971        0.9424295029    
H         -3.332986704        -1.023843421       -0.2763627714    
H          1.758681053        -2.219362665         1.487255588    
H        -0.5996762598        -2.563231328         2.006214560    
H         -1.964620631        -2.925527695         2.712319146    
H          2.040996047         1.675357910        -1.382326340    
    18
Energy=    -6256.63292963209    
O         -1.080575786         1.517228052       -0.7274611703    
O          2.787498838        -1.337178691        0.3289535028    
O          1.652884021        0.8435401464        -1.067472252    
O         -2.794761822       -0.4730852643        0.3120000959    
O          1.175703527        -2.689515034         2.215161942    
O         -1.637678566        -2.505083268         1.901911915    
H          1.644224335        -2.447716096         3.029930593    
H          3.182104010        -1.808865790       -0.4210325776    
H          2.381112711       -0.4991899740       -0.1418523325    
H         0.6438739992         1.082686122       -0.9356608593    
H         -1.710740464        0.7570022202       -0.3872027082    
H         -1.356827218         2.263800481       -0.1735114133    
H         -2.370129175        -1.188199484        0.9423782521    
H         -3.332984386        -1.025125408       -0.2763482252    
H          1.758264773        -2.221142262         1.486004861    
H        -0.5998336066        -2.563662831         2.007649535    
H         -1.964727025        -2.920550892         2.716218044    
H          2.041623818         1.677554528        -1.378342805    
    18
Energy=    -6256.63312019721    
O         -1.080674035         1.517470934       -0.7276084214    
O          2.787823924        -1.337334739        0.3289062375    
O          1.652823680        0.8432762708        -1.067332996    
O         -2.794648558       -0.4729620238        0.3121862644    
O          1.175571628        -2.688898702         2.215283515    
O         -1.637746336        -2.505342204         1.901850796    
H          1.643945133        -2.446813065         3.029926902    
H          3.182088473        -1.809210905       -0.4211691378    
H          2.381491247       -0.4992747043       -0.1418458340    
H         0.6437958797         1.082543750       -0.9358363904    
H         -1.710835526        0.7572845818       -0.3873456159    
H         -1.356860792         2.263869099       -0.1735022118    
H         -2.370051275        -1.188161163        0.9424641553    
H         -3.333200601        -1.024933452       -0.2759383817    
H          1.758281217        -2.220907545         1.485950474    
H        -0.5998556573        -2.563670306         2.007629378    
H         -1.964672918        -2.921688714         2.715795589    
H          2.041756499         1.677249446        -1.378089925    
    18
Energy=    -6256.63375054832    
O         -1.080815984         1.518520128       -0.7274788029    
O          2.788947991        -1.337798290        0.3289188767    
O          1.652474946        0.8421169371        -1.067600650    
O         -2.794542510       -0.4724376939        0.3128098306    
O          1.175506380        -2.686588942         2.216374598    
O         -1.637682863        -2.506467196         1.900846192    
H          1.642594089        -2.441585677         3.030684320    
H          3.181920501        -1.810682942       -0.4212657617    
H          2.382803467       -0.4997888933       -0.1419927569    
H         0.6435251131         1.081936007       -0.9364422438    
H         -1.711052242        0.7583203668       -0.3875902790    
H         -1.356090547         2.263916642       -0.1717734187    
H         -2.369987691        -1.188115100        0.9424046107    
H         -3.334917185        -1.023849087       -0.2741880584    
H          1.758516030        -2.219953532         1.486352913    
H        -0.5997356902        -2.563594225         2.007344046    
H         -1.964610958        -2.927081029         2.712623522    
H          2.042179135         1.675629085        -1.378702538    
    18
Energy=    -6256.63458282051    
O         -1.080647629         1.519805591       -0.7264195643    
O          2.790432894        -1.338148192        0.3290804561    
O          1.651865616        0.8402551542        -1.068382540    
O         -2.794447410       -0.4717021925        0.3136224326    
O          1.175627388        -2.683306188         2.218226794    
O         -1.637304182        -2.507975019         1.898728669    
H          1.640564577        -2.433472688         3.032210433    
H          3.181597752        -1.812713447       -0.4209744212    
H          2.384149912       -0.5006650042       -0.1425846475    
H         0.6431259102         1.080854017       -0.9368120784    
H         -1.710985495        0.7595290655       -0.3871600739    
H         -1.354165046         2.264013529       -0.1683725548    
H         -2.369917636        -1.188342683        0.9420417410    
H         -3.337432775        -1.022042562       -0.2719874657    
H          1.758904165        -2.218395966         1.487327885    
H        -0.5993755038        -2.563377794         2.006834181    
H         -1.964924809        -2.934835935         2.707051656    
H          2.041964255         1.673016870        -1.381106504    
    18
Energy=    -6256.63607552271    
O         -1.079791787         1.522090078       -0.7232331681    
O          2.793024597        -1.338429446        0.3295848484    
O          1.650505509        0.8364883735        -1.070423499    
O         -2.794293980       -0.4704147762        0.3150300461    
O          1.176355032        -2.677324993         2.222120640    
O         -1.636065739        -2.510854128         1.893587973    
H          1.636942405        -2.418005668         3.035647506    
H          3.180542324        -1.816969758       -0.4198019840    
H          2.386138932       -0.5024555671       -0.1439787977    
H         0.6424251283         1.078713717       -0.9365847134    
H         -1.710481332        0.7617237361       -0.3851832125    
H         -1.350290698         2.264323323       -0.1610901284    
H         -2.369538163        -1.189150104        0.9408092238    
H         -3.342339542        -1.018207362       -0.2683110365    
H          1.759934263        -2.215161939         1.489838070    
H        -0.5983293000        -2.562946290         2.005756943    
H         -1.966023707        -2.948659371         2.695169773    
H          2.040318042         1.667736731        -1.387614085    
    18
Energy=    -6256.63673438520    
O         -1.079004752         1.524090486       -0.7184913609    
O          2.794813074        -1.338819889        0.3304239371    
O          1.648928416        0.8330148463        -1.072486053    
O         -2.793658008       -0.4690749198        0.3156851976    
O          1.177055120        -2.671840985         2.225391441    
O         -1.634681674        -2.513334573         1.888457922    
H          1.633869021        -2.406044932         3.038903466    
H          3.179460068        -1.820807285       -0.4180958423    
H          2.387101114       -0.5042378867       -0.1452469557    
H         0.6416666882         1.076649389       -0.9350166345    
H         -1.709707155        0.7625803615       -0.3825810163    
H         -1.347187807         2.265700949       -0.1542857934    
H         -2.368020907        -1.190013927        0.9389194557    
H         -3.345869269        -1.014615840       -0.2658868598    
H          1.761405081        -2.211588471         1.492271151    
H        -0.5972765259        -2.562538752         2.004472470    
H         -1.967216112        -2.959277660         2.684583553    
H          2.037355611         1.662655645        -1.395693679    
    18
Energy=    -6256.63742002676    
O         -1.078351216         1.524280342       -0.7183028973    
O          2.794952880        -1.338706161        0.3304343412    
O          1.648665551        0.8327097602        -1.072557814    
O         -2.793323695       -0.4692677672        0.3157660642    
O          1.177882186        -2.672076696         2.225678622    
O         -1.633979738        -2.513425467         1.887479688    
H          1.634390749        -2.405654254         3.039215120    
H          3.178421182        -1.821900491       -0.4178740742    
H          2.386948132       -0.5046506223       -0.1453113992    
H         0.6417157013         1.076662042       -0.9342992941    
H         -1.709179717        0.7634313955       -0.3816699708    
H         -1.348225094         2.265903453       -0.1547822989    
H         -2.367878399        -1.190564849        0.9383766744    
H         -3.346717857        -1.013938927       -0.2654622793    
H          1.761976221        -2.211398099         1.492805366    
H        -0.5967589747        -2.562652218         2.004626079    
H         -1.967793888        -2.958715218         2.682995899    
H          2.036287959         1.662460335        -1.395793428    
    18
Energy=    -6256.63756505815    
O         -1.077984735         1.524089409       -0.7167297728    
O          2.794785894        -1.338618820        0.3306035774    
O          1.648577669        0.8321837248        -1.073342046    
O         -2.793845104       -0.4689647971        0.3161072441    
O          1.177845546        -2.671200860         2.226387526    
O         -1.633844880        -2.513891440         1.886191468    
H          1.633706884        -2.404080553         3.040276740    
H          3.178730781        -1.821863169       -0.4174181424    
H          2.386669473       -0.5047491465       -0.1454417844    
H         0.6417739771         1.076423565       -0.9341438283    
H         -1.709432531        0.7635002340       -0.3804605524    
H         -1.347006577         2.265504326       -0.1523497647    
H         -2.368153595        -1.190607200        0.9382640598    
H         -3.346071016        -1.013406566       -0.2664194443    
H          1.762180198        -2.210700014         1.493544336    
H        -0.5965935422        -2.562612988         2.003871328    
H         -1.967921532        -2.959873390         2.681386119    
H          2.035615072         1.661364241        -1.399002664    
    18
Energy=    -6256.63766998244    
O         -1.077972588         1.523818555       -0.7164220265    
O          2.794401566        -1.338507649        0.3306475956    
O          1.648694249        0.8327456748        -1.073182308    
O         -2.793706836       -0.4692453336        0.3157850268    
O          1.177623107        -2.672131191         2.225561340    
O         -1.634127846        -2.513409356         1.886893874    
H          1.634389247        -2.407431317         3.039700559    
H          3.179028054        -1.821208994       -0.4173346960    
H          2.386242750       -0.5044979821       -0.1452033146    
H         0.6418733501         1.076881305       -0.9338177100    
H         -1.709450073        0.7630380836       -0.3803238778    
H         -1.348148668         2.265824975       -0.1533392477    
H         -2.368063049        -1.190572619        0.9384550529    
H         -3.344476446        -1.014082884       -0.2677272673    
H          1.762110922        -2.210962177         1.493183390    
H        -0.5968691673        -2.562758858         2.003915874    
H         -1.967895872        -2.956914056         2.683557806    
H          2.035379283         1.661910380        -1.399025673    
    18
Energy=    -6256.63780434424    
O         -1.077836674         1.524090903       -0.7155243380    
O          2.794580074        -1.338406857        0.3308059574    
O          1.648495626        0.8325948493        -1.073374988    
O         -2.793627132       -0.4692854368        0.3157018288    
O          1.177588976        -2.672029505         2.225404142    
O         -1.634282952        -2.513578635         1.886764070    
H          1.634436072        -2.407974231         3.039703876    
H          3.179217314        -1.821292589       -0.4170988218    
H          2.386294212       -0.5045162206       -0.1451410208    
H         0.6418599785         1.077021678       -0.9335799877    
H         -1.709270760        0.7631926044       -0.3796542649    
H         -1.348793267         2.266264894       -0.1530097583    
H         -2.368096848        -1.190674155        0.9384437739    
H         -3.343629881        -1.014147468       -0.2685405426    
H          1.762284251        -2.210720970         1.493233390    
H        -0.5970595189        -2.562840100         2.003827102    
H         -1.968135866        -2.956551945         2.683744932    
H          2.035008379         1.661349740        -1.400380952    
    18
Energy=    -6256.63807874283    
O         -1.077598246         1.525571044       -0.7128404438    
O          2.795496926        -1.338327915        0.3312458838    
O          1.648013322        0.8317221880        -1.073698745    
O         -2.793244702       -0.4693552129        0.3155870261    
O          1.177683019        -2.671222137         2.225272396    
O         -1.634690915        -2.514520737         1.885980830    
H          1.634617164        -2.408452955         3.039979282    
H          3.179236201        -1.822159853       -0.4165434851    
H          2.386996074       -0.5047954821       -0.1448687555    
H         0.6416827010         1.077172874       -0.9328223091    
H         -1.708730244        0.7639806628       -0.3777551285    
H         -1.351416772         2.268263569       -0.1523248467    
H         -2.368047005        -1.190944810        0.9381700031    
H         -3.341871840        -1.013873439       -0.2701872869    
H          1.763026254        -2.209901619         1.493506261    
H        -0.5974624738        -2.563156778         2.003494870    
H         -1.968684966        -2.956661892         2.683415575    
H          2.034027484         1.659159051        -1.404286729    
    18
Energy=    -6256.63827081042    
O         -1.077701243         1.526251264       -0.7124036455    
O          2.796223554        -1.338424396        0.3313586393    
O          1.647627173        0.8314599987        -1.073551709    
O         -2.793173855       -0.4692388602        0.3156105952    
O          1.177664642        -2.670862426         2.225275218    
O         -1.634826540        -2.514980524         1.885982095    
H          1.634636573        -2.408593183         3.039989176    
H          3.179242129        -1.822438840       -0.4167789860    
H          2.387326706       -0.5049647059       -0.1446213621    
H         0.6416551277         1.077455630       -0.9328219614    
H         -1.708441275        0.7647051690       -0.3772063995    
H         -1.352811799         2.269147579       -0.1525492808    
H         -2.368345459        -1.191094523        0.9382734426    
H         -3.341302940        -1.013844651       -0.2706379329    
H          1.763261885        -2.209837604         1.493569180    
H        -0.5977063081        -2.563332790         2.003317061    
H         -1.968602296        -2.957133643         2.683608243    
H          2.034305909         1.658223062        -1.405087974    
