    18
Energy=    -6256.57151885685    
O         -1.042257958         1.497842988       -0.7090825118    
O          2.721406314        -1.405750459        0.1892057652    
O          1.736561527         1.008538361       -0.9012601065    
O         -2.789521476       -0.4404805050        0.4011567464    
O          1.176621347        -2.818693318         2.085935607    
O         -1.634368274        -2.416396883         2.058470828    
H          1.746275897        -2.703595760         2.862920300    
H          3.105440498        -1.814778003       -0.6023663956    
H          2.358168285       -0.4974603849       -0.1802464451    
H         0.7045122836         1.160873508       -0.8791946525    
H         -1.675040741        0.7783028542       -0.2916535227    
H         -1.638371491         2.021204885        -1.269257702    
H         -2.364129351        -1.121837350         1.065760656    
H         -3.273580791        -1.038476898       -0.1891124401    
H          1.726008678        -2.326186088         1.347094352    
H        -0.5997108396        -2.558294695         2.064358504    
H         -1.903718908        -2.717834602         2.941337078    
H          2.064736984         1.855518904       -0.5627416604    
    18
Energy=    -6256.57151885667    
O         -1.042257961         1.497842995       -0.7090825192    
O          2.721406310        -1.405750462        0.1892057553    
O          1.736561521         1.008538371       -0.9012600869    
O         -2.789521465       -0.4404805198        0.4011567304    
O          1.176621340        -2.818693327         2.085935589    
O         -1.634368277        -2.416396869         2.058470853    
H          1.746275905        -2.703595798         2.862920274    
H          3.105440516        -1.814777999       -0.6023664018    
H          2.358168285       -0.4974603851       -0.1802464464    
H         0.7045122755         1.160873512       -0.8791946387    
H         -1.675040743        0.7783028617       -0.2916535283    
H         -1.638371491         2.021204877        -1.269257730    
H         -2.364129340        -1.121837361         1.065760647    
H         -3.273580783        -1.038476914       -0.1891124496    
H          1.726008668        -2.326186093         1.347094336    
H        -0.5997108451        -2.558294697         2.064358517    
H         -1.903718906        -2.717834546         2.941337119    
H          2.064736975         1.855518912       -0.5627416241    
    18
Energy=    -6256.57151885404    
O         -1.042257948         1.497842939       -0.7090825227    
O          2.721406344        -1.405750491        0.1892057547    
O          1.736561512         1.008538340       -0.9012600793    
O         -2.789521524       -0.4404805095        0.4011567306    
O          1.176621340        -2.818693308         2.085935580    
O         -1.634368252        -2.416396837         2.058470804    
H          1.746275888        -2.703595671         2.862920263    
H          3.105440594        -1.814777991       -0.6023663938    
H          2.358168299       -0.4974604177       -0.1802464642    
H         0.7045122544         1.160873481       -0.8791946249    
H         -1.675040746        0.7783028061       -0.2916535212    
H         -1.638371481         2.021204909        -1.269257644    
H         -2.364129380        -1.121837348         1.065760638    
H         -3.273580859        -1.038476917       -0.1891124261    
H          1.726008683        -2.326186106         1.347094305    
H        -0.5997108158        -2.558294675         2.064358496    
H         -1.903718899        -2.717834505         2.941337069    
H          2.064736974         1.855518858       -0.5627415663    
    18
Energy=    -6256.57151885678    
O         -1.042257912         1.497842977       -0.7090823818    
O          2.721406342        -1.405750451        0.1892057448    
O          1.736561519         1.008538271       -0.9012602426    
O         -2.789521529       -0.4404804970        0.4011567351    
O          1.176621320        -2.818693222         2.085935610    
O         -1.634368318        -2.416396873         2.058470834    
H          1.746275853        -2.703595569         2.862920304    
H          3.105440714        -1.814777937       -0.6023663566    
H          2.358168257       -0.4974604172       -0.1802465195    
H         0.7045122774         1.160873420       -0.8791947168    
H         -1.675040697        0.7783028295       -0.2916534381    
H         -1.638371471         2.021204944        -1.269257481    
H         -2.364129437        -1.121837311         1.065760691    
H         -3.273580711        -1.038476920       -0.1891125305    
H          1.726008655        -2.326186056         1.347094318    
H        -0.5997108823        -2.558294644         2.064358518    
H         -1.903718967        -2.717834767         2.941337022    
H          2.064736971         1.855518778       -0.5627417118    
    18
Energy=    -6256.57151885694    
O         -1.042257853         1.497842975       -0.7090822393    
O          2.721406318        -1.405750463        0.1892057239    
O          1.736561531         1.008538234       -0.9012603432    
O         -2.789521551       -0.4404804663        0.4011567188    
O          1.176621332        -2.818693105         2.085935692    
O         -1.634368359        -2.416396950         2.058470746    
H          1.746275917        -2.703595358         2.862920336    
H          3.105440667        -1.814777970       -0.6023663674    
H          2.358168225       -0.4974604442       -0.1802465889    
H         0.7045122935         1.160873367       -0.8791947468    
H         -1.675040632        0.7783027724       -0.2916533670    
H         -1.638371427         2.021204931        -1.269257338    
H         -2.364129497        -1.121837268         1.065760695    
H         -3.273580648        -1.038476931       -0.1891125763    
H          1.726008635        -2.326185994         1.347094342    
H        -0.5997109144        -2.558294625         2.064358463    
H         -1.903718987        -2.717834854         2.941336939    
H          2.064736933         1.855518706       -0.5627416915    
    18
Energy=    -6256.57151885886    
O         -1.042257827         1.497843025       -0.7090822153    
O          2.721406259        -1.405750425        0.1892057975    
O          1.736561578         1.008538262       -0.9012603775    
O         -2.789521512       -0.4404804482        0.4011567366    
O          1.176621338        -2.818693128         2.085935722    
O         -1.634368408        -2.416397047         2.058470686    
H          1.746275986        -2.703595482         2.862920333    
H          3.105440432        -1.814777947       -0.6023663601    
H          2.358168233       -0.4974603795       -0.1802465096    
H         0.7045123458         1.160873354       -0.8791947788    
H         -1.675040596        0.7783027835       -0.2916533925    
H         -1.638371368         2.021204874        -1.269257448    
H         -2.364129455        -1.121837215         1.065760738    
H         -3.273580618        -1.038476988       -0.1891124818    
H          1.726008625        -2.326185969         1.347094392    
H        -0.5997109685        -2.558294690         2.064358363    
H         -1.903718928        -2.717834812         2.941336954    
H          2.064736866         1.855518787       -0.5627417590    
    18
Energy=    -6256.57151885956    
O         -1.042257826         1.497843070       -0.7090822445    
O          2.721406219        -1.405750403        0.1892058302    
O          1.736561602         1.008538323       -0.9012603364    
O         -2.789521466       -0.4404804609        0.4011567293    
O          1.176621340        -2.818693191         2.085935709    
O         -1.634368427        -2.416397062         2.058470699    
H          1.746276035        -2.703595666         2.862920297    
H          3.105440234        -1.814777958       -0.6023663877    
H          2.358168246       -0.4974603239       -0.1802464318    
H         0.7045123604         1.160873376       -0.8791947667    
H         -1.675040597        0.7783028099       -0.2916534496    
H         -1.638371318         2.021204829        -1.269257616    
H         -2.364129394        -1.121837195         1.065760761    
H         -3.273580573        -1.038477072       -0.1891124190    
H          1.726008622        -2.326185975         1.347094409    
H        -0.5997109934        -2.558294742         2.064358334    
H         -1.903718887        -2.717834697         2.941337025    
H          2.064736807         1.855518894       -0.5627417448    
    18
Energy=    -6256.57151885098    
O         -1.042257897         1.497843376       -0.7090822586    
O          2.721406034        -1.405750266        0.1892059379    
O          1.736561611         1.008538534       -0.9012603146    
O         -2.789521219       -0.4404805545        0.4011565653    
O          1.176621325        -2.818693617         2.085935526    
O         -1.634368485        -2.416396797         2.058471109    
H          1.746276058        -2.703596530         2.862920049    
H          3.105439767        -1.814778059       -0.6023663680    
H          2.358168136       -0.4974601512       -0.1802462843    
H         0.7045122466         1.160873599       -0.8791947836    
H         -1.675040618        0.7783029140       -0.2916535606    
H         -1.638371272         2.021204699        -1.269258092    
H         -2.364129170        -1.121837152         1.065760879    
H         -3.273579883        -1.038477470       -0.1891126739    
H          1.726008598        -2.326185965         1.347094411    
H        -0.5997110344        -2.558294837         2.064358443    
H         -1.903718853        -2.717834363         2.941337517    
H          2.064736639         1.855519195       -0.5627417039    
    18
Energy=    -6256.57151888146    
O         -1.042258310         1.497843029       -0.7090830157    
O          2.721406897        -1.405750922        0.1892059686    
O          1.736561245         1.008537848       -0.9012595198    
O         -2.789522112       -0.4404799885        0.4011571069    
O          1.176621744        -2.818693016         2.085935830    
O         -1.634367883        -2.416397055         2.058469804    
H          1.746276347        -2.703594861         2.862920555    
H          3.105440105        -1.814778330       -0.6023666549    
H          2.358168646       -0.4974608545       -0.1802459605    
H         0.7045121178         1.160872654       -0.8791945511    
H         -1.675041290        0.7783033222       -0.2916537969    
H         -1.638371513         2.021205249        -1.269258199    
H         -2.364129358        -1.121836547         1.065760644    
H         -3.273581323        -1.038476911       -0.1891117086    
H          1.726009193        -2.326186375         1.347094361    
H        -0.5997105461        -2.558294747         2.064357581    
H         -1.903718172        -2.717834251         2.941336297    
H          2.064736192         1.855518312       -0.5627403428    
    18
Energy=    -6256.57151889395    
O         -1.042258825         1.497844554       -0.7090832527    
O          2.721405575        -1.405751064        0.1892070373    
O          1.736560263         1.008536500       -0.9012602661    
O         -2.789522830       -0.4404790849        0.4011565696    
O          1.176623624        -2.818694499         2.085937899    
O         -1.634365521        -2.416396233         2.058468227    
H          1.746277321        -2.703591637         2.862922641    
H          3.105435204        -1.814779346       -0.6023671003    
H          2.358166556       -0.4974612195       -0.1802444665    
H         0.7045112973         1.160872848       -0.8791955400    
H         -1.675041220        0.7783057186       -0.2916518478    
H         -1.638372876         2.021205126        -1.269258831    
H         -2.364129377        -1.121835206         1.065759957    
H         -3.273580042        -1.038476216       -0.1891134357    
H          1.726010225        -2.326188112         1.347095684    
H        -0.5997081907        -2.558294501         2.064356509    
H         -1.903715967        -2.717836657         2.941333440    
H          2.064736766         1.855515585       -0.5627388260    
    18
Energy=    -6256.57151889125    
O         -1.042259688         1.497844258       -0.7090855259    
O          2.721405466        -1.405750786        0.1892079440    
O          1.736558917         1.008534608       -0.9012591996    
O         -2.789524334       -0.4404780122        0.4011556948    
O          1.176625293        -2.818696908         2.085938055    
O         -1.634363955        -2.416393491         2.058469070    
H          1.746279476        -2.703591284         2.862922037    
H          3.105436262        -1.814777562       -0.6023663803    
H          2.358164144       -0.4974617138       -0.1802439531    
H         0.7045101230         1.160872952       -0.8791956460    
H         -1.675041339        0.7783067952       -0.2916509106    
H         -1.638375670         2.021204381        -1.269259488    
H         -2.364130515        -1.121833803         1.065758788    
H         -3.273580330        -1.038474215       -0.1891162026    
H          1.726010813        -2.326190931         1.347094856    
H        -0.5997068124        -2.558292870         2.064356496    
H         -1.903713600        -2.717836602         2.941333720    
H          2.064737733         1.855511741       -0.5627349559    
    18
Energy=    -6256.57151890645    
O         -1.042259282         1.497839941       -0.7090921884    
O          2.721406395        -1.405747228        0.1892107248    
O          1.736560264         1.008534566       -0.9012555598    
O         -2.789523381       -0.4404767052        0.4011548880    
O          1.176625579        -2.818702097         2.085934502    
O         -1.634368110        -2.416392494         2.058475824    
H          1.746284236        -2.703599651         2.862915158    
H          3.105442531        -1.814768462       -0.6023631031    
H          2.358162910       -0.4974584797       -0.1802423604    
H         0.7045118205         1.160875746       -0.8791956462    
H         -1.675038623        0.7783021480       -0.2916537422    
H         -1.638381113         2.021200350        -1.269260691    
H         -2.364133284        -1.121834551         1.065757699    
H         -3.273585923        -1.038468030       -0.1891169412    
H          1.726008901        -2.326194660         1.347090736    
H        -0.5997114398        -2.558291430         2.064358793    
H         -1.903712472        -2.717834511         2.941342571    
H          2.064742972         1.855512105       -0.5627362658    
    18
Energy=    -6256.57151894656    
O         -1.042258695         1.497837383       -0.7090964922    
O          2.721407411        -1.405744338        0.1892122593    
O          1.736562221         1.008537261       -0.9012521897    
O         -2.789521659       -0.4404771899        0.4011543250    
O          1.176624456        -2.818705972         2.085930592    
O         -1.634371795        -2.416393164         2.058480246    
H          1.746286794        -2.703611645         2.862909532    
H          3.105444557        -1.814762818       -0.6023620559    
H          2.358164016       -0.4974549916       -0.1802402653    
H         0.7045135624         1.160878023       -0.8791952415    
H         -1.675037042        0.7782989760       -0.2916569586    
H         -1.638382570         2.021196173        -1.269264914    
H         -2.364133778        -1.121835742         1.065757602    
H         -3.273589729        -1.038466925       -0.1891149136    
H          1.726007503        -2.326196294         1.347088289    
H        -0.5997156320        -2.558292697         2.064359921    
H         -1.903711985        -2.717826028         2.941351618    
H          2.064744345         1.855516544       -0.5627369539    
    18
Energy=    -6256.57151888208    
O         -1.042263305         1.497841586       -0.7090949038    
O          2.721413023        -1.405744805        0.1892154973    
O          1.736557436         1.008531413       -0.9012399101    
O         -2.789525732       -0.4404768493        0.4011514226    
O          1.176624041        -2.818709194         2.085924776    
O         -1.634369550        -2.416384112         2.058481510    
H          1.746295655        -2.703633592         2.862899646    
H          3.105450054        -1.814757848       -0.6023616458    
H          2.358165139       -0.4974566377       -0.1802313552    
H         0.7045078972         1.160878010       -0.8791828941    
H         -1.675041248        0.7783005127       -0.2916589573    
H         -1.638385365         2.021188410        -1.269276159    
H         -2.364139082        -1.121834620         1.065755105    
H         -3.273589723        -1.038468692       -0.1891192385    
H          1.726010487        -2.326199271         1.347086649    
H        -0.5997154510        -2.558287753         2.064358388    
H         -1.903704988        -2.717805891         2.941357706    
H          2.064742695         1.855515889       -0.5627412389    
    18
Energy=    -6256.57151851284    
O         -1.042275800         1.497859593       -0.7090890489    
O          2.721413958        -1.405749964        0.1892258229    
O          1.736538708         1.008512348       -0.9012455771    
O         -2.789527847       -0.4404648730        0.4011546646    
O          1.176633710        -2.818714169         2.085932947    
O         -1.634354775        -2.416376919         2.058469401    
H          1.746299431        -2.703631364         2.862910876    
H          3.105467544        -1.814756340       -0.6023475647    
H          2.358158024       -0.4974639654       -0.1802243674    
H         0.7044916729         1.160868604       -0.8791829472    
H         -1.675050233        0.7783138691       -0.2916569710    
H         -1.638395202         2.021196636        -1.269282374    
H         -2.364136132        -1.121827813         1.065752581    
H         -3.273593533        -1.038449607       -0.1891213230    
H          1.726021068        -2.326203214         1.347093649    
H        -0.5996993742        -2.558284523         2.064349537    
H         -1.903698630        -2.717822992         2.941334213    
H          2.064739393         1.855491250       -0.5627491189    
    18
Energy=    -6256.57151826024    
O         -1.042284473         1.497866621       -0.7090884136    
O          2.721416965        -1.405751154        0.1892317988    
O          1.736528737         1.008505188       -0.9012401659    
O         -2.789532275       -0.4404629819        0.4011522690    
O          1.176635494        -2.818722126         2.085927822    
O         -1.634345561        -2.416365696         2.058466014    
H          1.746307067        -2.703656196         2.862904666    
H          3.105478713        -1.814752392       -0.6023410367    
H          2.358154405       -0.4974674148       -0.1802163284    
H         0.7044815529         1.160865204       -0.8791773126    
H         -1.675058647        0.7783196157       -0.2916585131    
H         -1.638399530         2.021193212        -1.269295150    
H         -2.364135980        -1.121824654         1.065749294    
H         -3.273593360        -1.038448423       -0.1891265954    
H          1.726024794        -2.326206582         1.347092506    
H        -0.5996906453        -2.558281128         2.064344904    
H         -1.903687436        -2.717795422         2.941337501    
H          2.064732163         1.855480886       -0.5627388603    
    18
Energy=    -6256.57151787475    
O         -1.042283568         1.497868565       -0.7090744788    
O          2.721409958        -1.405759449        0.1892272970    
O          1.736525245         1.008493639       -0.9012579757    
O         -2.789538124       -0.4404599204        0.4011560486    
O          1.176636322        -2.818706678         2.085940138    
O         -1.634335291        -2.416363257         2.058456189    
H          1.746296262        -2.703602012         2.862920282    
H          3.105480614        -1.814765038       -0.6023399445    
H          2.358146039       -0.4974794473       -0.1802273031    
H         0.7044797372         1.160859578       -0.8791844245    
H         -1.675060508        0.7783243528       -0.2916448320    
H         -1.638397905         2.021207205        -1.269269236    
H         -2.364138973        -1.121822952         1.065750609    
H         -3.273579454        -1.038444552       -0.1891386880    
H          1.726022474        -2.326198965         1.347095673    
H        -0.5996772607        -2.558271925         2.064345320    
H         -1.903689763        -2.717841468         2.941306631    
H          2.064736178         1.855458880       -0.5627369063    
    18
Energy=    -6256.57151755826    
O         -1.042280457         1.497856688       -0.7090793688    
O          2.721404479        -1.405753931        0.1892263929    
O          1.736532344         1.008503180       -0.9012611607    
O         -2.789536091       -0.4404678098        0.4011515333    
O          1.176626171        -2.818705782         2.085928707    
O         -1.634338527        -2.416364342         2.058463960    
H          1.746297439        -2.703627145         2.862906131    
H          3.105480123        -1.814759472       -0.6023388405    
H          2.358143880       -0.4974733213       -0.1802290233    
H         0.7044864572         1.160864324       -0.8791900060    
H         -1.675058426        0.7783140777       -0.2916466750    
H         -1.638397578         2.021198116        -1.269266948    
H         -2.364139809        -1.121829282         1.065750314    
H         -3.273575422        -1.038450391       -0.1891461959    
H          1.726010760        -2.326191782         1.347085608    
H        -0.5996793788        -2.558272971         2.064347448    
H         -1.903680688        -2.717803594         2.941332903    
H          2.064736707         1.855459994       -0.5627103810    
    18
Energy=    -6256.57151735340    
O         -1.042281397         1.497877336       -0.7090658940    
O          2.721407279        -1.405759224        0.1892331558    
O          1.736518001         1.008466609       -0.9013097327    
O         -2.789530680       -0.4404492479        0.4011604859    
O          1.176639203        -2.818697842         2.085960571    
O         -1.634319774        -2.416364309         2.058451479    
H          1.746271774        -2.703547968         2.862956523    
H          3.105499370        -1.814769998       -0.6023167555    
H          2.358132467       -0.4974908014       -0.1802436697    
H         0.7044744545         1.160848131       -0.8792232887    
H         -1.675073407        0.7783365833       -0.2916310179    
H         -1.638413046         2.021260077        -1.269204487    
H         -2.364134030        -1.121812719         1.065754124    
H         -3.273543505        -1.038432404       -0.1891618872    
H          1.726013686        -2.326194919         1.347105814    
H        -0.5996610871        -2.558262339         2.064354750    
H         -1.903699119        -2.717932445         2.941263002    
H          2.064731796         1.855422036       -0.5627587751    
    18
Energy=    -6256.57151773190    
O         -1.042321953         1.497903015       -0.7090688308    
O          2.721450113        -1.405760906        0.1892767075    
O          1.736466089         1.008425257       -0.9012969452    
O         -2.789575812       -0.4404255016        0.4011589909    
O          1.176664394        -2.818760221         2.085947488    
O         -1.634281851        -2.416300971         2.058426310    
H          1.746298781        -2.703620189         2.862941424    
H          3.105599851        -1.814755273       -0.6022558315    
H          2.358132058       -0.4975240770       -0.1802227925    
H         0.7044257017         1.160820168       -0.8792201806    
H         -1.675113925        0.7783731565       -0.2916330916    
H         -1.638433776         2.021295058        -1.269218834    
H         -2.364139778        -1.121773512         1.065741573    
H         -3.273560707        -1.038437244       -0.1891561219    
H          1.726045594        -2.326229640         1.347115239    
H        -0.5996231939        -2.558235355         2.064347318    
H         -1.903688221        -2.717884842         2.941225030    
H          2.064688617         1.855387632       -0.5627830541    
    18
Energy=    -6256.57151800359    
O         -1.042343305         1.497925264       -0.7090764552    
O          2.721473626        -1.405754231        0.1893042200    
O          1.736438395         1.008401251       -0.9012947820    
O         -2.789586316       -0.4404106266        0.4011554867    
O          1.176681417        -2.818798787         2.085944405    
O         -1.634265303        -2.416275163         2.058416763    
H          1.746311348        -2.703684950         2.862944875    
H          3.105644726        -1.814742761       -0.6022197371    
H          2.358135034       -0.4975305229       -0.1802062417    
H         0.7043995694         1.160806436       -0.8792257843    
H         -1.675137568        0.7783955826       -0.2916430654    
H         -1.638453042         2.021320737        -1.269226692    
H         -2.364136702        -1.121750592         1.065736988    
H         -3.273566869        -1.038435771       -0.1891505521    
H          1.726066075        -2.326253700         1.347126162    
H        -0.5996103722        -2.558230765         2.064338789    
H         -1.903680117        -2.717860130         2.941212449    
H          2.064661387         1.855375285       -0.5628124287    
    18
Energy=    -6256.57151802458    
O         -1.042358394         1.497946141       -0.7090717813    
O          2.721488451        -1.405755484        0.1893188099    
O          1.736416957         1.008381861       -0.9012907496    
O         -2.789592042       -0.4404002932        0.4011546802    
O          1.176696033        -2.818813331         2.085948620    
O         -1.634255833        -2.416259938         2.058404082    
H          1.746319715        -2.703705514         2.862954201    
H          3.105665576        -1.814745738       -0.6022012544    
H          2.358138415       -0.4975371834       -0.1801978968    
H         0.7043775006         1.160792802       -0.8792155651    
H         -1.675152668        0.7784146120       -0.2916439714    
H         -1.638462147         2.021336976        -1.269233011    
H         -2.364132864        -1.121737302         1.065732101    
H         -3.273570050        -1.038433110       -0.1891464130    
H          1.726088183        -2.326266305         1.347138441    
H        -0.5996043056        -2.558227753         2.064326039    
H         -1.903678494        -2.717859740         2.941191651    
H          2.064647951         1.855365857       -0.5628435843    
    18
Energy=    -6256.57151825184    
O         -1.042366887         1.497958778       -0.7090771292    
O          2.721494781        -1.405759116        0.1893228469    
O          1.736404807         1.008373199       -0.9012795832    
O         -2.789595815       -0.4403950728        0.4011492546    
O          1.176705548        -2.818826751         2.085953788    
O         -1.634246504        -2.416251725         2.058397441    
H          1.746325547        -2.703723954         2.862962257    
H          3.105678176        -1.814743874       -0.6021981259    
H          2.358144678       -0.4975395670       -0.1801879432    
H         0.7043666707         1.160789732       -0.8792100439    
H         -1.675158797        0.7784233146       -0.2916539720    
H         -1.638471560         2.021345383        -1.269241596    
H         -2.364132533        -1.121728591         1.065729010    
H         -3.273584975        -1.038430523       -0.1891392755    
H          1.726102424        -2.326282951         1.347146220    
H        -0.5995970168        -2.558230082         2.064320289    
H         -1.903674337        -2.717847074         2.941184664    
H          2.064637777         1.855365430       -0.5628537040    
    18
Energy=    -6256.57151821468    
O         -1.042370832         1.497967818       -0.7090737546    
O          2.721495558        -1.405763408        0.1893223045    
O          1.736397910         1.008367063       -0.9012772614    
O         -2.789596062       -0.4403921519        0.4011482234    
O          1.176710850        -2.818825902         2.085960373    
O         -1.634242466        -2.416249188         2.058391864    
H          1.746326315        -2.703718069         2.862971622    
H          3.105678074        -1.814748760       -0.6021995865    
H          2.358146425       -0.4975417279       -0.1801862532    
H         0.7043593227         1.160785694       -0.8792027901    
H         -1.675161781        0.7784305712       -0.2916536481    
H         -1.638473567         2.021349967        -1.269244147    
H         -2.364130697        -1.121725101         1.065727212    
H         -3.273586507        -1.038428229       -0.1891385087    
H          1.726112588        -2.326287934         1.347152838    
H        -0.5995939978        -2.558230234         2.064314805    
H         -1.903674910        -2.717855788         2.941173977    
H          2.064635762         1.855361937       -0.5628628702    
    18
Energy=    -6256.57151818961    
O         -1.042371354         1.497971805       -0.7090705410    
O          2.721492944        -1.405769417        0.1893176171    
O          1.736395363         1.008363262       -0.9012767976    