    18
Energy=    -6256.63841126163    
O         -1.077802559         1.526253542       -0.7129114123    
O          2.796228240        -1.338728740        0.3311446397    
O          1.647734130        0.8313629184        -1.073196472    
O         -2.793293444       -0.4690123277        0.3158795311    
O          1.177935124        -2.670685826         2.225721424    
O         -1.634492885        -2.515133255         1.885652116    
H          1.634592135        -2.407478337         3.040378424    
H          3.178712049        -1.822727720       -0.4172417329    
H          2.387321767       -0.5051624427       -0.1446246970    
H         0.6416639613         1.077323509       -0.9329321788    
H         -1.708547028        0.7647806180       -0.3775157632    
H         -1.352883157         2.269258314       -0.1532921322    
H         -2.368367995        -1.190996868        0.9382147574    
H         -3.342344481        -1.013341862       -0.2697182032    
H          1.763419014        -2.209969613         1.493764016    
H        -0.5973700077        -2.563334064         2.003173135    
H         -1.968222040        -2.958157143         2.682800672    
H          2.034749159         1.658245854        -1.403971726    
    18
Energy=    -6256.63872374160    
O         -1.078031728         1.526527764       -0.7135697914    
O          2.796354939        -1.339417724        0.3307990998    
O          1.647942243        0.8309696821        -1.072270238    
O         -2.793497622       -0.4686077321        0.3163119669    
O          1.178539902        -2.670489085         2.226795788    
O         -1.633761056        -2.515587898         1.884935911    
H          1.634806360        -2.405751458         3.041237903    
H          3.177418558        -1.823008508       -0.4184442626    
H          2.387228714       -0.5056335294       -0.1443219253    
H         0.6416534433         1.077028770       -0.9328374825    
H         -1.708801455        0.7652370385       -0.3777412460    
H         -1.353720364         2.270265813       -0.1551835427    
H         -2.368436509        -1.190929218        0.9378572956    
H         -3.344297926        -1.012252123       -0.2681798898    
H          1.763714087        -2.210465496         1.494285012    
H        -0.5966097732        -2.563438920         2.002772733    
H         -1.967188456        -2.959885413         2.681317097    
H          2.035718625         1.657934594        -1.402440030    
    18
Energy=    -6256.63891500571    
O         -1.078034511         1.526547882       -0.7142793769    
O          2.796308432        -1.340082796        0.3303432162    
O          1.648049407        0.8307871399        -1.071539858    
O         -2.793504178       -0.4682461869        0.3166758110    
O          1.178967606        -2.670567273         2.227317492    
O         -1.633229369        -2.515676264         1.884854007    
H          1.634907378        -2.404558650         3.041602752    
H          3.176719462        -1.823014667       -0.4196265753    
H          2.386918581       -0.5060636883       -0.1441228064    
H         0.6417102365         1.076947178       -0.9326431904    
H         -1.708787545        0.7654814295       -0.3779827845    
H         -1.354617469         2.271154875       -0.1574261009    
H         -2.368379922        -1.190777458        0.9378279211    
H         -3.345604086        -1.011413752       -0.2670666571    
H          1.763941404        -2.210970543         1.494417020    
H        -0.5961195678        -2.563469577         2.002738256    
H         -1.966554938        -2.961424498         2.680599674    
H          2.036341060         1.657843406        -1.400364401    
    18
Energy=    -6256.63914514886    
O         -1.077765688         1.526643740       -0.7139118106    
O          2.796037876        -1.340453785        0.3301475002    
O          1.648044834        0.8305626560        -1.071137555    
O         -2.793420202       -0.4681988923        0.3166179153    
O          1.179198468        -2.671180538         2.227506974    
O         -1.632936462        -2.515596912         1.885050008    
H          1.635255324        -2.404890401         3.041635941    
H          3.176511131        -1.822444016       -0.4204172096    
H          2.386442959       -0.5062225590       -0.1438291557    
H         0.6418312728         1.077008423       -0.9319455786    
H         -1.708680213        0.7657869409       -0.3774403931    
H         -1.355851697         2.272411437       -0.1592557063    
H         -2.368244156        -1.190827704        0.9376456512    
H         -3.345754767        -1.011067822       -0.2672375610    
H          1.763953530        -2.211574089         1.494483756    
H        -0.5958449772        -2.563503273         2.002862274    
H         -1.966184532        -2.961520481         2.680723225    
H          2.036439283         1.657563831        -1.400173877    
    18
Energy=    -6256.63937852677    
O         -1.077352618         1.526826955       -0.7133515403    
O          2.795669036        -1.340722714        0.3298492591    
O          1.647984754        0.8302236963        -1.071164277    
O         -2.793210348       -0.4682498236        0.3165616104    
O          1.179020468        -2.671720650         2.227420519    
O         -1.632956696        -2.515317326         1.885708935    
H          1.635133231        -2.404775001         3.041250686    
H          3.177221483        -1.821798060       -0.4208421367    
H          2.386097849       -0.5061992094       -0.1437139567    
H         0.6420029024         1.077180442       -0.9310869891    
H         -1.708407937        0.7661007244       -0.3768051969    
H         -1.356729168         2.273599809       -0.1605352505    
H         -2.368051862        -1.190797021        0.9378066570    
H         -3.345296312        -1.011050122       -0.2677351193    
H          1.763687438        -2.212223640         1.494239738    
H        -0.5958817240        -2.563451259         2.003452768    
H         -1.966094316        -2.962330262         2.680858904    
H          2.036195803         1.657200017        -1.400590211    
    18
Energy=    -6256.63950845110    
O         -1.077050330         1.526998401       -0.7126357392    
O          2.795481411        -1.340983223        0.3296925885    
O          1.647845236        0.8299211518        -1.071360777    
O         -2.793092713       -0.4681608467        0.3167693889    
O          1.178776555        -2.671710174         2.227423272    
O         -1.633068061        -2.515298411         1.885945832    
H          1.634684163        -2.403982988         3.041119693    
H          3.178016878        -1.821579735       -0.4208178595    
H          2.386076189       -0.5062538060       -0.1438703362    
H         0.6421795355         1.077269315       -0.9306030468    
H         -1.708256652        0.7663011491       -0.3761478745    
H         -1.357067198         2.274252644       -0.1607465515    
H         -2.368074780        -1.190702728        0.9381072150    
H         -3.344522213        -1.011007992       -0.2681569266    
H          1.763402904        -2.212436724         1.494125376    
H        -0.5959256816        -2.563310049         2.003733815    
H         -1.966173142        -2.963554555         2.680389633    
H          2.035799883         1.656735128        -1.401643305    
    18
Energy=    -6256.63966780050    
O         -1.076735023         1.527138540       -0.7117735228    
O          2.795432078        -1.341288512        0.3294774585    
O          1.647607509        0.8294906679        -1.071907505    
O         -2.793085971       -0.4678998094        0.3172861404    
O          1.178421504        -2.671177079         2.227670516    
O         -1.633238143        -2.515393761         1.885985463    
H          1.633676518        -2.401765945         3.041144149    
H          3.179148387        -1.821679134       -0.4206109508    
H          2.386305620       -0.5065522286       -0.1442537798    
H         0.6421595759         1.077364146       -0.9300851616    
H         -1.708071857        0.7666253856       -0.3752247942    
H         -1.356882805         2.274719165       -0.1604321253    
H         -2.368147891        -1.190531613        0.9386518454    
H         -3.343634173        -1.010795622       -0.2684075299    
H          1.763090729        -2.212435637         1.494093886    
H        -0.5960775047        -2.563103418         2.003910701    
H         -1.966343986        -2.966213154         2.678995779    
H          2.035407416         1.655994565        -1.403196170    
    18
Energy=    -6256.63993620955    
O         -1.076487574         1.527460816       -0.7107890477    
O          2.795359490        -1.342117045        0.3289243019    
O          1.647515997        0.8288919511        -1.072434512    
O         -2.793286134       -0.4670810873        0.3187421742    
O          1.177961086        -2.670058205         2.228403193    
O         -1.633270891        -2.515644776         1.885832149    
H          1.631705298        -2.396892820         3.041523465    
H          3.180899880        -1.822232801       -0.4203825240    
H          2.386644862       -0.5073416912       -0.1451719204    
H         0.6424112503         1.077276319       -0.9298316047    
H         -1.707901800        0.7670589913       -0.3738256537    
H         -1.356768738         2.275531478       -0.1601234902    
H         -2.368573689        -1.190076066        0.9397837959    
H         -3.342447229        -1.010110164       -0.2681795572    
H          1.762636825        -2.212559607         1.494120278    
H        -0.5959874051        -2.562763448         2.004090132    
H         -1.966450731        -2.971764178         2.675708418    
H          2.035071484         1.654918890        -1.405065200    
    18
Energy=    -6256.64028076035    
O         -1.076288456         1.527431619       -0.7100539612    
O          2.795175044        -1.343198481        0.3282070838    
O          1.647517930        0.8285197119        -1.072697201    
O         -2.793837050       -0.4659614099        0.3206270569    
O          1.177956475        -2.668976043         2.229634808    
O         -1.632912566        -2.515875353         1.885233921    
H          1.629503210        -2.390788821         3.042264604    
H          3.182382687        -1.823119988       -0.4204084016    
H          2.386780022       -0.5086622529       -0.1463435690    
H         0.6424110032         1.077122944       -0.9296813791    
H         -1.707719461        0.7675378986       -0.3722540263    
H         -1.356621774         2.276340341       -0.1605775428    
H         -2.369064035        -1.189329609        0.9411612420    
H         -3.341694414        -1.008890032       -0.2673406579    
H          1.762369416        -2.212848319         1.494407223    
H        -0.5957072430        -2.562481799         2.004149856    
H         -1.966355550        -2.978397244         2.671321940    
H          2.035136745         1.654073394        -1.406326597    
    18
Energy=    -6256.64051745858    
O         -1.076510672         1.527203871       -0.7104255083    
O          2.795001178        -1.344071150        0.3276328497    
O          1.647828806        0.8287130623        -1.072220780    
O         -2.794344138       -0.4650257473        0.3221516843    
O          1.178412722        -2.668673765         2.230488675    
O         -1.632395988        -2.515964987         1.884755156    
H          1.628478324        -2.387223643         3.042808922    
H          3.182594962        -1.824050515       -0.4207065226    
H          2.386657384       -0.5096683320       -0.1471049290    
H         0.6425113302         1.076932372       -0.9299658312    
H         -1.707905527        0.7676878082       -0.3717211273    
H         -1.357031587         2.276831175       -0.1621148793    
H         -2.369407982        -1.188740886        0.9420801941    
H         -3.341801322        -1.007928613       -0.2661449704    
H          1.762587031        -2.213290990         1.494685949    
H        -0.5952326081        -2.562398713         2.004101244    
H         -1.966133886        -2.982086259         2.668489084    
H          2.035723957         1.654251871        -1.405464812    
    18
Energy=    -6256.64066221514    
O         -1.076706947         1.527016589       -0.7111131535    
O          2.794839353        -1.344778589        0.3272601677    
O          1.648128093        0.8289337128        -1.071606488    
O         -2.794555437       -0.4644251363        0.3230532893    
O          1.178962308        -2.668776078         2.230975549    
O         -1.631925146        -2.515857181         1.884561699    
H          1.628085330        -2.385257221         3.043035864    
H          3.182322624        -1.824703905       -0.4211602467    
H          2.386342162       -0.5103841030       -0.1473374459    
H         0.6426102965         1.076784094       -0.9301812632    
H         -1.708103035        0.7677966429       -0.3717772215    
H         -1.357629640         2.277293824       -0.1639022867    
H         -2.369378736        -1.188283030        0.9425603800    
H         -3.342428521        -1.007243683       -0.2649136337    
H          1.762984982        -2.213758335         1.494841627    
H        -0.5948243847        -2.562352193         2.004132805    
H         -1.965915123        -2.984244411         2.666865582    
H          2.036223804         1.654735559        -1.403970824    
    18
Energy=    -6256.64081506203    
O         -1.077038211         1.526665325       -0.7125268922    
O          2.794502137        -1.345599482        0.3268923454    
O          1.648551706        0.8295327186        -1.070706744    
O         -2.794640821       -0.4639183449        0.3238195651    
O          1.179602084        -2.669641333         2.230918896    
O         -1.631538869        -2.515391415         1.885077572    
H          1.628161342        -2.384858041         3.042750308    
H          3.181839530        -1.825142828       -0.4218839981    
H          2.385869741       -0.5109651654       -0.1471216248    
H         0.6427992027         1.076877545       -0.9303665164    
H         -1.708425028        0.7678221755       -0.3723415382    
H         -1.358921201         2.277887168       -0.1671565566    
H         -2.369102956        -1.187680694        0.9431648979    
H         -3.342991908        -1.006952874       -0.2635826877    
H          1.763558611        -2.214677156         1.494616331    
H        -0.5944416529        -2.562293014         2.004422906    
H         -1.965701747        -2.985189166         2.666447445    
H          2.036950024         1.656021139        -1.401099310    
    18
Energy=    -6256.64090686560    
O         -1.077277022         1.526379806       -0.7138869962    
O          2.794162953        -1.346303501        0.3266063143    
O          1.648868032        0.8300604007        -1.069882301    
O         -2.794479704       -0.4636365614        0.3242557933    
O          1.180007270        -2.670632208         2.230550227    