O         -2.789596665       -0.4403913793        0.4011465476    
O          1.176714551        -2.818821091         2.085968698    
O         -1.634238750        -2.416248931         2.058387063    
H          1.746324985        -2.703697173         2.862981307    
H          3.105674123        -1.814755865       -0.6022051280    
H          2.358146959       -0.4975453337       -0.1801884287    
H         0.7043569130         1.160783749       -0.8791988095    
H         -1.675161778        0.7784331914       -0.2916528993    
H         -1.638474618         2.021356373        -1.269237988    
H         -2.364130168        -1.121723958         1.065725447    
H         -3.273587180        -1.038427243       -0.1891399347    
H          1.726117796        -2.326291014         1.347157209    
H        -0.5995902582        -2.558228959         2.064313385    
H         -1.903677150        -2.717869693         2.941162470    
H          2.064636271         1.855358235       -0.5628648178    
    18
Energy=    -6256.57151808783    
O         -1.042370259         1.497975492       -0.7090651572    
O          2.721486086        -1.405778535        0.1893091195    
O          1.736394195         1.008357039       -0.9012817022    
O         -2.789597107       -0.4403896166        0.4011461456    
O          1.176719177        -2.818809884         2.085983062    
O         -1.634233745        -2.416249904         2.058380592    
H          1.746319822        -2.703654219         2.862998595    
H          3.105666038        -1.814767644       -0.6022133938    
H          2.358144937       -0.4975510751       -0.1801956740    
H         0.7043557410         1.160780093       -0.8791967089    
H         -1.675160926        0.7784366324       -0.2916493454    
H         -1.638475477         2.021369182        -1.269221692    
H         -2.364127984        -1.121721875         1.065723350    
H         -3.273582541        -1.038425568       -0.1891441168    
H          1.726123287        -2.326293107         1.347162960    
H        -0.5995845000        -2.558224571         2.064314418    
H         -1.903683799        -2.717905904         2.941141049    
H          2.064639040         1.855350023       -0.5628671013    
    18
Energy=    -6256.57151792805    
O         -1.042367858         1.497976371       -0.7090583360    
O          2.721475351        -1.405794537        0.1892942278    
O          1.736395139         1.008350249       -0.9012848617    
O         -2.789599606       -0.4403894619        0.4011431264    
O          1.176726182        -2.818792192         2.086003525    
O         -1.634226377        -2.416250522         2.058370397    
H          1.746315909        -2.703584560         2.863019618    
H          3.105651489        -1.814789512       -0.6022265489    
H          2.358141316       -0.4975623498       -0.1802085951    
H         0.7043572086         1.160776365       -0.8791928172    
H         -1.675158915        0.7784370947       -0.2916455399    
H         -1.638477421         2.021388887        -1.269192392    
H         -2.364124970        -1.121721340         1.065717741    
H         -3.273577489        -1.038426866       -0.1891510906    
H          1.726127134        -2.326294941         1.347168151    
H        -0.5995754254        -2.558215636         2.064318194    
H         -1.903693204        -2.717950474         2.941111215    
H          2.064643519         1.855339980       -0.5628616162    
    18
Energy=    -6256.57151779381    
O         -1.042371329         1.497967222       -0.7090708591    
O          2.721475181        -1.405806040        0.1892796719    
O          1.736401299         1.008353845       -0.9012750363    
O         -2.789616533       -0.4403833749        0.4011429090    
O          1.176727878        -2.818789616         2.086003063    
O         -1.634226553        -2.416241600         2.058370967    
H          1.746326900        -2.703584027         2.863013519    
H          3.105651447        -1.814792313       -0.6022280434    
H          2.358140124       -0.4975658314       -0.1802093269    
H         0.7043640331         1.160778274       -0.8791842673    
H         -1.675155551        0.7784341675       -0.2916502261    
H         -1.638481818         2.021382809        -1.269198513    
H         -2.364127378        -1.121719154         1.065715682    
H         -3.273582630        -1.038430559       -0.1891465837    
H          1.726129492        -2.326302558         1.347171115    
H        -0.5995714661        -2.558202179         2.064325997    
H         -1.903695888        -2.717955688         2.941109324    
H          2.064644775         1.855353181       -0.5628449951    
    18
Energy=    -6256.57151797266    
O         -1.042349542         1.498006667       -0.7090259532    
O          2.721440548        -1.405822974        0.1892744571    
O          1.736393937         1.008284380       -0.9013993256    
O         -2.789602382       -0.4403300558        0.4012014306    
O          1.176751533        -2.818718488         2.086120598    
O         -1.634195803        -2.416289856         2.058322088    
H          1.746223453        -2.703258462         2.863186029    
H          3.105643733        -1.814826826       -0.6022299825    
H          2.358118918       -0.4975933787       -0.1802524959    
H         0.7043633955         1.160747497       -0.8792619255    
H         -1.675149280        0.7784824087       -0.2916024195    
H         -1.638480848         2.021503794        -1.269057895    
H         -2.364118998        -1.121678865         1.065741375    
H         -3.273543621        -1.038355361       -0.1891363163    
H          1.726159876        -2.326299594         1.347233820    
H        -0.5995329358        -2.558191753         2.064337534    
H         -1.903771400        -2.718432960         2.940882673    
H          2.064681401         1.855270385       -0.5630092934    
    18
Energy=    -6256.57151870174    
O         -1.042338617         1.498042330       -0.7090142078    
O          2.721476115        -1.405778066        0.1893253091    
O          1.736383068         1.008223398       -0.9015376041    
O         -2.789616443       -0.4402189593        0.4013355393    
O          1.176750346        -2.818707215         2.086168006    
O         -1.634201108        -2.416348254         2.058290675    
H          1.746103728        -2.703170495         2.863306976    
H          3.105747315        -1.814743751       -0.6021591797    
H          2.358115279       -0.4975828936       -0.1802379897    
H         0.7043596100         1.160722650       -0.8793611988    
H         -1.675143933        0.7785530447       -0.2915428292    
H         -1.638456550         2.021511441        -1.269085519    
H         -2.364143619        -1.121618688         1.065820386    
H         -3.273560017        -1.038209724       -0.1890367940    
H          1.726201871        -2.326291752         1.347317142    
H        -0.5995290195        -2.558204001         2.064326810    
H         -1.903834070        -2.718923376         2.940691132    
H          2.064718028         1.855240867       -0.5632822544    
    18
Energy=    -6256.57151861936    
O         -1.042335846         1.498048016       -0.7090151615    
O          2.721485877        -1.405756420        0.1893450605    
O          1.736378840         1.008218008       -0.9015675964    
O         -2.789618536       -0.4401970481        0.4013637728    
O          1.176749040        -2.818713662         2.086163746    
O         -1.634205500        -2.416360236         2.058283681    
H          1.746079334        -2.703186609         2.863319380    
H          3.105772384        -1.814720813       -0.6021315764    
H          2.358116207       -0.4975750732       -0.1802328135    
H         0.7043565893         1.160717559       -0.8793778916    
H         -1.675143085        0.7785627190       -0.2915321993    
H         -1.638452122         2.021502706        -1.269101575    
H         -2.364146989        -1.121609330         1.065838522    
H         -3.273569692        -1.038180360       -0.1890116554    
H          1.726210190        -2.326287186         1.347332853    
H        -0.5995316970        -2.558214268         2.064318637    
H         -1.903839659        -2.718987759         2.940666854    
H          2.064726647         1.855236313       -0.5633376397    
    18
Energy=    -6256.57151877131    
O         -1.042343386         1.498065651       -0.7090133315    
O          2.721556880        -1.405700523        0.1894014651    
O          1.736365310         1.008207372       -0.9015914718    
O         -2.789630344       -0.4401470102        0.4014408362    
O          1.176725379        -2.818766316         2.086112858    
O         -1.634232884        -2.416379225         2.058300666    
H          1.746027327        -2.703362339         2.863307403    
H          3.105882705        -1.814606790       -0.6020874838    
H          2.358136643       -0.4975416082       -0.1801800463    
H         0.7043435904         1.160720649       -0.8794060734    
H         -1.675150968        0.7786054898       -0.2914994623    
H         -1.638415871         2.021395672        -1.269260501    
H         -2.364184668        -1.121587903         1.065897859    
H         -3.273606852        -1.038100357       -0.1889424907    
H          1.726223130        -2.326276034         1.347353335    
H        -0.5995660195        -2.558248463         2.064282831    
H         -1.903824199        -2.719049209         2.940680383    
H          2.064726211         1.855267499       -0.5634723776    
    18
Energy=    -6256.57151871044    
O         -1.042353291         1.498063188       -0.7090238826    
O          2.721602628        -1.405659440        0.1894334994    
O          1.736358004         1.008229875       -0.9015674082    
O         -2.789636483       -0.4401432162        0.4014574082    
O          1.176709923        -2.818819218         2.086040221    
O         -1.634258310        -2.416370992         2.058325634    
H          1.746028651        -2.703571089         2.863245449    
H          3.105941681        -1.814538458       -0.6020649256    
H          2.358152795       -0.4975142672       -0.1801455948    
H         0.7043337141         1.160730353       -0.8793913314    
H         -1.675160608        0.7786106188       -0.2914975026    
H         -1.638397280         2.021292389        -1.269392425    
H         -2.364205647        -1.121589992         1.065922270    
H         -3.273636524        -1.038086370       -0.1889160975    
H          1.726223237        -2.326264164         1.347340212    
H        -0.5996011981        -2.558275490         2.064252371    
H         -1.903782113        -2.718897129         2.940773282    
H          2.064712805         1.855299959       -0.5634667801    
    18
Energy=    -6256.57151841296    
O         -1.042364306         1.498056230       -0.7090324434    
O          2.721629574        -1.405639002        0.1894357203    
O          1.736350886         1.008267093       -0.9015105385    
O         -2.789642177       -0.4401697663        0.4014337327    
O          1.176697245        -2.818866839         2.085968066    
O         -1.634276575        -2.416342666         2.058361823    
H          1.746052415        -2.703777952         2.863172587    
H          3.105958994        -1.814495534       -0.6020842598    
H          2.358163785       -0.4974940273       -0.1801261075    
H         0.7043229266         1.160747366       -0.8793509270    
H         -1.675171591        0.7786013127       -0.2915095783    
H         -1.638381661         2.021192400        -1.269511484    
H         -2.364220361        -1.121605251         1.065923533    
H         -3.273645799        -1.038115528       -0.1889305729    
H          1.726220129        -2.326259707         1.347315363    
H        -0.5996314588        -2.558291302         2.064228371    
H         -1.903721304        -2.718639885         2.940908711    
H          2.064691262         1.855329612       -0.5633675980    
    18
Energy=    -6256.57151740318    
O         -1.042371333         1.498044355       -0.7090336493    
O          2.721638908        -1.405635952        0.1894173526    
O          1.736343821         1.008300188       -0.9014533079    
O         -2.789651893       -0.4402061504        0.4013926776    
O          1.176690719        -2.818894460         2.085910975    
O         -1.634285927        -2.416306234         2.058394908    
H          1.746074323        -2.703918866         2.863116526    
H          3.105949208        -1.814478485       -0.6021292813    
H          2.358167288       -0.4974837136       -0.1801272388    
H         0.7043141213         1.160760682       -0.8793038609    
H         -1.675183509        0.7785815884       -0.2915234447    
H         -1.638366734         2.021121534        -1.269584215    
H         -2.364229984        -1.121623522         1.065911533    
H         -3.273634049        -1.038164063       -0.1889704293    
H          1.726219707        -2.326258782         1.347292452    
H        -0.5996503280        -2.558292234         2.064213676    
H         -1.903664810        -2.718392277         2.941031709    
H          2.064672454         1.855342948       -0.5632319846    
    18
Energy=    -6256.57151594720    
O         -1.042372727         1.498009098       -0.7092148145    
O          2.721680407        -1.405410956        0.1896426987    
O          1.736353562         1.008344759       -0.9015899660    
O         -2.789589974       -0.4401368953        0.4015078525    
O          1.176623399        -2.819070073         2.085774690    
O         -1.634341694        -2.416366641         2.058420464    
H          1.746119101        -2.704576717         2.862956133    
H          3.106143501        -1.814275959       -0.6017886271    
H          2.358187539       -0.4973264269       -0.1800119174    
H         0.7043116395         1.160751857       -0.8794319641    
H         -1.675144280        0.7785844077       -0.2915914137    
H         -1.638439288         2.021040525        -1.269744342    
H         -2.364198520        -1.121582068         1.066014431    
H         -3.273769642        -1.038035417       -0.1887519964    
H          1.726197934        -2.326232153         1.347287210    
H        -0.5997144251        -2.558369863         2.064195154    
H         -1.903669562        -2.718282484         2.941122859    
H          2.064655012         1.855431563       -0.5634720526    
    18
Energy=    -6256.57151107530    
O         -1.042369328         1.497913716       -0.7094348330    
O          2.721762308        -1.405162711        0.1899293359    
O          1.736366026         1.008350100       -0.9017529491    
O         -2.789560470       -0.4400433509        0.4016545552    
O          1.176527452        -2.819228448         2.085572685    
O         -1.634410094        -2.416392511         2.058472907    
H          1.746138725        -2.705262990         2.862748752    
H          3.106409988        -1.814048708       -0.6014146929    
H          2.358239766       -0.4971347322       -0.1798727388    
H         0.7043229902         1.160720180       -0.8795699156    
H         -1.675118892        0.7785541652       -0.2916564101    
H         -1.638507566         2.020993230        -1.269847484    
H         -2.364190366        -1.121515151         1.066150366    
H         -3.273871388        -1.037900874       -0.1885228567    
H          1.726159917        -2.326205637         1.347252614    
H        -0.5997790980        -2.558419888         2.064204487    
H         -1.903709343        -2.718246413         2.941198551    
H          2.064621356         1.855526580       -0.5637879724    
    18
Energy=    -6256.57150211532    
O         -1.042355073         1.497857503       -0.7096168486    
O          2.721878030        -1.404913647        0.1902911393    
O          1.736385805         1.008251046       -0.9020428688    
O         -2.789521170       -0.4398374223        0.4019352509    
O          1.176431729        -2.819290367         2.085481253    
O         -1.634483019        -2.416515094         2.058442427    
H          1.746096662        -2.705628560         2.862651694    
H          3.106752953        -1.813841184       -0.6009093816    
H          2.358313609       -0.4969698711       -0.1796983451    
H         0.7043485597         1.160643564       -0.8797981996    
H         -1.675078605        0.7785815314       -0.2916564003    
H         -1.638584497         2.021085902        -1.269814727    
H         -2.364177256        -1.121402531         1.066332021    
H         -3.274010768        -1.037626313       -0.1881765779    
H          1.726112255        -2.326158764         1.347264280    
H        -0.5998182661        -2.558484895         2.064229685    
H         -1.903896564        -2.718859240         2.940966638    
H          2.064637599         1.855604899       -0.5645566403    
    18
Energy=    -6256.57149927415    
O         -1.042356022         1.497854368       -0.7096424435    
O          2.721925769        -1.404881833        0.1903716354    
O          1.736390663         1.008207981       -0.9020944792    
O         -2.789521101       -0.4397727342        0.4020168394    
O          1.176414881        -2.819278364         2.085478989    
O         -1.634499225        -2.416543602         2.058427088    
H          1.746074421        -2.705609785         2.862650156    
H          3.106828767        -1.813810234       -0.6008163386    
H          2.358345405       -0.4969513927       -0.1796460572    
H         0.7043577682         1.160620325       -0.8798434055    
H         -1.675077715        0.7786050847       -0.2916356677    
H         -1.638594921         2.021114343        -1.269806291    
H         -2.364181463        -1.121366461         1.066380727    
H         -3.274039165        -1.037549902       -0.1880917694    
H          1.726098644        -2.326153923         1.347267788    
H        -0.5998226171        -2.558497806         2.064235332    
H         -1.903959396        -2.719116511         2.940862181    
H          2.064647292         1.855627004       -0.5647898868    
    18
Energy=    -6256.57149727658    
O         -1.042314504         1.497863541       -0.7095835324    
O          2.721937753        -1.404817998        0.1904777758    
O          1.736377298         1.008095840       -0.9023622632    
O         -2.789589824       -0.4395311648        0.4023125113    
O          1.176464958        -2.819200925         2.085579540    
O         -1.634468665        -2.416647259         2.058268595    
H          1.745923410        -2.705034893         2.862832178    
H          3.106985968        -1.813884628       -0.6005683064    
H          2.358371015       -0.4969659174       -0.1797406348    
H         0.7043501179         1.160536096       -0.8800151510    
H         -1.675071689        0.7786873695       -0.2914910897    
H         -1.638560482         2.021090750        -1.269758479    
H         -2.364190471        -1.121234191         1.066531541    
H         -3.274118717        -1.037227585       -0.1878502492    
H          1.726151222        -2.326085347         1.347349242    
H        -0.5998014223        -2.558533659         2.064175750    
H         -1.904158122        -2.720138688         2.940327052    
H          2.064744137         1.855525214       -0.5651600800    
    18
Energy=    -6256.57149694657    
O         -1.042309472         1.497899881       -0.7095246409    
O          2.721973416        -1.404847434        0.1904985148    
O          1.736371525         1.008026956       -0.9024220051    
O         -2.789619432       -0.4394223239        0.4024400980    
O          1.176492830        -2.819121401         2.085660895    
O         -1.634455657        -2.416690820         2.058192147    
H          1.745863420        -2.704665412         2.862936044    
H          3.107020945        -1.813940921       -0.6005340157    
H          2.358399049       -0.4970137031       -0.1797506157    
H         0.7043494588         1.160499835       -0.8800523553    
H         -1.675081474        0.7787541619       -0.2914066444    
H         -1.638531052         2.021083702        -1.269762447    
H         -2.364201451        -1.121179512         1.066590700    
H         -3.274146116        -1.037092169       -0.1877581626    
H          1.726160212        -2.326063883         1.347384833    
H        -0.5997855642        -2.558550777         2.064150148    
H         -1.904253829        -2.720676422         2.940055586    
H          2.064785176         1.855496798       -0.5653736817    
    18
Energy=    -6256.57149667741    
O         -1.042305071         1.497918252       -0.7094906937    
O          2.721984282        -1.404861830        0.1905003031    
O          1.736365316         1.007995803       -0.9024532398    
O         -2.789637402       -0.4393660462        0.4025050449    
O          1.176512214        -2.819082738         2.085703697    
O         -1.634445160        -2.416709705         2.058150159    
H          1.745831441        -2.704462456         2.862994536    
H          3.107030593        -1.813979143       -0.6005212946    
H          2.358410621       -0.4970389462       -0.1797720079    
H         0.7043449089         1.160481120       -0.8800683639    
H         -1.675086796        0.7787880495       -0.2913609363    
H         -1.638512139         2.021066448        -1.269772782    
H         -2.364205943        -1.121150246         1.066621862    
H         -3.274156608        -1.037020930       -0.1877142001    
H          1.726169668        -2.326049283         1.347405962    
H        -0.5997776993        -2.558559477         2.064130807    
H         -1.904298098        -2.720945971         2.939914678    
H          2.064807856         1.855473654       -0.5654491312    
    18
Energy=    -6256.57149659156    
O         -1.042303301         1.497942978       -0.7094577722    
O          2.721991828        -1.404884976        0.1904894890    
O          1.736357320         1.007970530       -0.9024643569    
O         -2.789646604       -0.4393235284        0.4025514910    
O          1.176529836        -2.819045803         2.085750017    
O         -1.634433632        -2.416720745         2.058115744    
H          1.745811058        -2.704278075         2.863049239    
H          3.107017659        -1.814018185       -0.6005344666    
H          2.358420221       -0.4970668245       -0.1797900394    
H         0.7043381729         1.160466585       -0.8800658735    
H         -1.675091687        0.7788231686       -0.2913219855    
H         -1.638492733         2.021048204        -1.269794978    
H         -2.364206327        -1.121129140         1.066644648    
H         -3.274157266        -1.036968162       -0.1876863555    
H          1.726171656        -2.326037688         1.347426634    
H        -0.5997686980        -2.558566985         2.064114144    
H         -1.904329540        -2.721169644         2.939797348    
H          2.064824023         1.855454848       -0.5654985297    
    18
Energy=    -6256.57149606829    
O         -1.042301639         1.497982729       -0.7094179370    
O          2.721992159        -1.404919201        0.1904611710    
O          1.736343442         1.007938016       -0.9024775854    
O         -2.789644690       -0.4392797064        0.4025896524    
O          1.176547651        -2.818993023         2.085828609    
O         -1.634414973        -2.416722324         2.058080905    
H          1.745800955        -2.704046363         2.863128328    
H          3.106966314        -1.814073887       -0.6005780357    
H          2.358427867       -0.4971031455       -0.1798184826    
H         0.7043278002         1.160449005       -0.8800408522    
H         -1.675095846        0.7788726129       -0.2912728808    
H         -1.638467202         2.021041784        -1.269817677    
H         -2.364198047        -1.121108834         1.066665344    
H         -3.274130085        -1.036920413       -0.1876734055    
H          1.726157982        -2.326020720         1.347461695    
H        -0.5997536244        -2.558573185         2.064101980    
H         -1.904365389        -2.721452754         2.939652304    
H          2.064839309         1.855425966       -0.5655487330    
    18
Energy=    -6256.57149334681    
O         -1.042300151         1.498051686       -0.7093684135    
O          2.721942659        -1.404936837        0.1904191075    
O          1.736327694         1.007930700       -0.9024851959    
O         -2.789614946       -0.4392474583        0.4026026563    
O          1.176546391        -2.818998461         2.085904101    
O         -1.634378274        -2.416700379         2.058075364    
H          1.745792605        -2.703889648         2.863192253    
H          3.106917438        -1.814089356       -0.6006195661    
H          2.358394718       -0.4971109364       -0.1798577692    
H         0.7043251046         1.160458891       -0.8799561604    
H         -1.675089676        0.7789390885       -0.2912069002    
H         -1.638415488         2.020969626        -1.269949693    
H         -2.364163460        -1.121099192         1.066667969    
H         -3.274105134        -1.036892195       -0.1876479301    
H          1.726109067        -2.326037526         1.347486908    
H        -0.5997219317        -2.558581802         2.064114382    
H         -1.904385068        -2.721683748         2.939544624    
H          2.064850434         1.855414107       -0.5655913376    
    18
Energy=    -6256.57148989687    
O         -1.042247020         1.498143810       -0.7092710704    
O          2.721796952        -1.404878018        0.1904827161    
O          1.736316996         1.007972130       -0.9025543818    
O         -2.789601617       -0.4391044430        0.4028222979    
O          1.176611042        -2.819221119         2.085914590    
O         -1.634303135        -2.416797031         2.057919368    
H          1.745698975        -2.703662534         2.863247751    
H          3.107117553        -1.813934381       -0.6004305015    
H          2.358317919       -0.4970468047       -0.1798638043    
H         0.7042943543         1.160507525       -0.8800152814    
H         -1.675048569        0.7790713334       -0.2910986307    
H         -1.638230239         2.020515511        -1.270467932    
H         -2.364104868        -1.121047800         1.066741808    
H         -3.274513375        -1.036608690       -0.1872435566    
H          1.726061233        -2.326182196         1.347496315    
H        -0.5996338009        -2.558701328         2.064006919    
H         -1.904401236        -2.721969244         2.939291396    
H          2.064900819         1.855439835       -0.5656536032    
    18
Energy=    -6256.57148538406    
O         -1.042207880         1.498216550       -0.7091639040    
O          2.721628925        -1.404820465        0.1905127238    
O          1.736331341         1.008011846       -0.9026994683    
O         -2.789583312       -0.4390368598        0.4029091330    
O          1.176655212        -2.819371978         2.085977263    
O         -1.634240070        -2.416886870         2.057812170    
H          1.745637156        -2.703518972         2.863341983    
H          3.107283850        -1.813814569       -0.6002687997    
H          2.358196032       -0.4969967497       -0.1799206788    
H         0.7043197718         1.160576166       -0.8800416709    
H         -1.675005517        0.7791459341       -0.2909730937    
H         -1.638111850         2.020280895        -1.270720923    
H         -2.364073841        -1.121054393         1.066734093    
H         -3.274796409        -1.036436164       -0.1870153350    
H          1.726036970        -2.326312688         1.347528048    
H        -0.5995632522        -2.558791724         2.063994722    
H         -1.904438228        -2.722148576         2.939113276    
H          2.064963085         1.855455174       -0.5657951395    
    18
Energy=    -6256.57148218181    
O         -1.042193480         1.498209742       -0.7091420351    
O          2.721561447        -1.404761563        0.1905699394    
O          1.736362551         1.008056828       -0.9027574770    
O         -2.789612350       -0.4390048700        0.4029697351    
O          1.176665272        -2.819503380         2.085916078    
O         -1.634221905        -2.416942669         2.057763280    
H          1.745579856        -2.703591270         2.863311718    
H          3.107467300        -1.813694498       -0.6001190034    
H          2.358129033       -0.4969464122       -0.1799121384    
H         0.7043541653         1.160618732       -0.8800949914    
H         -1.674986840        0.7791429836       -0.2909427949    
H         -1.638060188         2.020115042        -1.270880377    
H         -2.364071636        -1.121055507         1.066726396    
H         -3.275027499        -1.036353614       -0.1868380529    
H          1.726058320        -2.326399172         1.347497145    
H        -0.5995393814        -2.558835109         2.063967203    
H         -1.904423004        -2.722047340         2.939114979    
H          2.064990322         1.855488631       -0.5658252073    
    18
Energy=    -6256.57148189318    
O         -1.042193902         1.498210469       -0.7091126711    
O          2.721556472        -1.404746367        0.1906045826    
O          1.736384540         1.008095468       -0.9027686579    
O         -2.789658752       -0.4390012362        0.4029956743    
O          1.176671118        -2.819562132         2.085856622    
O         -1.634218934        -2.416956206         2.057755382    