O         -1.631239701        -2.514711923         1.885864508    
H          1.628334433        -2.385338666         3.042250992    
H          3.181465221        -1.825335864       -0.4225747454    
H          2.385467898       -0.5112683739       -0.1467283466    
H         0.6429664431         1.077089505       -0.9304032648    
H         -1.708599689        0.7678028828       -0.3730326152    
H         -1.360339003         2.278529644       -0.1703436805    
H         -2.368701617        -1.187090368        0.9437504894    
H         -3.343301671        -1.006902413       -0.2624779292    
H          1.763931550        -2.215645929         1.494202105    
H        -0.5941408421        -2.562262878         2.004908918    
H         -1.965506882        -2.985533183         2.666656774    
H          2.037414313         1.657296185        -1.398391844    
    18
Energy=    -6256.64095376837    
O         -1.077483812         1.526167041       -0.7148909654    
O          2.794031245        -1.346537350        0.3265066827    
O          1.648999932        0.8304817910        -1.069435639    
O         -2.794316357       -0.4635761343        0.3243383923    
O          1.180088049        -2.671459526         2.230018005    
O         -1.631215077        -2.514270377         1.886592089    
H          1.628723999        -2.386743264         3.041739124    
H          3.181168236        -1.825287585       -0.4229676978    
H          2.385395710       -0.5112057529       -0.1462867000    
H         0.6430259160         1.077350701       -0.9303924611    
H         -1.708720346        0.7676615828       -0.3736280809    
H         -1.361272482         2.278787369       -0.1723490393    
H         -2.368440582        -1.186782567        0.9441373629    
H         -3.343150140        -1.007171005       -0.2621203881    
H          1.764107468        -2.216213236         1.493766418    
H        -0.5940682113        -2.562262920         2.005258757    
H         -1.965485834        -2.984689785         2.667609058    
H          2.037644272         1.658247575        -1.396570517    
    18
Energy=    -6256.64098614323    
O         -1.077648098         1.526021541       -0.7156217601    
O          2.794024173        -1.346590592        0.3264729795    
O          1.649010319        0.8307901687        -1.069137304    
O         -2.794065239       -0.4636138918        0.3243112089    
O          1.180003348        -2.672031061         2.229428941    
O         -1.631285170        -2.513862868         1.887234593    
H          1.629029295        -2.388235336         3.041314865    
H          3.180963381        -1.825221162       -0.4232001871    
H          2.385467099       -0.5110224937       -0.1460197392    
H         0.6429903101         1.077554837       -0.9302940696    
H         -1.708748051        0.7675325060       -0.3740488670    
H         -1.362039893         2.278944471       -0.1738382741    
H         -2.368173417        -1.186558677        0.9444204051    
H         -3.342837532        -1.007502992       -0.2619726712    
H          1.764105670        -2.216578882         1.493371842    
H        -0.5940753192        -2.562274850         2.005538337    
H         -1.965481782        -2.983780488         2.668616557    
H          2.037792889         1.658926327        -1.395252459    
    18
Energy=    -6256.64102042583    
O         -1.077904496         1.525832439       -0.7165392951    
O          2.794028249        -1.346547391        0.3264099676    
O          1.649074595        0.8312063974        -1.068677753    
O         -2.793783152       -0.4637003577        0.3242323259    
O          1.179875412        -2.672847324         2.228729153    
O         -1.631378481        -2.513377425         1.888009588    
H          1.629590803        -2.390523193         3.040775799    
H          3.180652856        -1.825047641       -0.4234944154    
H          2.385634949       -0.5107231273       -0.1457370914    
H         0.6429449394         1.077799832       -0.9302108318    
H         -1.708732403        0.7672864613       -0.3745264457    
H         -1.363094845         2.279150923       -0.1756657459    
H         -2.367955346        -1.186361968        0.9447721912    
H         -3.342250243        -1.007945960       -0.2619646910    
H          1.763979471        -2.217014848         1.492871675    
H        -0.5941195804        -2.562321840         2.005811571    
H         -1.965462929        -2.982137067         2.670130378    
H          2.037932183         1.659768646        -1.393601980    
    18
Energy=    -6256.64106672084    
O         -1.078200521         1.525563093       -0.7175043270    
O          2.794099075        -1.346570971        0.3262726390    
O          1.649168288        0.8315900294        -1.068160128    
O         -2.793656131       -0.4635440052        0.3245330884    
O          1.179941412        -2.673558056         2.228336558    
O         -1.631219048        -2.512984794         1.888387907    
H          1.630016024        -2.392092027         3.040576929    
H          3.180007564        -1.825207621       -0.4238900638    
H          2.385866775       -0.5105394107       -0.1456459948    
H         0.6428836536         1.077858345       -0.9301521444    
H         -1.708780241        0.7670645463       -0.3748966180    
H         -1.364216219         2.279386554       -0.1777939123    
H         -2.367779511        -1.186074616        0.9452307315    
H         -3.341916257        -1.008034676       -0.2616172605    
H          1.763910634        -2.217394980         1.492619060    
H        -0.5939129438        -2.562349713         2.005935722    
H         -1.965402790        -2.981199651         2.670831787    
H          2.038222221         1.660584508        -1.391739575    
    18
Energy=    -6256.64110090118    
O         -1.078478139         1.525257186       -0.7183951361    
O          2.794019674        -1.346605155        0.3261155720    
O          1.649377751        0.8320529502        -1.067593911    
O         -2.793650135       -0.4633831225        0.3248032177    
O          1.180190975        -2.674473397         2.228115230    
O         -1.630965516        -2.512559512         1.888694951    
H          1.630535275        -2.393669875         3.040415249    
H          3.179322767        -1.825329844       -0.4242663308    
H          2.385905287       -0.5104090927       -0.1456211471    
H         0.6429129447         1.077975038       -0.9301986391    
H         -1.708850598        0.7668077562       -0.3752735326    
H         -1.365399951         2.279630574       -0.1798859001    
H         -2.367674642        -1.185780407        0.9455839706    
H         -3.341762806        -1.008072517       -0.2612604794    
H          1.763882796        -2.217875870         1.492492580    
H        -0.5936657530        -2.562419135         2.006021116    
H         -1.965255604        -2.980108927         2.671468519    
H          2.038587658         1.661459907        -1.389890930    
    18
Energy=    -6256.64111807928    
O         -1.078467833         1.525191747       -0.7184074429    
O          2.794023951        -1.346639483        0.3260543843    
O          1.649431952        0.8319828220        -1.067621426    
O         -2.793794821       -0.4631438341        0.3251103511    
O          1.180391665        -2.674482098         2.228411369    
O         -1.630745528        -2.512576379         1.888408561    
H          1.630409336        -2.393047110         3.040668756    
H          3.179041131        -1.825587905       -0.4243064406    
H          2.385916716       -0.5104879308       -0.1457665892    
H         0.6429660044         1.077891078       -0.9302893792    
H         -1.708887847        0.7668086092       -0.3752082042    
H         -1.365470639         2.279667392       -0.1801131812    
H         -2.367699251        -1.185665067        0.9456593820    
H         -3.342011663        -1.007770681       -0.2609201945    
H          1.763959720        -2.217849459         1.492726367    
H        -0.5934728780        -2.562388598         2.005937656    
H         -1.965224779        -2.980847372         2.670722332    
H          2.038666748         1.661440828        -1.389741903    
    18
Energy=    -6256.64113243170    
O         -1.078456137         1.525096009       -0.7184483000    
O          2.793954179        -1.346581441        0.3260578661    
O          1.649498284        0.8320344529        -1.067662783    
O         -2.793899305       -0.4630570514        0.3252249843    
O          1.180540919        -2.674673936         2.228489140    
O         -1.630659102        -2.512505250         1.888361110    
H          1.630477203        -2.393190899         3.040734446    
H          3.178820616        -1.825629387       -0.4243126038    
H          2.385842263       -0.5104428005       -0.1458248924    
H         0.6430129038         1.077879842       -0.9303854906    
H         -1.708924865        0.7667675925       -0.3752441914    
H         -1.365610331         2.279664503       -0.1803744154    
H         -2.367696002        -1.185576546        0.9456689210    
H         -3.342117479        -1.007694124       -0.2608120221    
H          1.764015676        -2.217899730         1.492861428    
H        -0.5933981561        -2.562387120         2.005927380    
H         -1.965165588        -2.980869103         2.670585202    
H          2.038796903         1.661561545        -1.389521380    
    18
Energy=    -6256.64114778046    
O         -1.078347786         1.525063469       -0.7182988866    
O          2.793913936        -1.346511918        0.3260907856    
O          1.649512336        0.8319187226        -1.067895592    
O         -2.793996915       -0.4629471305        0.3253703849    
O          1.180614902        -2.674641659         2.228627383    
O         -1.630612066        -2.512497877         1.888273385    
H          1.630344842        -2.392865033         3.040855369    
H          3.178728178        -1.825650583       -0.4242447389    
H          2.385783521       -0.5104234591       -0.1458887224    
H         0.6430547958         1.077802100       -0.9305038528    
H         -1.708906992        0.7667910155       -0.3751568754    
H         -1.365512859         2.279667870       -0.1802755387    
H         -2.367705408        -1.185506751        0.9456915530    
H         -3.342211024        -1.007555286       -0.2607084439    
H          1.764067740        -2.217819692         1.493020746    
H        -0.5933637565        -2.562322397         2.005924366    
H         -1.965152418        -2.981471220         2.670128175    
H          2.038820957         1.661466386        -1.389685098    
    18
Energy=    -6256.64119050393    
O         -1.078015823         1.524946835       -0.7178880472    
O          2.793869755        -1.346172313        0.3262758083    
O          1.649513070        0.8315586606        -1.068757382    
O         -2.794214756       -0.4626912580        0.3257107283    
O          1.180654120        -2.674450673         2.228839821    
O         -1.630607600        -2.512417770         1.888221673    
H          1.629933853        -2.392237036         3.041114652    
H          3.178535287        -1.825573192       -0.4239469636    
H          2.385671245       -0.5102703777       -0.1460151434    
H         0.6431427701         1.077593107       -0.9309822413    
H         -1.708782355        0.7668104120       -0.3748639772    
H         -1.365074683         2.279597712       -0.1798729733    
H         -2.367774387        -1.185312634        0.9458211987    
H         -3.342285898        -1.007317458       -0.2605081183    
H          1.764117250        -2.217518429         1.493326446    
H        -0.5933722964        -2.562113400         2.006005648    
H         -1.965155056        -2.983154846         2.669027078    
H          2.038877489         1.661219218        -1.390183808    
    18
Energy=    -6256.64124208360    
O         -1.077604690         1.524811686       -0.7174366607    
O          2.793788804        -1.345677151        0.3265404290    
O          1.649523303        0.8310009343        -1.070044720    
O         -2.794413160       -0.4623469576        0.3261879154    
O          1.180575472        -2.674055874         2.229038737    
O         -1.630631057        -2.512289560         1.888289914    
H          1.629281527        -2.391378962         3.041438404    
H          3.178340626        -1.825422962       -0.4235172617    
H          2.385560054       -0.5100004707       -0.1461639065    
H         0.6432653096         1.077190486       -0.9317266624    
H         -1.708580234        0.7668448572       -0.3744227757    
H         -1.364403405         2.279544344       -0.1793585327    
H         -2.367928146        -1.185027674        0.9461730225    
H         -3.342307747        -1.006982848       -0.2601952983    
H          1.764139192        -2.217027661         1.493643980    
H        -0.5933957687        -2.561792438         2.006188618    
H         -1.965166916        -2.985767097         2.667462293    
H          2.038988818         1.660873905        -1.390773097    
    18
Energy=    -6256.64128816722    
O         -1.077199976         1.524512922       -0.7170135234    
O          2.793852465        -1.344915562        0.3270555458    
O          1.649626247        0.8302904801        -1.072043279    
O         -2.794722689       -0.4617973527        0.3268582551    
O          1.180503464        -2.673338156         2.229313340    
O         -1.630588622        -2.512213795         1.888360996    
H          1.628680178        -2.390478314         3.041941264    
H          3.177806915        -1.825333909       -0.4227757689    
H          2.385411115       -0.5097353447       -0.1463288206    
H         0.6435552921         1.076723430       -0.9330723560    
H         -1.708349174        0.7668521461       -0.3736843339    
H         -1.363558227         2.279459067       -0.1791388144    
H         -2.368581979        -1.184593802        0.9468245534    
H         -3.342411766        -1.006467915       -0.2595989060    
H          1.764088057        -2.216289891         1.493963106    
H        -0.5933207683        -2.561489305         2.006462950    
H         -1.965158194        -2.989351817         2.665276101    
H          2.039399646         1.660663675        -1.391075910    
    18
Energy=    -6256.64131754931    
O         -1.077157947         1.524541705       -0.7171134892    
O          2.793654570        -1.344835049        0.3270496107    
O          1.649628063        0.8301442635        -1.072283911    
O         -2.794567201       -0.4617803920        0.3269620494    
O          1.180283336        -2.673202906         2.229204691    
O         -1.630675212        -2.512111242         1.888630474    
H          1.628485924        -2.390403709         3.041871698    
H          3.178000611        -1.825238288       -0.4226751387    
H          2.385426203       -0.5095641920       -0.1463788313    
H         0.6435322727         1.076457583       -0.9332208397    