H          1.745553535        -2.703649268         2.863267555    
H          3.107568304        -1.813646241       -0.6000474385    
H          2.358102672       -0.4969370902       -0.1798906503    
H         0.7043833270         1.160649716       -0.8801181785    
H         -1.674988150        0.7791429292       -0.2909228696    
H         -1.638044811         2.020005724        -1.270963887    
H         -2.364097027        -1.121052743         1.066728458    
H         -3.275129201        -1.036337527       -0.1867724444    
H          1.726089640        -2.326444503         1.347466455    
H        -0.5995470898        -2.558846646         2.063948047    
H         -1.904415354        -2.721955250         2.939145585    
H          2.065015595         1.855527458       -0.5658471646    
    18
Energy=    -6256.57148126393    
O         -1.042179479         1.498175965       -0.7090301766    
O          2.721620657        -1.404751958        0.1906417434    
O          1.736418973         1.008057442       -0.9028987319    
O         -2.789754429       -0.4389346524        0.4031095956    
O          1.176707675        -2.819472621         2.085891658    
O         -1.634237986        -2.417070038         2.057609877    
H          1.745471232        -2.703356204         2.863358635    
H          3.107783990        -1.813663046       -0.5999412349    
H          2.358113872       -0.4970106059       -0.1799232858    
H         0.7044183926         1.160617444       -0.8802156464    
H         -1.674986520        0.7791294478       -0.2908300642    
H         -1.638043816         2.020003298        -1.270845099    
H         -2.364162247        -1.121071716         1.066749073    
H         -3.275364550        -1.036173637       -0.1866463599    
H          1.726183719        -2.326419820         1.347487957    
H        -0.5995586941        -2.558901798         2.063850705    
H         -1.904478175        -2.722153747         2.938952305    
H          2.065079368         1.855492801       -0.5659965526    
    18
Energy=    -6256.57148141134    
O         -1.042194715         1.498184015       -0.7089982178    
O          2.721659661        -1.404754205        0.1906473514    
O          1.736436089         1.008076558       -0.9028771738    
O         -2.789790495       -0.4389445546        0.4031087373    
O          1.176702047        -2.819457748         2.085854046    
O         -1.634259716        -2.417069500         2.057618432    
H          1.745487933        -2.703425218         2.863318882    
H          3.107849627        -1.813662854       -0.5999268754    
H          2.358123488       -0.4970254765       -0.1799188317    
H         0.7044405625         1.160626039       -0.8802057641    
H         -1.675001421        0.7791335779       -0.2908066980    
H         -1.638054568         2.019938170        -1.270880816    
H         -2.364203813        -1.121086064         1.066754457    
H         -3.275396675        -1.036178797       -0.1866572831    
H          1.726209308        -2.326413176         1.347464932    
H        -0.5995878798        -2.558910759         2.063833655    
H         -1.904479452        -2.722057188         2.939003100    
H          2.065092002         1.855523738       -0.5660075334    
    18
Energy=    -6256.57146848936    
O         -1.042227344         1.498227554       -0.7090520813    
O          2.721720717        -1.404822715        0.1905406131    
O          1.736522545         1.008092102       -0.9027388149    
O         -2.789837681       -0.4389138230        0.4031377050    
O          1.176663253        -2.819366698         2.085806149    
O         -1.634307104        -2.416968559         2.057734605    
H          1.745580365        -2.703447238         2.863277560    
H          3.107980244        -1.813713738       -0.6000235211    
H          2.358130589       -0.4970892183       -0.1799722966    
H         0.7045420948         1.160601879       -0.8801602358    
H         -1.675031972        0.7792156227       -0.2908052120    
H         -1.638147273         2.019776153        -1.271050313    
H         -2.364301062        -1.121086381         1.066812494    
H         -3.275414812        -1.036208192       -0.1866540773    
H          1.726240563        -2.326382513         1.347410062    
H        -0.5995951016        -2.558820845         2.063860608    
H         -1.904543249        -2.722153255         2.938995783    
H          2.065057210         1.855556421       -0.5657946293    
    18
Energy=    -6256.57146887895    
O         -1.042075993         1.497967348       -0.7090009642    
O          2.721826816        -1.404803918        0.1907495911    
O          1.736481591         1.007713339       -0.9033675845    
O         -2.789872125       -0.4386677211        0.4034914599    
O          1.176842647        -2.819059804         2.086205882    
O         -1.634209807        -2.417470363         2.057018550    
H          1.745061647        -2.701867781         2.863896636    
H          3.108259336        -1.813766874       -0.5996890903    
H          2.358170662       -0.4972360233       -0.1800532527    
H         0.7044882668         1.160342897       -0.8805546040    
H         -1.674955623        0.7790288382       -0.2907142711    
H         -1.638096793         2.020568152        -1.269971039    
H         -2.364188731        -1.121121190         1.066792902    
H         -3.276108438        -1.035565310       -0.1860867619    
H          1.726409790        -2.326249128         1.347695474    
H        -0.5995079754        -2.559086866         2.063506603    
H         -1.904728599        -2.723393823         2.937997494    
H          2.065235312         1.855164783       -0.5665926267    
    18
Energy=    -6256.57145713523    
O         -1.041973248         1.497788392       -0.7090665141    
O          2.721963979        -1.404804381        0.1908457309    
O          1.736533561         1.007431784       -0.9036910555    
O         -2.789920397       -0.4385109926        0.4037320812    
O          1.176896477        -2.818868731         2.086389424    
O         -1.634168243        -2.417712071         2.056640985    
H          1.744715759        -2.700846031         2.864254145    
H          3.108518346        -1.813780978       -0.5995244624    
H          2.358239758       -0.4973091964       -0.1800986293    
H         0.7045521278         1.160085315       -0.8807809818    
H         -1.674914200        0.7789404527       -0.2907090196    
H         -1.638174493         2.021079651        -1.269220740    
H         -2.364168046        -1.121164719         1.066798174    
H         -3.276574734        -1.035215903       -0.1857015141    
H          1.726502637        -2.326163263         1.347840778    
H        -0.5994367995        -2.559184753         2.063280869    
H         -1.904865892        -2.724187024         2.937372279    
H          2.065305392         1.854919004       -0.5670371512    
    18
Energy=    -6256.57144830187    
O         -1.041900412         1.497691954       -0.7090995243    
O          2.721972998        -1.404772891        0.1909019365    
O          1.736542177         1.007287310       -0.9038883294    
O         -2.789908015       -0.4384572447        0.4038092893    
O          1.176915656        -2.818840843         2.086492593    
O         -1.634133044        -2.417815029         2.056470005    
H          1.744536844        -2.700385005         2.864438607    
H          3.108567469        -1.813751853       -0.5994414446    
H          2.358273994       -0.4972887710       -0.1801175161    
H         0.7045591549         1.159952238       -0.8808949261    
H         -1.674872883        0.7788796214       -0.2907157731    
H         -1.638200579         2.021387167        -1.268787129    
H         -2.364116074        -1.121188309         1.066769316    
H         -3.276736655        -1.035086081       -0.1855580075    
H          1.726502787        -2.326145128         1.347928597    
H        -0.5993824476        -2.559224099         2.063207859    
H         -1.904917289        -2.724531630         2.937091095    
H          2.065328302         1.854785150       -0.5672822496    
    18
Energy=    -6256.57144498480    
O         -1.041872235         1.497654044       -0.7091399856    
O          2.721948842        -1.404748172        0.1909218182    
O          1.736549539         1.007256858       -0.9039510815    
O         -2.789890019       -0.4384581269        0.4038067662    
O          1.176911094        -2.818876926         2.086513187    
O         -1.634117260        -2.417824606         2.056449097    
H          1.744491223        -2.700318928         2.864477823    
H          3.108561855        -1.813720358       -0.5994112043    
H          2.358275987       -0.4972539396       -0.1801182998    
H         0.7045662156         1.159915204       -0.8809350512    
H         -1.674852775        0.7788498196       -0.2907482770    
H         -1.638223692         2.021505449        -1.268630894    
H         -2.364087272        -1.121192798         1.066747662    
H         -3.276756271        -1.035083673       -0.1855355123    
H          1.726481018        -2.326163794         1.347953090    
H        -0.5993578816        -2.559220591         2.063214860    
H         -1.904920860        -2.724578050         2.937049904    
H          2.065324475         1.854755144       -0.5673395035    
    18
Energy=    -6256.57144203325    
O         -1.041849547         1.497603668       -0.7092306654    
O          2.721886496        -1.404699143        0.1909453283    
O          1.736549799         1.007276995       -0.9039901009    
O         -2.789859744       -0.4384720678        0.4037858287    
O          1.176897626        -2.818987582         2.086509224    
O         -1.634097452        -2.417823581         2.056470120    
H          1.744483265        -2.700428950         2.864469049    
H          3.108531957        -1.813662575       -0.5993690232    
H          2.358260663       -0.4971849669       -0.1801106161    
H         0.7045670620         1.159908968       -0.8809649525    
H         -1.674831469        0.7788054706       -0.2908189500    
H         -1.638242860         2.021595327        -1.268555244    
H         -2.364048321        -1.121181350         1.066719667    
H         -3.276740398        -1.035109538       -0.1855422166    
H          1.726433079        -2.326225719         1.347964144    
H        -0.5993277130        -2.559209404         2.063255305    
H         -1.904877204        -2.724478184         2.937108878    
H          2.065296746         1.854769189       -0.5673213770    
    18
Energy=    -6256.57143706684    
O         -1.041864747         1.497502180       -0.7094611747    
O          2.721918203        -1.404624841        0.1910028948    
O          1.736546438         1.007315052       -0.9039528931    
O         -2.789858771       -0.4383987539        0.4039062813    
O          1.176901823        -2.819104998         2.086466961    
O         -1.634079877        -2.417958330         2.056394238    
H          1.744484918        -2.700621663         2.864425562    
H          3.108579759        -1.813614683       -0.5992797566    
H          2.358318042       -0.4971102208       -0.1800709793    
H         0.7045832837         1.159880608       -0.8809656009    
H         -1.674853534        0.7787650526       -0.2909392157    
H         -1.638263849         2.021574298        -1.268705912    
H         -2.364044095        -1.121155703         1.066735056    
H         -3.276935178        -1.034951577       -0.1853894135    
H          1.726440010        -2.326292813         1.347959802    
H        -0.5993013810        -2.559281958         2.063197194    
H         -1.904754048        -2.724248701         2.937185936    
H          2.065214987         1.854823607       -0.5671845818    
    18
Energy=    -6256.57142696539    
O         -1.041888631         1.497338554       -0.7097537414    
O          2.722277809        -1.404669807        0.1910363196    
O          1.736557092         1.007263004       -0.9036655724    
O         -2.790044234       -0.4380244751        0.4044624541    
O          1.176906912        -2.818959248         2.086391682    
O         -1.634153322        -2.418503577         2.055964738    
H          1.744441335        -2.700353330         2.864384955    
H          3.109137369        -1.813539578       -0.5992128948    
H          2.358606690       -0.4971632794       -0.1799916157    
H         0.7045269511         1.159668466       -0.8808639445    
H         -1.675030105        0.7788946892       -0.2909570371    
H         -1.638101704         2.021046681        -1.269536414    
H         -2.364122749        -1.121105591         1.066902084    
H         -3.277733509        -1.034151217       -0.1846614104    
H          1.726522126        -2.326272606         1.347868994    
H        -0.5993234742        -2.559509708         2.062819442    
H         -1.904533844        -2.724276559         2.936995881    
H          2.064987273         1.854814137       -0.5668595223    
    18
Energy=    -6256.57141285663    
O         -1.041957153         1.497212452       -0.7099202033    
O          2.722664849        -1.404728496        0.1910689102    
O          1.736541589         1.007174069       -0.9034352054    
O         -2.790244374       -0.4376612859        0.4050094785    
O          1.176961589        -2.818678383         2.086352969    
O         -1.634206184        -2.418988939         2.055494918    
H          1.744379393        -2.699975543         2.864407434    
H          3.109543298        -1.813636981       -0.5991620645    
H          2.358879137       -0.4972803203       -0.1799529176    
H         0.7045038845         1.159497252       -0.8807504943    
H         -1.675185608        0.7789961517       -0.2908661381    
H         -1.637964121         2.020561052        -1.270244839    
H         -2.364266991        -1.121054455         1.067087318    
H         -3.278457426        -1.033428719       -0.1840469975    
H          1.726721533        -2.326129365         1.347836241    
H        -0.5993485021        -2.559719680         2.062395730    
H         -1.904390874        -2.724441432         2.936682168    
H          2.064857945         1.854779180       -0.5666319083    
    18
Energy=    -6256.57140426322    
O         -1.042003306         1.497174884       -0.7099202167    
O          2.722922121        -1.404786373        0.1910883753    
O          1.736536621         1.007104499       -0.9032965805    
O         -2.790387455       -0.4374750363        0.4053099709    
O          1.176999443        -2.818474280         2.086314228    
O         -1.634252340        -2.419222031         2.055239838    
H          1.744327652        -2.699679711         2.864418211    