H         -1.708282696        0.7668664468       -0.3736398628    
H         -1.363381851         2.279543098       -0.1791174393    
H         -2.368486923        -1.184537331        0.9470875961    
H         -3.342329551        -1.006399975       -0.2595362637    
H          1.764027412        -2.216109676         1.493917052    
H        -0.5933846064        -2.561330697         2.006577678    
H         -1.965147702        -2.990141044         2.665028147    
H          2.039407283         1.660597960        -1.391038824    
    18
Energy=    -6256.64132134718    
O         -1.077223748         1.524557103       -0.7172912009    
O          2.793628848        -1.344873089        0.3270222172    
O          1.649615837        0.8301936554        -1.072147183    
O         -2.794446876       -0.4618586091        0.3268916604    
O          1.180176747        -2.673170011         2.229077426    
O         -1.630737519        -2.512094761         1.888768676    
H          1.628582572        -2.390607743         3.041744856    
H          3.178128941        -1.825224018       -0.4226632395    
H          2.385464671       -0.5095538825       -0.1463865184    
H         0.6434884394         1.076444870       -0.9331850663    
H         -1.708271361        0.7668647702       -0.3737015589    
H         -1.363389124         2.279558826       -0.1792553540    
H         -2.368458485        -1.184586603        0.9471563662    
H         -3.342263746        -1.006461361       -0.2595561496    
H          1.763958620        -2.216115522         1.493767338    
H        -0.5934347930        -2.561341261         2.006625963    
H         -1.965165031        -2.989928391         2.665282422    
H          2.039377992         1.660692583        -1.390826255    
    18
Energy=    -6256.64132507700    
O         -1.077267311         1.524573760       -0.7174108734    
O          2.793640646        -1.344910591        0.3270086428    
O          1.649591028        0.8301830100        -1.072115386    
O         -2.794383079       -0.4618496861        0.3269293207    
O          1.180111930        -2.673061970         2.229047734    
O         -1.630769195        -2.512119348         1.888826112    
H          1.628633812        -2.390583270         3.041707640    
H          3.178205834        -1.825278539       -0.4226306860    
H          2.385503649       -0.5095915510       -0.1464214749    
H         0.6434548517         1.076440454       -0.9332006298    
H         -1.708261563        0.7668878794       -0.3736989009    
H         -1.363399506         2.279617233       -0.1794111731    
H         -2.368461426        -1.184596406        0.9472325165    
H         -3.342244610        -1.006417773       -0.2594939963    
H          1.763909988        -2.216084376         1.493690653    
H        -0.5934579437        -2.561339837         2.006654721    
H         -1.965161850        -2.990090266         2.665274969    
H          2.039386727         1.660717834        -1.390664791    
    18
Energy=    -6256.64133330263    
O         -1.077329312         1.524557701       -0.7176392238    
O          2.793609514        -1.344901913        0.3270213287    
O          1.649572704        0.8302203441        -1.072108034    
O         -2.794325361       -0.4618450623        0.3269617297    
O          1.180050956        -2.673037181         2.228976710    
O         -1.630817181        -2.512118387         1.888956159    
H          1.628874859        -2.390928106         3.041624507    
H          3.178250949        -1.825311281       -0.4225488568    
H          2.385515929       -0.5095867146       -0.1464509758    
H         0.6434189344         1.076475543       -0.9332817069    
H         -1.708255150        0.7668838032       -0.3737727006    
H         -1.363478181         2.279669519       -0.1797440202    
H         -2.368460580        -1.184604935        0.9472970790    
H         -3.342229552        -1.006382235       -0.2594287757    
H          1.763827132        -2.216056948         1.493593883    
H        -0.5934991322        -2.561346247         2.006711006    
H         -1.965137108        -2.990056302         2.665449076    
H          2.039442563         1.660864959        -1.390292786    
    18
Energy=    -6256.64135036772    
O         -1.077385861         1.524507684       -0.7180012452    
O          2.793485085        -1.344853560        0.3270625879    
O          1.649555572        0.8302463050        -1.072244481    
O         -2.794287000       -0.4617521993        0.3271240763    
O          1.180004713        -2.673019050         2.228948198    
O         -1.630866756        -2.512118476         1.889147753    
H          1.629346706        -2.391497192         3.041544187    
H          3.178301015        -1.825372886       -0.4223422229    
H          2.385459234       -0.5095789669       -0.1465469772    
H         0.6433845103         1.076507277       -0.9335091234    
H         -1.708237869        0.7668919545       -0.3738792659    
H         -1.363632535         2.279799663       -0.1803986701    
H         -2.368465215        -1.184572815        0.9474126860    
H         -3.342273917        -1.006200356       -0.2592490787    
H          1.763688254        -2.215983578         1.493515666    
H        -0.5935426309        -2.561320422         2.006830358    
H         -1.965075846        -2.990313613         2.665545380    
H          2.039574525         1.661126786        -1.389635429    
    18
Energy=    -6256.64137181074    
O         -1.077406361         1.524408723       -0.7183482884    
O          2.793227704        -1.344716194        0.3271447202    
O          1.649600905        0.8303119725        -1.072524300    
O         -2.794306103       -0.4616253013        0.3272978326    
O          1.180045425        -2.673191748         2.228973337    
O         -1.630875081        -2.512083644         1.889339124    
H          1.630044530        -2.392466844         3.041488251    
H          3.178296227        -1.825355383       -0.4220546644    
H          2.385268739       -0.5095046436       -0.1466610373    
H         0.6434152332         1.076512935       -0.9338531512    
H         -1.708243419        0.7668834127       -0.3740181198    
H         -1.363899549         2.279932589       -0.1812100647    
H         -2.368492479        -1.184503636        0.9475081523    
H         -3.342387733        -1.005972873       -0.2590732520    
H          1.763552072        -2.215936670         1.493535837    
H        -0.5935749702        -2.561286237         2.006982310    
H         -1.965004544        -2.990435329         2.665683289    
H          2.039771387         1.661525427        -1.388885576    
    18
Energy=    -6256.64137468750    
O         -1.077416955         1.524397027       -0.7184283118    
O          2.793190671        -1.344699154        0.3271474543    
O          1.649596750        0.8303342173        -1.072565609    
O         -2.794288108       -0.4616233300        0.3272998774    
O          1.180053720        -2.673234184         2.228962882    
O         -1.630891361        -2.512070429         1.889387785    
H          1.630133567        -2.392629456         3.041467967    
H          3.178326776        -1.825328830       -0.4220186542    
H          2.385241730       -0.5094905938       -0.1466737053    
H         0.6434051504         1.076529040       -0.9338861862    
H         -1.708237315        0.7668728653       -0.3740782133    
H         -1.363910349         2.279935130       -0.1812913412    
H         -2.368488094        -1.184497523        0.9475199675    
H         -3.342416383        -1.005956912       -0.2590507908    
H          1.763527182        -2.215942849         1.493524222    
H        -0.5935718028        -2.561277337         2.007024140    
H         -1.965017662        -2.990410870         2.665746119    
H          2.039794467         1.661589744        -1.388763204    
    18
Energy=    -6256.64138915221    
O         -1.077387048         1.524327765       -0.7185614471    
O          2.792956958        -1.344577974        0.3271973464    
O          1.649647943        0.8303911418        -1.072840090    
O         -2.794342150       -0.4615237729        0.3273914557    
O          1.180168121        -2.673472316         2.229057015    
O         -1.630857091        -2.512027952         1.889460002    
H          1.630581777        -2.393288643         3.041497128    
H          3.178336872        -1.825241648       -0.4218215438    
H          2.385028958       -0.5094215806       -0.1467642814    
H         0.6434587449         1.076528058       -0.9341296466    
H         -1.708245723        0.7668540018       -0.3741935831    
H         -1.364080712         2.279983148       -0.1816910118    
H         -2.368506313        -1.184416711        0.9475331876    
H         -3.342571887        -1.005789374       -0.2589565787    
H          1.763475976        -2.215958743         1.493637653    
H        -0.5935548036        -2.561256096         2.007137663    
H         -1.965006495        -2.990459364         2.665772678    
H          2.039928855         1.661846616        -1.388401548    
    18
Energy=    -6256.64139455503    
O         -1.077378261         1.524314412       -0.7185567903    
O          2.792906384        -1.344557435        0.3271955030    
O          1.649662919        0.8304002720        -1.072897308    
O         -2.794362127       -0.4614772739        0.3274251425    
O          1.180228048        -2.673555868         2.229124589    
O         -1.630826275        -2.512023088         1.889419637    
H          1.630657002        -2.393408296         3.041554809    
H          3.178328052        -1.825190773       -0.4218228204    
H          2.384956872       -0.5094196052       -0.1467840919    
H         0.6434744330         1.076513763       -0.9341928003    
H         -1.708262216        0.7668515468       -0.3742025190    
H         -1.364140697         2.280000798       -0.1817686626    
H         -2.368491909        -1.184373658        0.9475289912    
H         -3.342626677        -1.005727054       -0.2589217893    
H          1.763506835        -2.215993266         1.493721357    
H        -0.5935391727        -2.561268168         2.007160091    
H         -1.965014409        -2.990472515         2.665705606    
H          2.039953182         1.661882766        -1.388364547    
    18
Energy=    -6256.64140108196    
O         -1.077377507         1.524319224       -0.7185572966    
O          2.792864894        -1.344548076        0.3271747126    
O          1.649665168        0.8303970868        -1.072957939    
O         -2.794354738       -0.4614217372        0.3274566121    
O          1.180292683        -2.673646791         2.229212533    
O         -1.630796512        -2.512016556         1.889364421    
H          1.630691724        -2.393492447         3.041643578    
H          3.178370586        -1.825095883       -0.4218564906    
H          2.384878776       -0.5094279362       -0.1468041362    
H         0.6434779888         1.076495488       -0.9342671997    
H         -1.708278247        0.7668605603       -0.3742146839    
H         -1.364188500         2.280017658       -0.1818154814    
H         -2.368454615        -1.184317200        0.9475359753    
H         -3.342691560        -1.005661018       -0.2588500414    
H          1.763559118        -2.216059285         1.493829772    
H        -0.5935316242        -2.561289644         2.007194597    
H         -1.965056785        -2.990517254         2.665589824    
H          2.039961134         1.661900367        -1.388354358    
    18
Energy=    -6256.64140920135    
O         -1.077405083         1.524362030       -0.7186127883    
O          2.792839374        -1.344549850        0.3271389758    
O          1.649632900        0.8303734669        -1.073041026    
O         -2.794305372       -0.4613582805        0.3275019372    
O          1.180331490        -2.673700676         2.229304995    
O         -1.630787426        -2.512031583         1.889324562    
H          1.630730434        -2.393596805         3.041751405    
H          3.178511147        -1.824973121       -0.4218893917    
H          2.384812323       -0.5094508529       -0.1468354660    
H         0.6434518607         1.076485472       -0.9343692884    
H         -1.708287375        0.7668950913       -0.3742484024    
H         -1.364224711         2.280047867       -0.1818643319    
H         -2.368395016        -1.184263126        0.9475607287    
H         -3.342754967        -1.005580119       -0.2587222408    
H          1.763603785        -2.216122203         1.493937740    
H        -0.5935451675        -2.561328629         2.007243562    
H         -1.965140375        -2.990616458         2.665456837    
H          2.039964162         1.661904330        -1.388313410    
    18
Energy=    -6256.64141953983    
O         -1.077450283         1.524461857       -0.7187308937    
O          2.792783587        -1.344525953        0.3271134740    
O          1.649554091        0.8302928790        -1.073251259    
O         -2.794201600       -0.4612670600        0.3276039765    
O          1.180332893        -2.673729654         2.229401023    
O         -1.630800838        -2.512067671         1.889316405    
H          1.630788921        -2.393827982         3.041895849    
H          3.178871439        -1.824744463       -0.4218381985    
H          2.384719284       -0.5094797106       -0.1469035412    
H         0.6433924309         1.076456478       -0.9345601358    
H         -1.708270790        0.7669848186       -0.3742897751    
H         -1.364235364         2.280128660       -0.1819366691    
H         -2.368288623        -1.184210765        0.9476296161    
H         -3.342790676        -1.005470990       -0.2584878105    
H          1.763599048        -2.216169627         1.494036065    
H        -0.5935820720        -2.561392851         2.007332836    
H         -1.965322719        -2.990838959         2.665262003    
H          2.039933254         1.661897549        -1.388268567    
    18
Energy=    -6256.64142360495    
O         -1.077506347         1.524536922       -0.7188760708    
O          2.792840200        -1.344494624        0.3271112837    
O          1.649459194        0.8302220319        -1.073375747    
O         -2.794100549       -0.4612236324        0.3276864002    
O          1.180262798        -2.673660354         2.229397020    
O         -1.630868578        -2.512118369         1.889350746    
H          1.630807091        -2.393904973         3.041920395    
H          3.179112304        -1.824667864       -0.4217677983    
H          2.384744434       -0.5094950888       -0.1469499783    
H         0.6433080992         1.076454079       -0.9347102320    
H         -1.708260541        0.7670508170       -0.3743469699    
H         -1.364206407         2.280179719       -0.1820183099    
H         -2.368230166        -1.184186892        0.9477126379    
H         -3.342815911        -1.005426626       -0.2582868906    
H          1.763572641        -2.216135217         1.494049931    
H        -0.5936446355        -2.561453894         2.007364564    
H         -1.965410940        -2.991047308         2.665183783    
H          2.039969296         1.661867830        -1.388120366    
    18
Energy=    -6256.64142357505    
O         -1.077502649         1.524548251       -0.7188821442    
O          2.792824940        -1.344487504        0.3271251427    
O          1.649449775        0.8301950877        -1.073405155    
O         -2.794092279       -0.4612241399        0.3277021956    
O          1.180250732        -2.673651605         2.229383192    
O         -1.630873162        -2.512126855         1.889352997    
H          1.630795616        -2.393904406         3.041909151    
H          3.179179252        -1.824644774       -0.4217235879    
H          2.384741278       -0.5094936182       -0.1469576774    
H         0.6433043662         1.076447134       -0.9347107215    
H         -1.708246042        0.7670681311       -0.3743278086    
H         -1.364191587         2.280205123       -0.1820274583    
H         -2.368229778        -1.184198494        0.9477373566    
H         -3.342791679        -1.005425190       -0.2582704670    
H          1.763548760        -2.216133763         1.494021450    
H        -0.5936459359        -2.561459692         2.007365175    
H         -1.965430495        -2.991072078         2.665173143    
H          2.039940871         1.661854949        -1.388140384    
    18
Energy=    -6256.64142327277    
O         -1.077501608         1.524554110       -0.7188726985    
O          2.792819900        -1.344471840        0.3271529682    
O          1.649441381        0.8301742712        -1.073424967    
O         -2.794095387       -0.4612342486        0.3277078249    
O          1.180232251        -2.673638542         2.229359006    
O         -1.630875691        -2.512145624         1.889339724    
H          1.630784741        -2.393905820         3.041887690    
H          3.179220622        -1.824637073       -0.4216671231    
H          2.384747950       -0.5094854986       -0.1469568328    
H         0.6433010723         1.076436307       -0.9347025892    
H         -1.708239587        0.7670786195       -0.3743033089    
H         -1.364167516         2.280216387       -0.1820091978    
H         -2.368233423        -1.184214362        0.9477439967    
H         -3.342771466        -1.005437730       -0.2582761076    
H          1.763524320        -2.216117086         1.493989854    
H        -0.5936432691        -2.561472703         2.007342672    
H         -1.965431433        -2.991037479         2.665192706    
H          2.039919127         1.661834870        -1.388179218    
    18
Energy=    -6256.64142343631    
O         -1.077502683         1.524566443       -0.7188541977    
O          2.792818575        -1.344434990        0.3272095879    
O          1.649419967        0.8301256911        -1.073474307    
O         -2.794103500       -0.4612323332        0.3277406270    
O          1.180212415        -2.673629455         2.229331372    
O         -1.630870692        -2.512192230         1.889286834    
H          1.630757473        -2.393896312         3.041866536    
H          3.179295659        -1.824612937       -0.4215630503    
H          2.384747814       -0.5094743201       -0.1469520186    
H         0.6432892491         1.076406378       -0.9347114758    
H         -1.708240225        0.7671056165       -0.3742586142    
H         -1.364132757         2.280247643       -0.1819935236    
H         -2.368229407        -1.184227024        0.9477579489    
H         -3.342760032        -1.005436498       -0.2582539570    
H          1.763498322        -2.216091930         1.493960144    
H        -0.5936325461        -2.561508534         2.007288952    
H         -1.965428444        -2.991001823         2.665189237    
H          2.039892795         1.661783172        -1.388245696    
    18
Energy=    -6256.64142507748    
O         -1.077515217         1.524601102       -0.7188311992    
O          2.792819250        -1.344315600        0.3273593196    
O          1.649353075        0.8300007744        -1.073614441    
O         -2.794115356       -0.4612060318        0.3278367608    
O          1.180190319        -2.673679820         2.229267760    
O         -1.630854541        -2.512313233         1.889137216    
H          1.630702471        -2.393954208         3.041825631    
H          3.179501773        -1.824500140       -0.4213019671    
H          2.384717662       -0.5094334210       -0.1469272074    
H         0.6432460213         1.076335234       -0.9347790744    
H         -1.708259148        0.7671759795       -0.3741828336    
H         -1.364070926         2.280330795       -0.1819909508    
H         -2.368200166        -1.184235529        0.9477949557    
H         -3.342763292        -1.005407530       -0.2581578425    
H          1.763466072        -2.216064898         1.493926015    
H        -0.5936096722        -2.561623009         2.007151388    
H         -1.965422267        -2.990865414         2.665190071    
H          2.039845927         1.661651505        -1.388379203    
    18
Energy=    -6256.64142853230    
O         -1.077537740         1.524662051       -0.7188042343    
O          2.792832626        -1.344094475        0.3276201185    
O          1.649216869        0.8297642337        -1.073893816    
O         -2.794119669       -0.4610993493        0.3280438654    
O          1.180192236        -2.673800791         2.229209083    
O         -1.630811887        -2.512528361         1.888841425    
H          1.630575295        -2.394006169         3.041813362    
H          3.179869245        -1.824265813       -0.4208640421    
H          2.384637130       -0.5093764004       -0.1468937708    
H         0.6431465464         1.076199631       -0.9349586378    
H         -1.708301776        0.7672950594       -0.3740607768    
H         -1.363973573         2.280465243       -0.1819960498    
H         -2.368123063        -1.184214598        0.9478542713    
H         -3.342848579        -1.005255825       -0.2579187899    
H          1.763471527        -2.216057357         1.493941779    
H        -0.5935679746        -2.561833977         2.006907705    
H         -1.965404769        -2.990754866         2.665081084    
H          2.039779539         1.661398321        -1.388598178    
    18
Energy=    -6256.64143152541    
O         -1.077665262         1.524790331       -0.7189216496    
O          2.792859054        -1.343745384        0.3279635160    
O          1.648975312        0.8294828951        -1.074192997    
O         -2.794027089       -0.4609548190        0.3282895660    
O          1.180194772        -2.674321634         2.228977230    
O         -1.630787924        -2.512815163         1.888583521    
H          1.630466800        -2.394531272         3.041632927    
H          3.180612636        -1.823749752       -0.4202596589    
H          2.384439855       -0.5091916541       -0.1466825757    
H         0.6429546720         1.076072208       -0.9352188623    
H         -1.708362310        0.7674607384       -0.3740418928    
H         -1.363968981         2.280680569       -0.1821588897    
H         -2.368022916        -1.184192862        0.9479450464    
H         -3.342854047        -1.004983218       -0.2576528001    
H          1.763468399        -2.216238590         1.493935497    
H        -0.5935406298        -2.562170900         2.006622841    
H         -1.965356740        -2.990185575         2.665347170    
H          2.039646382         1.661090638        -1.388843591    
    18
Energy=    -6256.64143714358    
O         -1.077624655         1.524794063       -0.7188513793    
O          2.792902644        -1.343659901        0.3280843504    
O          1.648919328        0.8293510016        -1.074397206    
O         -2.794041197       -0.4608359505        0.3284355006    
O          1.180243464        -2.674219185         2.229092632    
O         -1.630741321        -2.512904128         1.888363959    
H          1.630332437        -2.394264677         3.041793415    
H          3.180626818        -1.823720773       -0.4201116308    
H          2.384443286       -0.5092408038       -0.1467498277    
H         0.6429100918         1.075972922       -0.9353631000    
H         -1.708392598        0.7674916253       -0.3739550742    
H         -1.363870798         2.280670286       -0.1820477429    
H         -2.367968282        -1.184152890        0.9479608059    
H         -3.343049345        -1.004785622       -0.2574608828    
H          1.763554057        -2.216176708         1.494043533    
H        -0.5935127760        -2.562226919         2.006504487    
H         -1.965342770        -2.990539748         2.664955458    
H          2.039643599         1.660943964        -1.388972898    
    18
Energy=    -6256.64143964949    
O         -1.077624811         1.524785137       -0.7188821059    
O          2.792916936        -1.343652529        0.3280866366    
O          1.648907273        0.8293441797        -1.074412958    
O         -2.794018823       -0.4607851663        0.3284657297    
O          1.180275658        -2.674242734         2.229129684    
O         -1.630722598        -2.512895282         1.888354078    
H          1.630308967        -2.394247528         3.041841374    
H          3.180612214        -1.823692616       -0.4201325298    
H          2.384431737       -0.5092544576       -0.1467566325    
H         0.6428876612         1.075960558       -0.9354181567    
H         -1.708398655        0.7674813432       -0.3739826627    
H         -1.363889761         2.280642819       -0.1820696034    
H         -2.367940128        -1.184127239        0.9479498048    
H         -3.343141314        -1.004675760       -0.2574017719    
H          1.763609368        -2.216209223         1.494097633    
H        -0.5935029367        -2.562238032         2.006513406    
H         -1.965330536        -2.990642283         2.664874591    
H          2.039651732         1.660945369        -1.388932117    
    18
Energy=    -6256.64144166026    
O         -1.077646119         1.524790728       -0.7189393319    
O          2.792934160        -1.343626649        0.3281104840    
O          1.648874212        0.8293171761        -1.074442577    
O         -2.793987358       -0.4607214235        0.3285194898    
O          1.180308048        -2.674307358         2.229138565    
O         -1.630709908        -2.512913731         1.888338225    
H          1.630267508        -2.394253514         3.041867054    
H          3.180676828        -1.823633184       -0.4201080870    
H          2.384415351       -0.5092542420       -0.1467460875    
H         0.6428530977         1.075939427       -0.9354797865    
H         -1.708407760        0.7674808489       -0.3740159261    
H         -1.363906125         2.280628048       -0.1821038032    
H         -2.367918562        -1.184108945        0.9479525449    
H         -3.343218735        -1.004527542       -0.2573247477    
H          1.763656863        -2.216251131         1.494139436    
H        -0.5934945517        -2.562265144         2.006503393    
H         -1.965310382        -2.990720389         2.664824548    
H          2.039645416         1.660923580        -1.388908995    
    18
Energy=    -6256.64144094749    
O         -1.077652157         1.524801053       -0.7189466863    
O          2.792953218        -1.343573959        0.3281635296    
O          1.648833868        0.8292513117        -1.074499408    
O         -2.793935178       -0.4606601202        0.3285880845    
O          1.180295886        -2.674375954         2.229103253    
O         -1.630706138        -2.512941765         1.888333521    
H          1.630186861        -2.394271406         3.041842164    
H          3.180838278        -1.823521613       -0.4199952220    
H          2.384408992       -0.5092270934       -0.1467258771    
H         0.6428136515         1.075896111       -0.9355139508    
H         -1.708391913        0.7675028835       -0.3739948282    
H         -1.363918242         2.280633771       -0.1821094703    
H         -2.367909962        -1.184116712        0.9479657450    
H         -3.343245269        -1.004363028       -0.2573007751    
H          1.763691662        -2.216312835         1.494133524    
H        -0.5934953095        -2.562322185         2.006480583    
H         -1.965299656        -2.990761446         2.664816336    
H          2.039563390         1.660859542        -1.389016124    
    18
Energy=    -6256.64144237095    
O         -1.077670210         1.524803800       -0.7189955027    
O          2.792956102        -1.343567625        0.3281773088    
O          1.648822171        0.8292484446        -1.074504661    
O         -2.793936326       -0.4606394900        0.3286090605    
O          1.180311954        -2.674391352         2.229096961    
O         -1.630696724        -2.512954737         1.888328643    
H          1.630170214        -2.394268352         3.041851223    
H          3.180857721        -1.823524029       -0.4199821127    
H          2.384408744       -0.5092321503       -0.1467257815    
H         0.6428039574         1.075891559       -0.9355344559    
H         -1.708396451        0.7674951335       -0.3740151076    
H         -1.363915707         2.280626908       -0.1821368824    
H         -2.367910537        -1.184113189        0.9479715541    
H         -3.343284250        -1.004312429       -0.2572511900    
H          1.763695101        -2.216306134         1.494139681    
H        -0.5934794613        -2.562327505         2.006472356    
H         -1.965284507        -2.990794652         2.664798704    
H          2.039580192         1.660862356        -1.388975401    
    18
Energy=    -6256.64144250565    
O         -1.077679729         1.524812047       -0.7190157160    
O          2.792967155        -1.343551278        0.3282099176    
O          1.648806914        0.8292236858        -1.074528324    
O         -2.793931731       -0.4606218917        0.3286372211    
O          1.180308313        -2.674386217         2.229078324    
O         -1.630692134        -2.512977294         1.888319024    
H          1.630125765        -2.394227516         3.041845617    
H          3.180915834        -1.823518388       -0.4199251481    
H          2.384422033       -0.5092339754       -0.1467256849    
H         0.6427933475         1.075873601       -0.9355427591    
H         -1.708390758        0.7674980057       -0.3740083354    
H         -1.363893691         2.280622801       -0.1821226837    
H         -2.367918877        -1.184127404        0.9479785763    
H         -3.343312935        -1.004250624       -0.2572171065    
H          1.763688730        -2.216291774         1.494125017    
H        -0.5934672329        -2.562340272         2.006448356    
H         -1.965272086        -2.990843675         2.664775432    
H          2.039563066         1.660836724        -1.389007328    
    18
Energy=    -6256.64144213473    
O         -1.077682942         1.524816709       -0.7190217623    
O          2.792981951        -1.343531938        0.3282441398    