H          3.109781989        -1.813713230       -0.5991527567    
H          2.359028446       -0.4973879119       -0.1799205875    
H         0.7044937342         1.159406864       -0.8806729300    
H         -1.675280015        0.7790708756       -0.2907581712    
H         -1.637869249         2.020259164        -1.270632643    
H         -2.364374804        -1.121044807         1.067197507    
H         -3.278843844        -1.033057205       -0.1837261390    
H          1.726860796        -2.326009993         1.347806645    
H        -0.5993916576        -2.559851599         2.062114911    
H         -1.904340728        -2.724571257         2.936489242    
H          2.064824582         1.854753703       -0.5665745055    
    18
Energy=    -6256.57139761499    
O         -1.042029378         1.497202513       -0.7098140199    
O          2.723102736        -1.404868881        0.1910698845    
O          1.736519324         1.006997284       -0.9032504214    
O         -2.790489785       -0.4373271378        0.4055342260    
O          1.177056623        -2.818235456         2.086364763    
O         -1.634266749        -2.419363890         2.055022381    
H          1.744245676        -2.699183559         2.864531958    
H          3.109880742        -1.813841517       -0.5991962906    
H          2.359127954       -0.4975097201       -0.1799360578    
H         0.7044825063         1.159340112       -0.8806259194    
H         -1.675325280        0.7791549232       -0.2906017478    
H         -1.637798667         2.020075969        -1.270814875    
H         -2.364446057        -1.121040913         1.067274594    
H         -3.279068484        -1.032797258       -0.1835197645    
H          1.726989599        -2.325883790         1.347825743    
H        -0.5994070381        -2.559925700         2.061912489    
H         -1.904398384        -2.724964353         2.936173679    
H          2.064856645         1.854667931       -0.5666262219    
    18
Energy=    -6256.57139012666    
O         -1.042039828         1.497289279       -0.7096247155    
O          2.723259815        -1.404984898        0.1910060584    
O          1.736485378         1.006849228       -0.9032336439    
O         -2.790565974       -0.4371745252        0.4057433596    
O          1.177128581        -2.817948854         2.086478704    
O         -1.634261781        -2.419469853         2.054790703    
H          1.744126764        -2.698483665         2.864721341    
H          3.109904140        -1.814003513       -0.5993102734    
H          2.359216967       -0.4976503939       -0.1799817854    
H         0.7044546199         1.159281306       -0.8805746184    
H         -1.675331024        0.7792653579       -0.2903829639    
H         -1.637740949         2.019888112        -1.270942017    
H         -2.364480565        -1.121025293         1.067341173    
H         -3.279215483        -1.032566265       -0.1833361428    
H          1.727119416        -2.325749043         1.347875171    
H        -0.5994023308        -2.559949111         2.061759939    
H         -1.904550078        -2.725593089         2.935721515    
H          2.064924314         1.854521776       -0.5667274051    
    18
Energy=    -6256.57138018652    
O         -1.042035804         1.497440427       -0.7093763736    
O          2.723398764        -1.405146850        0.1908782634    
O          1.736427487         1.006637004       -0.9032926587    
O         -2.790606906       -0.4369801717        0.4059933652    
O          1.177242435        -2.817569750         2.086719835    
O         -1.634217750        -2.419578278         2.054494395    
H          1.743949246        -2.697409548         2.865067848    
H          3.109821771        -1.814255607       -0.5995043454    
H          2.359307470       -0.4978262979       -0.1800922909    
H         0.7044170391         1.159220091       -0.8805601708    
H         -1.675284424        0.7794187527       -0.2900908846    
H         -1.637731478         2.019730385        -1.270969029    
H         -2.364477459        -1.120991732         1.067423073    
H         -3.279285287        -1.032286966       -0.1831525731    
H          1.727274348        -2.325599828         1.347993327    
H        -0.5993423436        -2.559932205         2.061650654    
H         -1.904855269        -2.726642179         2.935002678    
H          2.065030143         1.854269310       -0.5668607147    
    18
Energy=    -6256.57137366277    
O         -1.042017833         1.497572606       -0.7092065067    
O          2.723453927        -1.405281280        0.1907493848    
O          1.736380498         1.006479974       -0.9033637794    
O         -2.790593903       -0.4368300106        0.4061602798    
O          1.177333714        -2.817307863         2.086944372    
O         -1.634174914        -2.419673452         2.054274372    
H          1.743809472        -2.696545923         2.865363811    
H          3.109730405        -1.814447173       -0.5996772358    
H          2.359351105       -0.4979566287       -0.1802090616    
H         0.7043844825         1.159181662       -0.8805573787    
H         -1.675220662        0.7795428868       -0.2898769251    
H         -1.637759412         2.019642084        -1.270945231    
H         -2.364448920        -1.120946152         1.067476860    
H         -3.279267245        -1.032092545       -0.1830384668    
H          1.727366423        -2.325515092         1.348102562    
H        -0.5992759682        -2.559857833         2.061651722    
H         -1.905119916        -2.727531136         2.934419759    
H          2.065100729         1.854062430       -0.5669441378    
    18
Energy=    -6256.57136563870    
O         -1.041976503         1.497729709       -0.7090849762    
O          2.723443848        -1.405458933        0.1905475206    
O          1.736327599         1.006300309       -0.9035240562    
O         -2.790523028       -0.4366609955        0.4063577048    
O          1.177440361        -2.816994683         2.087300035    
O         -1.634123565        -2.419815372         2.054014607    
H          1.743647905        -2.695415337         2.865779250    
H          3.109667220        -1.814696059       -0.5998680124    
H          2.359350696       -0.4981352597       -0.1804251842    
H         0.7043584910         1.159135824       -0.8806311933    
H         -1.675106641        0.7796853450       -0.2896620655    
H         -1.637868620         2.019686417        -1.270766177    
H         -2.364407929        -1.120883449         1.067567270    
H         -3.279143428        -1.031836957       -0.1829475137    
H          1.727431761        -2.325445857         1.348275658    
H        -0.5991755892        -2.559747619         2.061726959    
H         -1.905471052        -2.728744439         2.933670942    
H          2.065160456         1.853793913       -0.5670063691    
    18
Energy=    -6256.57136305965    
O         -1.041967119         1.497764114       -0.7090800202    
O          2.723427794        -1.405496330        0.1904993907    
O          1.736318568         1.006266995       -0.9035657646    
O         -2.790498980       -0.4366331584        0.4064016086    
O          1.177461759        -2.816939418         2.087381878    
O         -1.634117162        -2.419849138         2.053964093    
H          1.743616089        -2.695181913         2.865867934    
H          3.109668177        -1.814745991       -0.5998997327    
H          2.359343689       -0.4981720484       -0.1804795993    
H         0.7043585223         1.159127746       -0.8806638998    
H         -1.675076093        0.7797143594       -0.2896259735    
H         -1.637911046         2.019718054        -1.270709441    
H         -2.364399359        -1.120873633         1.067589519    
H         -3.279095699        -1.031779873       -0.1829368835    
H          1.727437965        -2.325439791         1.348316129    
H        -0.5991539522        -2.559729559         2.061750790    
H         -1.905547616        -2.728993623         2.933523459    
H          2.065166447         1.853739764       -0.5670090889    
    18
Energy=    -6256.57135686497    
O         -1.041952478         1.497795030       -0.7091374795    
O          2.723346567        -1.405532085        0.1904369763    
O          1.736325543         1.006254192       -0.9036314989    
O         -2.790462372       -0.4366444236        0.4064442135    
O          1.177473562        -2.816916247         2.087468894    
O         -1.634125979        -2.419869490         2.053960573    
H          1.743616514        -2.695013764         2.865940212    
H          3.109708058        -1.814778627       -0.5998917340    
H          2.359295566       -0.4982024016       -0.1805562428    
H         0.7043876865         1.159113661       -0.8807534461    
H         -1.675046563        0.7797428424       -0.2896270302    
H         -1.637975054         2.019821349        -1.270628129    
H         -2.364398888        -1.120869401         1.067609930    
H         -3.278986484        -1.031728503       -0.1829539551    
H          1.727410886        -2.325445520         1.348354709    
H        -0.5991259978        -2.559720730         2.061791273    
H         -1.905599255        -2.729210769         2.933437133    
H          2.065140670         1.853701443       -0.5669399999    
    18
Energy=    -6256.57135522001    
O         -1.041951475         1.497881971       -0.7087619562    
O          2.723519025        -1.405569799        0.1904409542    
O          1.736250305         1.006100198       -0.9036372633    
O         -2.790492089       -0.4365852813        0.4064257916    
O          1.177475873        -2.816726117         2.087497225    
O         -1.634105369        -2.419951768         2.053813181    
H          1.743412857        -2.694461103         2.866079637    
H          3.109621664        -1.814854891       -0.6000114011    
H          2.359358498       -0.4982857954       -0.1805529766    
H         0.7042974262         1.159078661       -0.8805199978    
H         -1.675063897        0.7797823041       -0.2893966987    
H         -1.637845158         2.019723045        -1.270540837    
H         -2.364388656        -1.120858117         1.067606131    
H         -3.279015792        -1.031759297       -0.1829712991    
H          1.727484550        -2.325393018         1.348343112    
H        -0.5991248712        -2.559681879         2.061750984    
H         -1.905724378        -2.729555251         2.933154260    
H          2.065323468         1.853612692       -0.5673944476    
    18
Energy=    -6256.57134721346    
O         -1.041976476         1.497914282       -0.7085114269    
O          2.723736994        -1.405535873        0.1904797204    
O          1.736220067         1.006024429       -0.9035287299    
O         -2.790558830       -0.4366110386        0.4063632785    
O          1.177433578        -2.816658701         2.087358840    
O         -1.634132319        -2.419938871         2.053777131    
H          1.743298454        -2.694442238         2.866014357    
H          3.109612101        -1.814814705       -0.6000790860    
H          2.359474182       -0.4982835848       -0.1804671587    
H         0.7042726759         1.159019200       -0.8802735255    
H         -1.675137198        0.7797666451       -0.2892609533    
H         -1.637734601         2.019483756        -1.270669995    
H         -2.364406547        -1.120820611         1.067558977    
H         -3.279185644        -1.031815504       -0.1829138320    
H          1.727532847        -2.325353400         1.348240760    
H        -0.5991325106        -2.559647536         2.061693050    
H         -1.905726162        -2.729422063         2.933169939    
H          2.065441371         1.853632368       -0.5676269462    
    18
Energy=    -6256.57133148571    
O         -1.042034522         1.497792771       -0.7084477140    
O          2.724056172        -1.405443467        0.1905582265    
O          1.736252662         1.006077034       -0.9031896741    
O         -2.790733009       -0.4365688587        0.4062976114    
O          1.177388597        -2.816645257         2.087055328    
O         -1.634120536        -2.419737883         2.053825050    
H          1.743394231        -2.695094137         2.865732212    
H          3.109542601        -1.814684497       -0.6002006330    
H          2.359675302       -0.4981896126       -0.1802513320    
H         0.7042819395         1.158956800       -0.8799530002    
H         -1.675305555        0.7796759837       -0.2892731484    
H         -1.637529145         2.018867249        -1.271323580    
H         -2.364426529        -1.120677618         1.067484410    
H         -3.279777013        -1.031826967       -0.1826020993    
H          1.727627647        -2.325273540         1.348073325    
H        -0.5991330799        -2.559544953         2.061610452    
H         -1.905584049        -2.728933556         2.933327490    
H          2.065456268         1.853747065       -0.5673985252    
    18
Energy=    -6256.57130121276    
O         -1.042193890         1.497186961       -0.7091761015    
O          2.724592536        -1.405063412        0.1907953213    
O          1.736453316         1.006592074       -0.9022340369    
O         -2.791111019       -0.4364660073        0.4062362917    
O          1.177253750        -2.817120563         2.086088832    
O         -1.634124510        -2.419076112         2.054203331    
H          1.744034730        -2.698200904         2.864575481    
H          3.109685205        -1.814104858       -0.6002560633    
H          2.360111895       -0.4977071935       -0.1796736820    
H         0.7043990320         1.158978915       -0.8796197790    
H         -1.675618063        0.7792888567       -0.2898182039    
H         -1.637332025         2.017270892        -1.273308315    
H         -2.364475509        -1.120362951         1.067415325    
H         -3.281225272        -1.031782299       -0.1817383824    
H          1.727736030        -2.325220587         1.347622245    
H        -0.5992145622        -2.559407309         2.061442565    
H         -1.904985813        -2.726512853         2.934475732    
H          2.065046152         1.854203907       -0.5657061613    
    18
Energy=    -6256.57127227101    
O         -1.042271089         1.496610267       -0.7100159749    
O          2.724874127        -1.404867869        0.1908613667    
O          1.736669802         1.007030935       -0.9015512294    
O         -2.791458601       -0.4362589270        0.4063402330    
O          1.177243234        -2.817425079         2.085552364    
O         -1.634048332        -2.418488535         2.054462592    
H          1.744639572        -2.700319526         2.863835193    
H          3.109787379        -1.813784402       -0.6003463117    
H          2.360418313       -0.4973920876       -0.1793548655    