O          1.648794739        0.8291968017        -1.074553967    
O         -2.793925059       -0.4606073439        0.3286657494    
O          1.180297192        -2.674381050         2.229057251    
O         -1.630691224        -2.512997046         1.888311693    
H          1.630082010        -2.394195809         3.041834605    
H          3.180978663        -1.823502070       -0.4198645019    
H          2.384436337       -0.5092316969       -0.1467220393    
H         0.6427842100         1.075853014       -0.9355475176    
H         -1.708383250        0.7675041503       -0.3739935577    
H         -1.363873189         2.280621213       -0.1821058257    
H         -2.367926301        -1.184142148        0.9479867784    
H         -3.343331740        -1.004196150       -0.2571965091    
H          1.763682197        -2.216282595         1.494105169    
H        -0.5934612403        -2.562355227         2.006424345    
H         -1.965264592        -2.990880963         2.664759705    
H          2.039534223         1.660808709        -1.389059357    
    18
Energy=    -6256.64144236360    
O         -1.077679233         1.524816212       -0.7190206962    
O          2.793005052        -1.343511002        0.3282704147    
O          1.648789173        0.8291774933        -1.074575801    
O         -2.793928253       -0.4605922731        0.3286935155    
O          1.180287661        -2.674377222         2.229041794    
O         -1.630692917        -2.513011856         1.888303428    
H          1.630048230        -2.394181935         3.041829123    
H          3.181030999        -1.823482986       -0.4198179571    
H          2.384450617       -0.5092265596       -0.1467127744    
H         0.6427802555         1.075834756       -0.9355561450    
H         -1.708377481        0.7675091072       -0.3739799847    
H         -1.363861624         2.280621581       -0.1821013891    
H         -2.367931996        -1.184147025        0.9479993262    
H         -3.343357844        -1.004152123       -0.2571754381    
H          1.763679738        -2.216275791         1.494097872    
H        -0.5934603520        -2.562370185         2.006405420    
H         -1.965261279        -2.990918846         2.664739299    
H          2.039511238         1.660785210        -1.389115608    
    18
Energy=    -6256.64144327398    
O         -1.077660728         1.524794919       -0.7190091167    
O          2.793085370        -1.343449315        0.3283466928    
O          1.648787674        0.8291346858        -1.074631170    
O         -2.793953193       -0.4605561793        0.3287755877    
O          1.180257363        -2.674351375         2.229004196    
O         -1.630701062        -2.513056495         1.888275937    
H          1.629953654        -2.394143483         3.041825869    
H          3.181180229        -1.823434392       -0.4196983243    
H          2.384497227       -0.5092088288       -0.1466908770    
H         0.6427790337         1.075786206       -0.9355729016    
H         -1.708362784        0.7675115954       -0.3739452700    
H         -1.363806671         2.280615268       -0.1820840817    
H         -2.367963273        -1.184150167        0.9480328551    
H         -3.343446745        -1.004043801       -0.2571051027    
H          1.763672995        -2.216239601         1.494072685    
H        -0.5934658832        -2.562399795         2.006359828    
H         -1.965266474        -2.991037922         2.664665702    
H          2.039445249         1.660725235        -1.389298110    
    18
Energy=    -6256.64144502987    
O         -1.077646233         1.524762689       -0.7190136036    
O          2.793156743        -1.343404302        0.3283952022    
O          1.648804137        0.8291252603        -1.074642165    
O         -2.793991420       -0.4605290855        0.3288356530    
O          1.180232740        -2.674348508         2.228963606    
O         -1.630718054        -2.513083328         1.888252480    
H          1.629902432        -2.394167719         3.041808540    
H          3.181305531        -1.823379039       -0.4196186411    
H          2.384551871       -0.5091906133       -0.1466545792    
H         0.6427925534         1.075752723       -0.9355856806    
H         -1.708366762        0.7675055774       -0.3739283029    
H         -1.363786927         2.280607729       -0.1821237393    
H         -2.367982181        -1.184154407        0.9480596032    
H         -3.343553500        -1.003971299       -0.2570283104    
H          1.763670796        -2.216226976         1.494065497    
H        -0.5934786233        -2.562427472         2.006320893    
H         -1.965266259        -2.991074513         2.664642825    
H          2.039405140         1.660699840        -1.389424880    
    18
Energy=    -6256.64144856064    
O         -1.077624110         1.524686857       -0.7190382197    
O          2.793270329        -1.343335775        0.3284658994    
O          1.648846898        0.8291321737        -1.074641802    
O         -2.794067761       -0.4604844962        0.3289340575    
O          1.180201598        -2.674350274         2.228905055    
O         -1.630748898        -2.513124569         1.888210998    
H          1.629845396        -2.394246802         3.041791268    
H          3.181487937        -1.823292728       -0.4195212561    
H          2.384640588       -0.5091544903       -0.1466004644    
H         0.6428236355         1.075708040       -0.9356063060    
H         -1.708382473        0.7674803340       -0.3739154393    
H         -1.363759130         2.280594531       -0.1822351002    
H         -2.368027079        -1.184141733        0.9481027643    
H         -3.343742322        -1.003875485       -0.2568755125    
H          1.763679599        -2.216200061         1.494063791    
H        -0.5935073262        -2.562455898         2.006271002    
H         -1.965271318        -2.991125074         2.664605251    
H          2.039366420         1.660682008        -1.389591588    
    18
Energy=    -6256.64145499274    
O         -1.077575420         1.524471070       -0.7191186175    
O          2.793522217        -1.343155668        0.3286636744    
O          1.648965322        0.8291576291        -1.074643699    
O         -2.794248538       -0.4603691971        0.3291580873    
O          1.180130717        -2.674362887         2.228745894    
O         -1.630835114        -2.513218535         1.888099933    
H          1.629734228        -2.394501655         3.041733948    
H          3.181930007        -1.823068943       -0.4192570630    
H          2.384877121       -0.5090369827       -0.1464763835    
H         0.6429080216         1.075599404       -0.9356402410    
H         -1.708427592        0.7673903017       -0.3738865460    
H         -1.363674849         2.280528583       -0.1825085386    
H         -2.368172220        -1.184115839        0.9481898391    
H         -3.344229317        -1.003651929       -0.2564666613    
H          1.763725021        -2.216111744         1.494063822    
H        -0.5935891566        -2.562511693         2.006130813    
H         -1.965290840        -2.991193815         2.664538719    
H          2.039282375         1.660648456        -1.390002582    
    18
Energy=    -6256.64146156120    
O         -1.077641707         1.524238191       -0.7193461548    
O          2.793784018        -1.343024261        0.3288201530    
O          1.649113406        0.8292030716        -1.074545106    
O         -2.794485214       -0.4602720963        0.3294119325    
O          1.180169218        -2.674335501         2.228617849    
O         -1.630923978        -2.513342451         1.887963089    
H          1.629730808        -2.394729831         3.041718381    
H          3.182203142        -1.822922227       -0.4190734704    
H          2.385165878       -0.5089120102       -0.1463330920    
H         0.6430502257         1.075588909       -0.9356760195    
H         -1.708515056        0.7672310395       -0.3739918706    
H         -1.363646622         2.280403287       -0.1828472241    
H         -2.368309952        -1.184006755        0.9483262683    
H         -3.344855927        -1.003441358       -0.2559608577    
H          1.763835535        -2.216000900         1.494084627    
H        -0.5937152054        -2.562483926         2.005907586    
H         -1.965322566        -2.991300233         2.664446017    
H          2.039395980         1.660603608        -1.390197710    
    18
Energy=    -6256.64146071522    
O         -1.077579027         1.524249287       -0.7192723890    
O          2.793724357        -1.342992264        0.3288253667    
O          1.649079623        0.8291923225        -1.074587375    
O         -2.794423865       -0.4602569008        0.3293598885    
O          1.180127578        -2.674401146         2.228611826    
O         -1.630933178        -2.513300436         1.887988293    
H          1.629720855        -2.394781283         3.041684267    
H          3.182263415        -1.822869854       -0.4190578304    
H          2.385083212       -0.5088957040       -0.1463649863    
H         0.6430008280         1.075554346       -0.9356530320    
H         -1.708490032        0.7672696995       -0.3739135946    
H         -1.363644695         2.280427427       -0.1828289410    
H         -2.368318468        -1.184049392        0.9482940812    
H         -3.344701653        -1.003461325       -0.2560545124    
H          1.763814538        -2.216055030         1.494060692    
H        -0.5936961683        -2.562539059         2.005973062    
H         -1.965312377        -2.991202361         2.664506192    
H          2.039317041         1.660608228        -1.390246610    
    18
Energy=    -6256.64146047221    
O         -1.077582526         1.524270806       -0.7192671160    
O          2.793687676        -1.343017682        0.3288021107    
O          1.649072409        0.8291938850        -1.074579579    
O         -2.794398733       -0.4602661118        0.3293262815    
O          1.180133333        -2.674402851         2.228622219    
O         -1.630929625        -2.513277097         1.888018546    
H          1.629749829        -2.394761297         3.041674724    
H          3.182203700        -1.822893825       -0.4190966729    
H          2.385055714       -0.5089067721       -0.1463796077    
H         0.6429959342         1.075571005       -0.9356324729    
H         -1.708482035        0.7672775549       -0.3739147417    
H         -1.363678768         2.280441659       -0.1828251837    
H         -2.368309063        -1.184042803        0.9482873299    
H         -3.344631325        -1.003501289       -0.2560976652    
H          1.763809913        -2.216070658         1.494054188    
H        -0.5936933145        -2.562528829         2.005997381    
H         -1.965310721        -2.991203384         2.664522539    
H          2.039339585         1.660614245        -1.390187882    
    18
Energy=    -6256.64146010884    
O         -1.077588412         1.524252952       -0.7192888236    
O          2.793682431        -1.343003743        0.3288165099    
O          1.649080521        0.8291969128        -1.074564536    
O         -2.794399296       -0.4602553085        0.3293262797    
O          1.180135447        -2.674414939         2.228602824    
O         -1.630942524        -2.513262215         1.888031088    
H          1.629781061        -2.394797512         3.041647464    
H          3.182207252        -1.822872437       -0.4190849172    
H          2.385056505       -0.5088879250       -0.1463733215    
H         0.6430057385         1.075584355       -0.9356089227    
H         -1.708482726        0.7672562464       -0.3739278386    
H         -1.363702659         2.280421712       -0.1828528263    
H         -2.368321525        -1.184028539        0.9482970113    
H         -3.344638844        -1.003502294       -0.2560753724    
H          1.763819311        -2.216082275         1.494037984    
H        -0.5937065779        -2.562524494         2.005991181    
H         -1.965320025        -2.991187110         2.664538509    
H          2.039366307         1.660603171        -1.390187894    
    18
Energy=    -6256.64146008048    
O         -1.077590001         1.524231096       -0.7193085933    
O          2.793702603        -1.342981725        0.3288483103    
O          1.649089465        0.8291897747        -1.074553542    
O         -2.794414658       -0.4602287727        0.3293599797    
O          1.180127913        -2.674413961         2.228581720    
O         -1.630951064        -2.513263025         1.888021283    
H          1.629792524        -2.394814928         3.041623286    
H          3.182249557        -1.822833122       -0.4190520669    
H          2.385068666       -0.5088729216       -0.1463493014    
H         0.6430147865         1.075581365       -0.9355940262    
H         -1.708482124        0.7672370381       -0.3739360330    
H         -1.363713596         2.280400280       -0.1828764402    
H         -2.368335887        -1.184012066        0.9483189034    
H         -3.344676122        -1.003469144       -0.2560253476    
H          1.763822443        -2.216082183         1.494025731    
H        -0.5937154388        -2.562526758         2.005976277    
H         -1.965332901        -2.991213977         2.664511609    
H          2.039375818         1.660569585        -1.390247351    
    18
Energy=    -6256.64145931206    
O         -1.077585665         1.524176539       -0.7193501949    
O          2.793760856        -1.342930799        0.3289191419    
O          1.649108933        0.8291700415        -1.074520025    
O         -2.794455812       -0.4601702428        0.3294461931    
O          1.180112109        -2.674404743         2.228539008    
O         -1.630968831        -2.513268951         1.887982864    
H          1.629798685        -2.394836829         3.041580044    
H          3.182360844        -1.822746308       -0.4189749739    
H          2.385102961       -0.5088386077       -0.1462907394    
H         0.6430336345         1.075567872       -0.9355768139    
H         -1.708480043        0.7671939596       -0.3739548391    
H         -1.363716083         2.280343735       -0.1829205859    
H         -2.368360615        -1.183976586        0.9483730883    
H         -3.344786555        -1.003384428       -0.2558947226    
H          1.763818135        -2.216060409         1.493991761    
H        -0.5937325816        -2.562531493         2.005951631    
H         -1.965363317        -2.991294024         2.664421366    
H          2.039385329         1.660487829        -1.390397804    
    18
Energy=    -6256.64145935259    
O         -1.077587127         1.524175199       -0.7193549719    
O          2.793764625        -1.342923125        0.3289291562    
O          1.649107993        0.8291673717        -1.074521708    
O         -2.794454863       -0.4601639456        0.3294539389    
O          1.180108892        -2.674410203         2.228533049    
O         -1.630967833        -2.513269527         1.887981393    
H          1.629800326        -2.394849365         3.041573982    
H          3.182378480        -1.822732011       -0.4189648207    
H          2.385102594       -0.5088350749       -0.1462805909    
H         0.6430313089         1.075567903       -0.9355807520    
H         -1.708480096        0.7671913050       -0.3739575669    
H         -1.363713314         2.280339895       -0.1829200621    
H         -2.368361799        -1.183974830        0.9483769024    
H         -3.344792709        -1.003376121       -0.2558868149    
H          1.763813533        -2.216063519         1.493990255    
H        -0.5937320422        -2.562534095         2.005951528    
H         -1.965367350        -2.991293382         2.664418194    
H          2.039381363         1.660480081        -1.390416713    
    18
Energy=    -6256.64145911705    
O         -1.077584759         1.524167396       -0.7193598446    
O          2.793787169        -1.342912575        0.3289529151    
O          1.649105852        0.8291549456        -1.074514021    
O         -2.794462494       -0.4601385251        0.3294903632    
O          1.180101713        -2.674401232         2.228532220    
O         -1.630959067        -2.513275980         1.887956130    
H          1.629789598        -2.394835385         3.041573550    
H          3.182418946        -1.822705079       -0.4189406333    
H          2.385108455       -0.5088343406       -0.1462540588    
H         0.6430271791         1.075557829       -0.9355869650    
H         -1.708478238        0.7671853395       -0.3739598880    
H         -1.363706420         2.280324650       -0.1829122115    
H         -2.368357769        -1.183967552        0.9483872059    
H         -3.344835334        -1.003324942       -0.2558434995    
H          1.763807989        -2.216054971         1.493991678    
H        -0.5937231631        -2.562535782         2.005949796    
H         -1.965375645        -2.991348491         2.664354574    
H          2.039367971         1.660441253        -1.390492913    
    18
Energy=    -6256.64145882216    
O         -1.077586974         1.524170522       -0.7193619116    
O          2.793789676        -1.342917307        0.3289597500    
O          1.649099726        0.8291510347        -1.074507041    
O         -2.794461846       -0.4601280443        0.3295059668    
O          1.180102937        -2.674397140         2.228544668    
O         -1.630944148        -2.513275762         1.887938963    
H          1.629785732        -2.394824938         3.041586122    
H          3.182416240        -1.822705920       -0.4189381177    
H          2.385103949       -0.5088405499       -0.1462415756    
H         0.6430180625         1.075552591       -0.9355944232    
H         -1.708480773        0.7671925668       -0.3739543406    
H         -1.363700174         2.280330990       -0.1829137665    
H         -2.368347593        -1.183966632        0.9483871822    
H         -3.344849178        -1.003303498       -0.2558240267    
H          1.763805328        -2.216047611         1.494001756    
H        -0.5937073093        -2.562529928         2.005950071    
H         -1.965372975        -2.991387313         2.664307618    
H          2.039361303         1.660423495        -1.390522497    
    18
Energy=    -6256.64145846822    
O         -1.077591320         1.524173928       -0.7193641118    
O          2.793787660        -1.342917017        0.3289653386    
O          1.649093239        0.8291495725        -1.074498507    
O         -2.794457695       -0.4601229756        0.3295114358    
O          1.180106162        -2.674403100         2.228550356    
O         -1.630935430        -2.513268271         1.887934038    
H          1.629783934        -2.394829771         3.041593360    
H          3.182415339        -1.822705427       -0.4189329291    
H          2.385101166       -0.5088403595       -0.1462343714    
H         0.6430104149         1.075554969       -0.9356001529    
H         -1.708485247        0.7671983847       -0.3739504887    
H         -1.363691468         2.280335040       -0.1829123631    
H         -2.368337975        -1.183965671        0.9483846438    
H         -3.344854427        -1.003291843       -0.2558162349    
H          1.763804254        -2.216046059         1.494007417    
H        -0.5936979079        -2.562525468         2.005954182    
H         -1.965371334        -2.991408919         2.664281910    
H          2.039352617         1.660409543        -1.390549124    
    18
Energy=    -6256.64145815521    
O         -1.077598223         1.524184495       -0.7193673292    
O          2.793780366        -1.342918202        0.3289703908    
O          1.649084406        0.8291528063        -1.074489822    
O         -2.794450465       -0.4601216792        0.3295076496    
O          1.180111682        -2.674418696         2.228555144    
O         -1.630924932        -2.513255437         1.887936848    
H          1.629789886        -2.394854124         3.041600302    
H          3.182403300        -1.822707253       -0.4189288387    
H          2.385093459       -0.5088386992       -0.1462274129    
H         0.6430002155         1.075564233       -0.9356005672    
H         -1.708491347        0.7672095018       -0.3739464153    
H         -1.363691266         2.280346276       -0.1829138793    
H         -2.368326806        -1.183964529        0.9483783824    
H         -3.344847140        -1.003290888       -0.2558188617    
H          1.763806319        -2.216052414         1.494014734    
H        -0.5936876270        -2.562517610         2.005960615    
H         -1.965366964        -2.991418243         2.664268939    
H          2.039347119         1.660397020        -1.390575481    
    18
Energy=    -6256.64145794712    
O         -1.077610221         1.524198339       -0.7193673825    
O          2.793767605        -1.342917588        0.3289810819    
O          1.649073222        0.8291562102        -1.074477195    
O         -2.794443523       -0.4601175891        0.3295016330    
O          1.180118585        -2.674436605         2.228562717    
O         -1.630911692        -2.513233952         1.887941593    
H          1.629799352        -2.394884835         3.041611168    
H          3.182382914        -1.822710821       -0.4189210888    
H          2.385087112       -0.5088372063       -0.1462164457    
H         0.6429920318         1.075578055       -0.9355943899    
H         -1.708497937        0.7672231479       -0.3739413380    
H         -1.363691607         2.280362357       -0.1829118375    
H         -2.368315133        -1.183957582        0.9483712271    
H         -3.344836495        -1.003290867       -0.2558236637    
H          1.763811278        -2.216062014         1.494024280    
H        -0.5936730383        -2.562507429         2.005964637    
H         -1.965357837        -2.991440510         2.664246030    
H          2.039337367         1.660375444        -1.390626627    
    18
Energy=    -6256.64145790943    
O         -1.077617106         1.524207204       -0.7193738554    
O          2.793771407        -1.342905977        0.3289973015    
O          1.649066289        0.8291590458        -1.074466376    
O         -2.794442475       -0.4601131123        0.3294984167    
O          1.180123328        -2.674457856         2.228555700    
O         -1.630910721        -2.513220674         1.887949444    
H          1.629810625        -2.394933488         3.041609637    
H          3.182387915        -1.822698797       -0.4189041180    
H          2.385087313       -0.5088259541       -0.1462022594    
H         0.6429855760         1.075589352       -0.9355832822    
H         -1.708505657        0.7672322436       -0.3739426809    
H         -1.363688288         2.280368861       -0.1829108945    
H         -2.368313960        -1.183950012        0.9483714222    
H         -3.344831260        -1.003292190       -0.2558260747    
H          1.763816395        -2.216068813         1.494026967    
H        -0.5936733247        -2.562507196         2.005965652    
H         -1.965358825        -2.991439825         2.664246097    
H          2.039324752         1.660353745        -1.390686699    
    18
Energy=    -6256.64145826005    
O         -1.077626964         1.524226321       -0.7193802101    
O          2.793780083        -1.342886387        0.3290246442    
O          1.649054048        0.8291590199        -1.074453907    
O         -2.794443936       -0.4601027093        0.3294950505    
O          1.180129527        -2.674485279         2.228548354    
O         -1.630908558        -2.513206368         1.887957258    
H          1.629824977        -2.394997471         3.041610785    
H          3.182397677        -1.822679388       -0.4188752941    
H          2.385088509       -0.5088124410       -0.1461802646    
H         0.6429769125         1.075602870       -0.9355635367    
H         -1.708514041        0.7672491953       -0.3739490442    
H         -1.363682358         2.280379835       -0.1828973170    
H         -2.368315531        -1.183934674        0.9483737633    
H         -3.344824201        -1.003290677       -0.2558301744    
H          1.763826367        -2.216080286         1.494033516    
H        -0.5936726284        -2.562509682         2.005964723    
H         -1.965358570        -2.991450138         2.664238419    
H          2.039300670         1.660314816        -1.390792368    
    18
Energy=    -6256.64145876565    
O         -1.077634781         1.524250811       -0.7193853354    
O          2.793789824        -1.342868784        0.3290528988    
O          1.649037841        0.8291545191        -1.074440299    
O         -2.794447684       -0.4600873968        0.3294973309    
O          1.180136101        -2.674507197         2.228548290    
O         -1.630900538        -2.513197487         1.887956183    
H          1.629834078        -2.395046819         3.041619449    
H          3.182407326        -1.822662617       -0.4188456101    
H          2.385089371       -0.5088041306       -0.1461582825    
H         0.6429634919         1.075608893       -0.9355462276    
H         -1.708521476        0.7672726620       -0.3739599083    
H         -1.363667318         2.280393469       -0.1828747072    
H         -2.368316937        -1.183914585        0.9483788496    
H         -3.344818883        -1.003281898       -0.2558306671    
H          1.763836627        -2.216087972         1.494046171    
H        -0.5936658867        -2.562514159         2.005965096    
H         -1.965355119        -2.991481037         2.664210334    
H          2.039265945         1.660270283        -1.390909167    
    18
Energy=    -6256.64145911484    
O         -1.077636923         1.524270670       -0.7193856306    
O          2.793793402        -1.342865777        0.3290678988    
O          1.649023501        0.8291458920        -1.074432252    
O         -2.794450631       -0.4600718901        0.3295019070    
O          1.180142485        -2.674509925         2.228561780    
O         -1.630888070        -2.513197586         1.887941852    
H          1.629835456        -2.395050633         3.041636356    
H          3.182405931        -1.822662040       -0.4188315678    
H          2.385089755       -0.5088053633       -0.1461452906    
H         0.6429499767         1.075603706       -0.9355387644    
H         -1.708524241        0.7672920091       -0.3739676636    
H         -1.363649087         2.280402549       -0.1828487559    
H         -2.368316149        -1.183896020        0.9483818054    
H         -3.344818625        -1.003270632       -0.2558252037    
H          1.763842660        -2.216086714         1.494061976    
H        -0.5936543858        -2.562513767         2.005964885    
H         -1.965347823        -2.991526594         2.664164508    
H          2.039234750         1.660238671        -1.390983442    
    18
Energy=    -6256.64145941346    
O         -1.077637503         1.524271634       -0.7193909247    
O          2.793796818        -1.342866395        0.3290678196    
O          1.649024067        0.8291467784        -1.074428586    
O         -2.794453931       -0.4600678964        0.3295047311    
O          1.180144001        -2.674512093         2.228565127    
O         -1.630885993        -2.513195431         1.887943352    
H          1.629836616        -2.395052247         3.041639589    
H          3.182406625        -1.822660440       -0.4188343101    
H          2.385089588       -0.5088080231       -0.1461437982    
H         0.6429485466         1.075599246       -0.9355419398    
H         -1.708524512        0.7672943977       -0.3739732503    
H         -1.363648917         2.280403798       -0.1828534161    
H         -2.368317545        -1.183890742        0.9483831016    
H         -3.344824997        -1.003266490       -0.2558191236    
H          1.763845538        -2.216089727         1.494066169    
H        -0.5936516610        -2.562511157         2.005965712    
H         -1.965346406        -2.991539037         2.664156523    
H          2.039231648         1.660240380        -1.390982378    
    18
Energy=    -6256.64145936668    
O         -1.077636704         1.524271875       -0.7193884331    
O          2.793795862        -1.342868885        0.3290664181    
O          1.649023882        0.8291450388        -1.074429608    
O         -2.794453994       -0.4600685709        0.3295038934    
O          1.180143604        -2.674507422         2.228567191    
O         -1.630885818        -2.513196706         1.887940421    
H          1.629836045        -2.395043256         3.041640328    
H          3.182404551        -1.822663949       -0.4188357619    
H          2.385090743       -0.5088094098       -0.1461449082    
H         0.6429484474         1.075597468       -0.9355422014    
H         -1.708524184        0.7672945065       -0.3739715293    
H         -1.363646135         2.280402933       -0.1828483649    
H         -2.368317236        -1.183891372        0.9483823666    
H         -3.344823290        -1.003268499       -0.2558204948    
H          1.763843467        -2.216086892         1.494065750    
H        -0.5936516517        -2.562509729         2.005966047    
H         -1.965346025        -2.991541099         2.664153005    
H          2.039230419         1.660240523        -1.390979720    
    18
Energy=    -6256.64145933664    
O         -1.077636652         1.524271632       -0.7193871995    
O          2.793796577        -1.342870410        0.3290658238    
O          1.649022970        0.8291425091        -1.074430783    
O         -2.794454023       -0.4600679295        0.3295043983    
O          1.180143392        -2.674503962         2.228568521    
O         -1.630886062        -2.513197327         1.887938212    
H          1.629835381        -2.395036014         3.041640536    
H          3.182404784        -1.822665673       -0.4188364860    
H          2.385091927       -0.5088106957       -0.1461455016    
H         0.6429475064         1.075594697       -0.9355429151    
H         -1.708524595        0.7672946807       -0.3739697610    
H         -1.363644087         2.280402385       -0.1828455939    
H         -2.368317249        -1.183891428        0.9483820916    