H         0.7045491088         1.158998019       -0.8795777230    
H         -1.675804640        0.7789859920       -0.2903514502    
H         -1.637256371         2.016175857        -1.274781633    
H         -2.364578444        -1.120055570         1.067454119    
H         -3.282379836        -1.031569824       -0.1809827033    
H          1.727841090        -2.325179327         1.347404677    
H        -0.5992006149        -2.559185460         2.061394890    
H         -1.904611714        -2.725268089         2.935029996    
H          2.064618999         1.854490183       -0.5640491412    
    18
Energy=    -6256.57124549553    
O         -1.042250744         1.496010180       -0.7108451851    
O          2.725064225        -1.404807788        0.1908075797    
O          1.736903721         1.007361231       -0.9010881863    
O         -2.791897864       -0.4359915379        0.4065584881    
O          1.177333324        -2.817570634         2.085304774    
O         -1.633918675        -2.417925321         2.054610366    
H          1.745119698        -2.701509554         2.863420861    
H          3.109919223        -1.813698234       -0.6004533079    
H          2.360700332       -0.4972177170       -0.1792374821    
H         0.7047305428         1.158983671       -0.8796999289    
H         -1.675898869        0.7787147507       -0.2908318419    
H         -1.637221836         2.015489420        -1.275716608    
H         -2.364855771        -1.119758285         1.067593525    
H         -3.283365316        -1.031268335       -0.1803379531    
H          1.727965815        -2.325138625         1.347312016    
H        -0.5991028800        -2.558806520         2.061405732    
H         -1.904420588        -2.725012968         2.935101046    
H          2.064227646         1.854642824       -0.5625794959    
    18
Energy=    -6256.57122287693    
O         -1.042065616         1.495810745       -0.7108472758    
O          2.725069016        -1.405121449        0.1905283988    
O          1.737017827         1.007131930       -0.9013334742    
O         -2.792297851       -0.4356997806        0.4068429648    
O          1.177597228        -2.817025014         2.085889382    
O         -1.633686009        -2.417702001         2.054387087    
H          1.744954597        -2.699591426         2.864063081    
H          3.109762267        -1.814257239       -0.6006927944    
H          2.360800158       -0.4975162299       -0.1795822185    
H         0.7048513589         1.158778959       -0.8798932146    
H         -1.675863094        0.7787196278       -0.2907596451    
H         -1.637087825         2.015953800        -1.275061478    
H         -2.365231976        -1.119547243         1.067759188    
H         -3.283640293        -1.030934091       -0.1801823258    
H          1.728154002        -2.324998422         1.347580849    
H        -0.5988216456        -2.558273356         2.061514333    
H         -1.904764959        -2.727567680         2.933706584    
H          2.064284795         1.854335425       -0.5625950416    
    18
Energy=    -6256.57119217643    
O         -1.041892208         1.495574672       -0.7107858733    
O          2.725268746        -1.405316102        0.1903649843    
O          1.737136521         1.006980571       -0.9013227289    
O         -2.792847625       -0.4355074222        0.4070252835    
O          1.177817617        -2.816553976         2.086212062    
O         -1.633476430        -2.417400457         2.054176773    
H          1.745003128        -2.698427077         2.864490259    
H          3.109536779        -1.814711079       -0.6009226142    
H          2.361017053       -0.4977032659       -0.1797490437    
H         0.7049482826         1.158582871       -0.8798143491    
H         -1.675874191        0.7786626637       -0.2907439576    
H         -1.636752879         2.016111452        -1.274849082    
H         -2.365760989        -1.119394496         1.067867404    
H         -3.284328803        -1.030693393       -0.1799339327    
H          1.728391740        -2.324836713         1.347708583    
H        -0.5985656777        -2.557678983         2.061519572    
H         -1.904955717        -2.729411759         2.932712922    
H          2.064366638         1.854219049       -0.5626318619    
    18
Energy=    -6256.57115800843    
O         -1.041497610         1.496099467       -0.7093685677    
O          2.725071878        -1.406124540        0.1898268224    
O          1.737025124         1.005893910       -0.9025870943    
O         -2.793121108       -0.4352388361        0.4073028158    
O          1.178300524        -2.814944238         2.087935899    
O         -1.633109279        -2.417723306         2.053444847    
H          1.743897294        -2.692109060         2.866612556    
H          3.108807727        -1.816208963       -0.6013579997    
H          2.360856501       -0.4986665951       -0.1806966859    
H         0.7049393198         1.158081562       -0.8799980472    
H         -1.675693859        0.7791352083       -0.2897786149    
H         -1.636350178         2.018143013        -1.272044886    
H         -2.366172738        -1.119347315         1.067950490    
H         -3.283675782        -1.030359360       -0.1804842532    
H          1.728702144        -2.324463017         1.348488415    
H        -0.5980334622        -2.556983152         2.061715148    
H         -1.906028554        -2.735906118         2.929291862    
H          2.065114042         1.853217897       -0.5649283087    
    18
Energy=    -6256.57113485290    
O         -1.041351686         1.496323710       -0.7086874774    
O          2.725055307        -1.406427907        0.1896411314    
O          1.736976635         1.005439818       -0.9030600047    
O         -2.793279157       -0.4351603879        0.4073717856    
O          1.178475743        -2.814310144         2.088541998    
O         -1.632983191        -2.417843039         2.053167783    
H          1.743435018        -2.689607639         2.867417765    
H          3.108524524        -1.816782375       -0.6015334683    
H          2.360826269       -0.4990391473       -0.1810299763    
H         0.7049304894         1.157855346       -0.8799786911    
H         -1.675664318        0.7793185893       -0.2893349099    
H         -1.636113832         2.018899979        -1.270970961    
H         -2.366360763        -1.119323546         1.067951437    
H         -3.283451803        -1.030285284       -0.1807360248    
H          1.728832544        -2.324305846         1.348738959    
H        -0.5978422173        -2.556706684         2.061749718    
H         -1.906435084        -2.738395030         2.928033374    
H          2.065457502         1.852846143       -0.5659580400    
    18
Energy=    -6256.57111615329    
O         -1.041192825         1.496779112       -0.7076365325    
O          2.724894749        -1.406862353        0.1893846920    
O          1.736857832         1.004780752       -0.9038929104    
O         -2.793272834       -0.4350731330        0.4074186997    
O          1.178703446        -2.813422072         2.089487674    
O         -1.632849345        -2.418187951         2.052772944    
H          1.742728087        -2.686003458         2.868622140    
H          3.108107780        -1.817567839       -0.6017268342    
H          2.360677151       -0.4995811796       -0.1815371184    
H         0.7048870235         1.157571772       -0.8800854004    
H         -1.675622372        0.7796595785       -0.2886277396    
H         -1.635916828         2.020104130        -1.269258088    
H         -2.366403710        -1.119337553         1.067880093    
H         -3.282803113        -1.030193800       -0.1812394832    
H          1.728949806        -2.324070807         1.349168699    
H        -0.5976396764        -2.556547796         2.061843458    
H         -1.907040360        -2.741799479         2.926296149    
H          2.065967172         1.852248633       -0.5675460434    
    18
Energy=    -6256.57109099085    
O         -1.041077471         1.497030526       -0.7067696469    
O          2.724766786        -1.407264172        0.1891297481    
O          1.736805856         1.004230905       -0.9046186443    
O         -2.793381899       -0.4349485733        0.4074998189    
O          1.178894963        -2.812708863         2.090261658    
O         -1.632757096        -2.418418576         2.052459111    
H          1.742084244        -2.682846967         2.869623199    
H          3.107935630        -1.818189468       -0.6018988788    
H          2.360595420       -0.5000489786       -0.1819690472    
H         0.7049079345         1.157303394       -0.8802024416    
H         -1.675657425        0.7798688403       -0.2879979976    
H         -1.635787782         2.021129514        -1.267685122    
H         -2.366474258        -1.119259415         1.067848080    
H         -3.282186898        -1.030135897       -0.1817113755    
H          1.729025090        -2.323891186         1.349495171    
H        -0.5974898907        -2.556394693         2.061902699    
H         -1.907593877        -2.744712300         2.924836472    
H          2.066422657         1.851752464       -0.5688784043    
    18
Energy=    -6256.57103418221    
O         -1.040873401         1.497069531       -0.7058096119    
O          2.724307948        -1.408039212        0.1885465610    
O          1.736861783         1.003414397       -0.9058138342    
O         -2.793660954       -0.4345307628        0.4078799497    
O          1.179285538        -2.811561193         2.091792924    
O         -1.632513174        -2.418714490         2.051789612    
H          1.741218982        -2.677611152         2.871405783    
H          3.107777126        -1.819154154       -0.6022458755    
H          2.360380831       -0.5008337817       -0.1827954744    
H         0.7050649858         1.156918194       -0.8806691769    
H         -1.675783010        0.7800781670       -0.2871302391    
H         -1.635795118         2.022896410        -1.264885565    
H         -2.366653818        -1.118946962         1.068003763    
H         -3.280993388        -1.029866238       -0.1824200792    
H          1.729126952        -2.323669647         1.350239427    
H        -0.5971793101        -2.556145692         2.062124923    
H         -1.908650456        -2.749751787         2.922023211    
H          2.067110468         1.850944929       -0.5707118995    
    18
Energy=    -6256.57101958751    
O         -1.040829161         1.497009584       -0.7057229731    
O          2.724269121        -1.408133628        0.1884782573    
O          1.736883634         1.003328676       -0.9059573978    
O         -2.793737515       -0.4344410010        0.4079572785    
O          1.179324858        -2.811436416         2.091953593    
O         -1.632478965        -2.418686870         2.051708698    
H          1.741072595        -2.676926178         2.871595431    
H          3.107779885        -1.819272144       -0.6022816704    
H          2.360363224       -0.5009327279       -0.1829174781    
H         0.7051076591         1.156882020       -0.8807131864    
H         -1.675840337        0.7801066847       -0.2870724650    
H         -1.635801043         2.023045356        -1.264544242    
H         -2.366731671        -1.118868051         1.068073643    
H         -3.280831670        -1.029826843       -0.1824886005    
H          1.729180787        -2.323677902         1.350302733    
H        -0.5971261046        -2.556111989         2.062162566    
H         -1.908760952        -2.750407801         2.921656114    
H          2.067187639         1.850845787       -0.5708659031    
    18
Energy=    -6256.57094594830    
O         -1.040702767         1.496640863       -0.7057257554    
O          2.723701744        -1.408833178        0.1878762590    
O          1.737073463         1.002918332       -0.9066278580    
O         -2.794086287       -0.4338861725        0.4085633155    
O          1.179722776        -2.810756245         2.093297883    
O         -1.632159452        -2.418738575         2.051138437    
H          1.740647412        -2.673213741         2.873016113    
H          3.107779334        -1.819878684       -0.6026866561    
H          2.360093447       -0.5015233310       -0.1835336337    
H         0.7053546956         1.156622711       -0.8812023691    
H         -1.675883000        0.7800228477       -0.2867744531    
H         -1.636041740         2.024334739        -1.262600473    
H         -2.366904786        -1.118389930         1.068458519    
H         -3.279887692        -1.029443290       -0.1827509460    
H          1.729173755        -2.323715239         1.350935974    
H        -0.5967497629        -2.555747890         2.062353922    
H         -1.909660308        -2.754322833         2.919231159    
H          2.067561151         1.850406173       -0.5716450385    
    18
Energy=    -6256.57088300944    
O         -1.040612664         1.496188897       -0.7062602404    
O          2.723293639        -1.409252766        0.1874273376    
O          1.737241914         1.002870039       -0.9068303273    
O         -2.794337187       -0.4334442525        0.4091016906    
O          1.179955307        -2.810493491         2.094131553    
O         -1.631928726        -2.418616323         2.050790016    
H          1.740586803        -2.671440288         2.873769971    
H          3.107918092        -1.820132133       -0.6029794923    
H          2.359861505       -0.5018369203       -0.1839444875    
H         0.7055183908         1.156559131       -0.8814803664    
H         -1.675817320        0.7798199988       -0.2869209477    
H         -1.636336842         2.024951305        -1.261736870    
H         -2.367066351        -1.117992193         1.068889636    
H         -3.279398964        -1.029106616       -0.1826883563    
H          1.729174475        -2.323949542         1.351338146    
H        -0.5964840074        -2.555434773         2.062547442    
H         -1.910190961        -2.756474081         2.917746967    
H          2.067654879         1.850280565       -0.5715772730    
    18
Energy=    -6256.57083477025    
O         -1.040618288         1.495723712       -0.7069848950    
O          2.723105721        -1.409400891        0.1872165395    
O          1.737390623         1.003094210       -0.9065282681    
O         -2.794568757       -0.4331584610        0.4094715685    
O          1.180040685        -2.810609232         2.094338573    
O         -1.631790737        -2.418356201         2.050695314    
H          1.740830616        -2.671537106         2.873826248    
H          3.108069927        -1.819994461       -0.6031809270    
H          2.359725438       -0.5018915592       -0.1839999849    
H         0.7056281585         1.156625293       -0.8814614725    
H         -1.675824686        0.7795704545       -0.2872975301    