H         -3.344822148        -1.003267809       -0.2558210055    
H          1.763842928        -2.216085535         1.494065582    
H        -0.5936520884        -2.562507821         2.005965572    
H         -1.965345404        -2.991544607         2.664149447    
H          2.039228827         1.660239863        -1.390976540    
    18
Energy=    -6256.64145933100    
O         -1.077637323         1.524271349       -0.7193861402    
O          2.793798209        -1.342872245        0.3290647361    
O          1.649021889        0.8291400881        -1.074430263    
O         -2.794455262       -0.4600678160        0.3295024457    
O          1.180143598        -2.674502602         2.228567928    
O         -1.630887303        -2.513193302         1.887940018    
H          1.629837444        -2.395033577         3.041638676    
H          3.182406566        -1.822666234       -0.4188383304    
H          2.385093190       -0.5088124168       -0.1461456485    
H         0.6429460282         1.075591359       -0.9355425391    
H         -1.708525887        0.7672949142       -0.3739684079    
H         -1.363643449         2.280401726       -0.1828434562    
H         -2.368318591        -1.183890037        0.9483817381    
H         -3.344818486        -1.003270697       -0.2558250033    
H          1.763842143        -2.216085621         1.494063327    
H        -0.5936534779        -2.562502551         2.005966661    
H         -1.965344515        -2.991545589         2.664149148    
H          2.039227211         1.660239809        -1.390970491    
    18
Energy=    -6256.64145928538    
O         -1.077638733         1.524271078       -0.7193824798    
O          2.793804972        -1.342872220        0.3290663766    
O          1.649017239        0.8291322338        -1.074431201    
O         -2.794459128       -0.4600649256        0.3295019494    
O          1.180144102        -2.674497933         2.228567622    
O         -1.630887604        -2.513188299         1.887938398    
H          1.629838325        -2.395027592         3.041637463    
H          3.182413656        -1.822666556       -0.4188359705    
H          2.385096837       -0.5088146572       -0.1461453930    
H         0.6429414816         1.075584085       -0.9355419097    
H         -1.708530490        0.7672964268       -0.3739652848    
H         -1.363638186         2.280400804       -0.1828348776    
H         -2.368321270        -1.183886998        0.9483804417    
H         -3.344816494        -1.003269232       -0.2558291269    
H          1.763844617        -2.216084595         1.494062751    
H        -0.5936540428        -2.562495962         2.005965111    
H         -1.965343951        -2.991551886         2.664141333    
H          2.039220654         1.660232784        -1.390970805    
    18
Energy=    -6256.64145930841    
O         -1.077642014         1.524270412       -0.7193820137    
O          2.793812760        -1.342872145        0.3290684450    
O          1.649013647        0.8291262013        -1.074428454    
O         -2.794467256       -0.4600632129        0.3294992085    
O          1.180145858        -2.674501129         2.228562512    
O         -1.630887811        -2.513174746         1.887943377    
H          1.629843484        -2.395036382         3.041632467    
H          3.182425417        -1.822662860       -0.4188342690    
H          2.385099793       -0.5088168383       -0.1461433423    
H         0.6429377011         1.075578516       -0.9355393180    
H         -1.708535729        0.7672977550       -0.3739645176    
H         -1.363639219         2.280400809       -0.1828348165    
H         -2.368327274        -1.183881297        0.9483809179    
H         -3.344816364        -1.003272782       -0.2558351725    
H          1.763847942        -2.216087588         1.494059121    
H        -0.5936540144        -2.562485693         2.005965404    
H         -1.965341826        -2.991550114         2.664140302    
H          2.039216889         1.660227650        -1.390965452    
    18
Energy=    -6256.64145935756    
O         -1.077647470         1.524270630       -0.7193770838    
O          2.793825503        -1.342870884        0.3290715745    
O          1.649004879        0.8291142562        -1.074426445    
O         -2.794482402       -0.4600587496        0.3294931757    
O          1.180150894        -2.674505150         2.228556126    
O         -1.630883628        -2.513153429         1.887948235    
H          1.629850671        -2.395050066         3.041628305    
H          3.182445517        -1.822659050       -0.4188287085    
H          2.385103257       -0.5088213673       -0.1461415540    
H         0.6429296844         1.075568879       -0.9355348353    
H         -1.708547439        0.7673008787       -0.3739636967    
H         -1.363640516         2.280402118       -0.1828285817    
H         -2.368336799        -1.183870562        0.9483776315    
H         -3.344818875        -1.003276968       -0.2558452446    
H          1.763856416        -2.216091304         1.494055614    
H        -0.5936497723        -2.562472393         2.005965533    
H         -1.965339435        -2.991545640         2.664134003    
H          2.039211497         1.660215357        -1.390959650    
    18
Energy=    -6256.64145932168    
O         -1.077651284         1.524270928       -0.7193730072    
O          2.793835247        -1.342872160        0.3290739639    
O          1.648999206        0.8291036695        -1.074425297    
O         -2.794497930       -0.4600566089        0.3294902760    
O          1.180154756        -2.674507756         2.228552250    
O         -1.630877064        -2.513135489         1.887947842    
H          1.629852238        -2.395056828         3.041626611    
H          3.182462942        -1.822657871       -0.4188242790    
H          2.385106215       -0.5088264790       -0.1461423113    
H         0.6429256501         1.075564250       -0.9355317209    
H         -1.708553973        0.7673023472       -0.3739637368    
H         -1.363643997         2.280401631       -0.1828242308    
H         -2.368346498        -1.183863669        0.9483762829    
H         -3.344831015        -1.003277699       -0.2558490253    
H          1.763865654        -2.216093084         1.494056221    
H        -0.5936423771        -2.562461361         2.005963184    
H         -1.965334739        -2.991542653         2.664123616    
H          2.039208952         1.660205388        -1.390952240    
    18
Energy=    -6256.64145934517    
O         -1.077650683         1.524271282       -0.7193714226    
O          2.793832055        -1.342873719        0.3290716458    
O          1.648999458        0.8291049785        -1.074426834    
O         -2.794497882       -0.4600574859        0.3294884352    
O          1.180155848        -2.674507740         2.228553931    
O         -1.630874488        -2.513136601         1.887946297    
H          1.629852043        -2.395056097         3.041628992    
H          3.182460711        -1.822660103       -0.4188257694    
H          2.385104028       -0.5088275942       -0.1461438281    
H         0.6429264360         1.075565390       -0.9355320644    
H         -1.708553637        0.7673015736       -0.3739648498    
H         -1.363646616         2.280402110       -0.1828238254    
H         -2.368345930        -1.183864271        0.9483741776    
H         -3.344832987        -1.003279062       -0.2558486815    
H          1.763865446        -2.216092515         1.494056899    
H        -0.5936399424        -2.562463558         2.005963832    
H         -1.965334439        -2.991537835         2.664124336    
H          2.039212562         1.660207805        -1.390946872    
    18
Energy=    -6256.64145933891    
O         -1.077649844         1.524271211       -0.7193703139    
O          2.793830125        -1.342875048        0.3290702194    
O          1.649000043        0.8291055834        -1.074428025    
O         -2.794497302       -0.4600579615        0.3294884424    
O          1.180155881        -2.674505816         2.228556138    
O         -1.630873308        -2.513139157         1.887943542    
H          1.629850647        -2.395051716         3.041631130    
H          3.182458448        -1.822662225       -0.4188269866    
H          2.385103362       -0.5088281992       -0.1461449962    
H         0.6429273114         1.075566038       -0.9355326298    
H         -1.708552704        0.7673008183       -0.3739649340    
H         -1.363646695         2.280401428       -0.1828222263    
H         -2.368345259        -1.183865510        0.9483731706    
H         -3.344834815        -1.003278390       -0.2558474856    
H          1.763865131        -2.216091348         1.494058200    
H        -0.5936388534        -2.562464982         2.005963429    
H         -1.965334140        -2.991537385         2.664122884    
H          2.039213958         1.660209215        -1.390945160    
    18
Energy=    -6256.64145933758    
O         -1.077649687         1.524271137       -0.7193698393    
O          2.793829964        -1.342875464        0.3290699616    
O          1.649000076        0.8291054302        -1.074428292    
O         -2.794497529       -0.4600579829        0.3294883896    
O          1.180155938        -2.674505143         2.228556835    
O         -1.630873019        -2.513139443         1.887942647    
H          1.629850462        -2.395050189         3.041631667    
H          3.182458045        -1.822662896       -0.4188272284    
H          2.385103476       -0.5088284514       -0.1461452221    
H         0.6429273669         1.075565942       -0.9355327534    
H         -1.708552633        0.7673006835       -0.3739647068    
H         -1.363646479         2.280401116       -0.1828213836    
H         -2.368345308        -1.183865654        0.9483728383    
H         -3.344835403        -1.003278263       -0.2558473376    
H          1.763865169        -2.216091150         1.494058572    
H        -0.5936385933        -2.562464737         2.005963156    
H         -1.965333885        -2.991537662         2.664121946    
H          2.039214021         1.660209283        -1.390944852    
    18
Energy=    -6256.64145933672    
O         -1.077649621         1.524271042       -0.7193696750    
O          2.793829901        -1.342875671        0.3290698738    
O          1.649000085        0.8291054324        -1.074428331    
O         -2.794497690       -0.4600580412        0.3294882076    
O          1.180155935        -2.674505053         2.228556979    
O         -1.630872940        -2.513139266         1.887942450    
H          1.629850615        -2.395050014         3.041631717    
H          3.182458068        -1.822663029       -0.4188273214    
H          2.385103528       -0.5088285538       -0.1461452281    
H         0.6429273658         1.075565841       -0.9355327272    
H         -1.708552608        0.7673005439       -0.3739646909    
H         -1.363646532         2.280400923       -0.1828211582    
H         -2.368345387        -1.183865650        0.9483726702    
H         -3.344835618        -1.003278380       -0.2558474146    
H          1.763865170        -2.216091314         1.494058577    
H        -0.5936385163        -2.562464424         2.005963041    
H         -1.965333715        -2.991537305         2.664121901    
H          2.039213943         1.660209475        -1.390944471    
    18
Energy=    -6256.64145933652    
O         -1.077649620         1.524271041       -0.7193696468    
O          2.793829971        -1.342875616        0.3290699674    
O          1.649000040        0.8291053630        -1.074428365    
O         -2.794497759       -0.4600579640        0.3294882088    
O          1.180155930        -2.674505080         2.228556992    
O         -1.630872933        -2.513139167         1.887942381    
H          1.629850581        -2.395050030         3.041631744    
H          3.182458209        -1.822662995       -0.4188271722    
H          2.385103542       -0.5088285666       -0.1461451954    
H         0.6429273145         1.075565819       -0.9355327471    
H         -1.708552619        0.7673005338       -0.3739647017    
H         -1.363646499         2.280400875       -0.1828210146    
H         -2.368345424        -1.183865560        0.9483726633    
H         -3.344835736        -1.003278358       -0.2558473142    
H          1.763865209        -2.216091368         1.494058615    
H        -0.5936385100        -2.562464302         2.005962906    
H         -1.965333589        -2.991537430         2.664121749    
H          2.039213875         1.660209360        -1.390944671    
    18
Energy=    -6256.64145933656    
O         -1.077649619         1.524271043       -0.7193696962    
O          2.793829934        -1.342875575        0.3290699950    
O          1.649000061        0.8291054258        -1.074428367    
O         -2.794497710       -0.4600579957        0.3294881602    
O          1.180155901        -2.674505193         2.228556909    
O         -1.630872966        -2.513139123         1.887942483    
H          1.629850623        -2.395050276         3.041631673    
H          3.182458257        -1.822662903       -0.4188271307    
H          2.385103504       -0.5088285278       -0.1461451662    
H         0.6429273338         1.075565853       -0.9355327468    
H         -1.708552594        0.7673005127       -0.3739647660    
H         -1.363646561         2.280400861       -0.1828210793    
H         -2.368345398        -1.183865560        0.9483726714    
H         -3.344835709        -1.003278415       -0.2558473185    
H          1.763865177        -2.216091432         1.494058563    
H        -0.5936385383        -2.562464320         2.005962916    
H         -1.965333591        -2.991537245         2.664121956    
H          2.039213880         1.660209428        -1.390944658    
    18
Energy=    -6256.64145933641    
O         -1.077649621         1.524271050       -0.7193697302    
O          2.793829921        -1.342875549        0.3290700108    
O          1.649000074        0.8291054573        -1.074428359    
O         -2.794497676       -0.4600580048        0.3294881492    
O          1.180155887        -2.674505250         2.228556866    
O         -1.630872981        -2.513139114         1.887942533    
H          1.629850629        -2.395050404         3.041631645    
H          3.182458273        -1.822662860       -0.4188271086    
H          2.385103484       -0.5088285047       -0.1461451515    
H         0.6429273460         1.075565877       -0.9355327468    
H         -1.708552586        0.7673005088       -0.3739648019    
H         -1.363646599         2.280400864       -0.1828211304    
H         -2.368345376        -1.183865557        0.9483726843    
H         -3.344835697        -1.003278433       -0.2558473014    
H          1.763865163        -2.216091454         1.494058542    
H        -0.5936385492        -2.562464344         2.005962921    
H         -1.965333594        -2.991537179         2.664122048    
H          2.039213887         1.660209453        -1.390944672    