H         -1.636481371         2.024811063        -1.262030595    
H         -2.367198863        -1.117667123         1.069238057    
H         -3.279385434        -1.028942572       -0.1823693217    
H          1.729160906        -2.324236577         1.351406939    
H        -0.5963492611        -2.555238860         2.062633271    
H         -1.910297059        -2.756762919         2.917309992    
H          2.067594364         1.850467787       -0.5709591106    
    18
Energy=    -6256.57079819754    
O         -1.040683765         1.495312745       -0.7076769282    
O          2.723076787        -1.409391752        0.1871851354    
O          1.737500524         1.003428406       -0.9059111083    
O         -2.794785414       -0.4329909360        0.4097045295    
O          1.180032283        -2.810970981         2.094091177    
O         -1.631710981        -2.418008459         2.050779822    
H          1.741137703        -2.672607046         2.873441315    
H          3.108184814        -1.819611643       -0.6033361466    
H          2.359675373       -0.5017926470       -0.1837871033    
H         0.7056896974         1.156745530       -0.8812024931    
H         -1.675910122        0.7793406697       -0.2877243656    
H         -1.636456838         2.024178380        -1.263047833    
H         -2.367304510        -1.117396529         1.069515181    
H         -3.279610637        -1.028943767       -0.1819323624    
H          1.729148043        -2.324544104         1.351205362    
H        -0.5962908366        -2.555129392         2.062618311    
H         -1.910134235        -2.755948785         2.917548604    
H          2.067474098         1.850826867       -0.5701466990    
    18
Energy=    -6256.57076780516    
O         -1.040698206         1.495212627       -0.7078947220    
O          2.722994145        -1.409447617        0.1871616778    
O          1.737481570         1.003534419       -0.9055502715    
O         -2.794814569       -0.4328811142        0.4098517911    
O          1.180048589        -2.811120110         2.093986689    
O         -1.631612645        -2.417835130         2.050816141    
H          1.741143428        -2.672770813         2.873308982    
H          3.108057354        -1.819431046       -0.6034889654    
H          2.359558257       -0.5018043303       -0.1836537928    
H         0.7056538333         1.156805101       -0.8809781130    
H         -1.675941472        0.7793138734       -0.2878433806    
H         -1.636296023         2.023796043        -1.263724196    
H         -2.367299595        -1.117241957         1.069694795    
H         -3.279564405        -1.028955275       -0.1816923340    
H          1.729156666        -2.324727486         1.351068124    
H        -0.5961977333        -2.555071224         2.062609605    
H         -1.910061629        -2.755840946         2.917482591    
H          2.067424417         1.850961543       -0.5698302225    
    18
Energy=    -6256.57072032227    
O         -1.040895185         1.494773158       -0.7094066612    
O          2.722894190        -1.409384340        0.1871990795    
O          1.737556743         1.004303379       -0.9040197586    
O         -2.794719207       -0.4324625963        0.4102304420    
O          1.180053026        -2.812253434         2.093009642    
O         -1.631329294        -2.417036854         2.051386719    
H          1.741495887        -2.674998517         2.872344991    
H          3.107831959        -1.818704530       -0.6038369441    
H          2.359412011       -0.5015377606       -0.1830002408    
H         0.7056062010         1.157057371       -0.8805201052    
H         -1.676076145        0.7791968384       -0.2886909209    
H         -1.636131421         2.021954801        -1.266941101    
H         -2.367055768        -1.116658373         1.070166706    
H         -3.280007201        -1.028741884       -0.1806504513    
H          1.729200087        -2.325451925         1.350336017    
H        -0.5959913870        -2.555006456         2.062619637    
H         -1.909536864        -2.754241496         2.918482849    
H          2.066724352         1.851689177       -0.5673854989    
    18
Energy=    -6256.57061945642    
O         -1.040816200         1.495246554       -0.7096095046    
O          2.722431271        -1.409862565        0.1869681814    
O          1.737308627         1.004246366       -0.9035192151    
O         -2.794064180       -0.4319702632        0.4106298820    
O          1.180286687        -2.812567212         2.093059021    
O         -1.630858837        -2.416696707         2.051682945    
H          1.740497284        -2.672611688         2.872687599    
H          3.106966471        -1.818932057       -0.6043891466    
H          2.358963258       -0.5018987392       -0.1829208165    
H         0.7053371395         1.156994880       -0.8803336559    
H         -1.675901437        0.7797133037       -0.2885528282    
H         -1.635876307         2.021390864        -1.268295911    
H         -2.366512831        -1.116280494         1.070555620    
H         -3.279173669        -1.028303438       -0.1803305025    
H          1.729349562        -2.326035178         1.350063818    
H        -0.5955188109        -2.554899107         2.062856604    
H         -1.909648656        -2.756688620         2.917484831    
H          2.066262610         1.851650658       -0.5667125225    
    18
Energy=    -6256.57048563033    
O         -1.040723313         1.495892408       -0.7099192278    
O          2.721756729        -1.410473867        0.1864961750    
O          1.737070825         1.004109484       -0.9036342187    
O         -2.793038454       -0.4313533311        0.4110199753    
O          1.180635171        -2.812525515         2.093723486    
O         -1.630370821        -2.416655126         2.051915643    
H          1.739563617        -2.669194825         2.873735880    
H          3.106118338        -1.819716098       -0.6048397283    
H          2.358435886       -0.5024479890       -0.1833460364    
H         0.7050895442         1.156927427       -0.8808940521    
H         -1.675490644        0.7803466413       -0.2884239688    
H         -1.636091188         2.021608739        -1.268704197    
H         -2.365758571        -1.115920781         1.070835647    
H         -3.278176736        -1.027397501       -0.1801879954    
H          1.729431340        -2.326450865         1.350225990    
H        -0.5949808527        -2.554799860         2.063302112    
H         -1.910067722        -2.760701486         2.915863447    
H          2.065628834         1.851249102       -0.5658445335    
    18
Energy=    -6256.57037716354    
O         -1.040495020         1.496859881       -0.7090651051    
O          2.721267102        -1.411129828        0.1860263659    
O          1.736878986         1.003341827       -0.9048812900    
O         -2.792342496       -0.4311431694        0.4111678093    
O          1.180932187        -2.811704743         2.095074615    
O         -1.630145877        -2.417151285         2.051682881    
H          1.738263430        -2.664088404         2.875334987    
H          3.105598973        -1.820935473       -0.6050677761    
H          2.358131466       -0.5031642366       -0.1841590184    
H         0.7049890957         1.156568868       -0.8815646283    
H         -1.675026181        0.7810330814       -0.2876143300    
H         -1.636477715         2.023260944        -1.266541329    
H         -2.365299470        -1.116056177         1.070786885    
H         -3.276902607        -1.026870255       -0.1808936093    
H          1.729496503        -2.326377410         1.350899439    
H        -0.5946734417        -2.554699665         2.063715219    
H         -1.910861875        -2.765660674         2.913569995    
H          2.065698923         1.850413275       -0.5671467109    
    18
Energy=    -6256.57030657510    
O         -1.040286189         1.497609364       -0.7080416352    
O          2.720921723        -1.411593095        0.1856412191    
O          1.736708530         1.002554207       -0.9063972273    
O         -2.791840769       -0.4311439137        0.4110940304    
O          1.181136596        -2.810546510         2.096543407    
O         -1.630111822        -2.417900484         2.051232942    
H          1.737469901        -2.659893817         2.876969250    
H          3.105388923        -1.822111965       -0.6050228947    
H          2.357912851       -0.5037889829       -0.1851210828    
H         0.7049379557         1.156345565       -0.8823837345    
H         -1.674629436        0.7814744064       -0.2869090643    
H         -1.636885997         2.025331208        -1.263611550    
H         -2.365098105        -1.116337612         1.070576290    
H         -3.275924853        -1.026531946       -0.1816789030    
H          1.729461329        -2.325982682         1.351779238    
H        -0.5945332896        -2.554664344         2.064014077    
H         -1.911649958        -2.769783532         2.911498594    
H          2.066054593         1.849460690       -0.5688585565    
    18
Energy=    -6256.57026184067    
O         -1.040188933         1.498202489       -0.7074014174    
O          2.720717638        -1.411886317        0.1853800407    
O          1.736658401         1.001956851       -0.9075771345    
O         -2.791578386       -0.4312272196        0.4110419363    
O          1.181265044        -2.809681454         2.097647448    
O         -1.630124126        -2.418511220         2.050880266    
H          1.736956141        -2.656961703         2.878120733    
H          3.105332128        -1.822952349       -0.6049493827    
H          2.357792544       -0.5042159762       -0.1858286595    
H         0.7049842194         1.156190584       -0.8829766383    
H         -1.674384303        0.7818223887       -0.2865244372    
H         -1.637298781         2.027060996        -1.261329208    
H         -2.364985355        -1.116580638         1.070436505    
H         -3.275322848        -1.026447705       -0.1821971305    
H          1.729405314        -2.325645674         1.352446955    
H        -0.5944749057        -2.554660775         2.064225334    
H         -1.912230809        -2.772678089         2.910069156    
H          2.066509000         1.848712366       -0.5701399689    
    18
Energy=    -6256.57021645345    
O         -1.040127005         1.499025098       -0.7064602685    
O          2.720494447        -1.412204802        0.1851095271    
O          1.736514227         1.001172611       -0.9089177772    
O         -2.791285114       -0.4314265575        0.4109445636    
O          1.181388784        -2.808559422         2.098944585    
O         -1.630164144        -2.419319274         2.050408032    
H          1.736354225        -2.653447654         2.879462498    
H          3.105136769        -1.823903267       -0.6048705299    
H          2.357590493       -0.5047291870       -0.1866676545    
H         0.7049991998         1.156180884       -0.8834911234    
H         -1.674164947        0.7823001795       -0.2860538938    
H         -1.637596401         2.029167367        -1.258802016    
H         -2.364873065        -1.116875890         1.070305113    
H         -3.274577936        -1.026578228       -0.1827117429    
H          1.729341341        -2.325206587         1.353247488    
H        -0.5944310454        -2.554723840         2.064440578    
H         -1.912882102        -2.776049024         2.908322278    
H          2.067314256         1.847674150       -0.5718852599    
    18
Energy=    -6256.57014581433    
O         -1.040203293         1.499838437       -0.7062259223    
O          2.720195930        -1.412443803        0.1849144999    
O          1.736418097         1.000664715       -0.9096335727    
O         -2.790953690       -0.4315163882        0.4109953745    
O          1.181495078        -2.807859731         2.099769937    
O         -1.630117112        -2.419874076         2.050222287    
H          1.735968254        -2.651066322         2.880290467    
H          3.104884044        -1.824441846       -0.6049144544    
H          2.357292803       -0.5051089017       -0.1872744107    
H         0.7050095619         1.156296979       -0.8837896037    
H         -1.674107703        0.7829201783       -0.2860745868    
H         -1.637812330         2.030569959        -1.257885930    
H         -2.364665536        -1.116963495         1.070406315    
H         -3.274066527        -1.026875723       -0.1825853134    
H          1.729233741        -2.324957187         1.353644520    
H        -0.5943222656        -2.554830032         2.064649041    
H         -1.913295218        -2.778634992         2.907165637    
H          2.068078149         1.846778786       -0.5723498859    
    18
Energy=    -6256.57006516599    
O         -1.040353236         1.500391905       -0.7062240445    
O          2.720058890        -1.412534558        0.1848567176    
O          1.736259368         1.000474388       -0.9095595481    
O         -2.790728783       -0.4315490501        0.4111201417    
O          1.181562140        -2.807802093         2.099846766    
O         -1.630001917        -2.420009390         2.050314337    
H          1.735593702        -2.649889204         2.880435546    
H          3.104440838        -1.824542850       -0.6050756253    
H          2.357037229       -0.5052442099       -0.1873379982    
H         0.7049222116         1.156594941       -0.8836009040    
H         -1.674207331        0.7833952656       -0.2862236118    
H         -1.637618110         2.030842810        -1.258577287    
H         -2.364439581        -1.116812451         1.070686892    
H         -3.273753733        -1.027242176       -0.1821798262    
H          1.729240697        -2.325044063         1.353557375    
H        -0.5941964752        -2.554967417         2.064730522    
H         -1.913361953        -2.779814852         2.906728955    
H          2.068578029         1.846249563       -0.5721740083    
    18
Energy=    -6256.57002615319    
O         -1.040436873         1.500474426       -0.7065045209    
O          2.719999339        -1.412516328        0.1848951156    
O          1.736215934         1.000571895       -0.9092010035    
O         -2.790656816       -0.4314849054        0.4112232418    
O          1.181571626        -2.808034750         2.099560393    
O         -1.629930174        -2.419872219         2.050497164    
H          1.735565891        -2.650148389         2.880178206    
H          3.104280599        -1.824334201       -0.6051802356    
H          2.356943020       -0.5052016296       -0.1872047854    
H         0.7048662029         1.156720330       -0.8834230516    
H         -1.674313824        0.7835520324       -0.2864255675    
H         -1.637449500         2.030444922        -1.259602740    
H         -2.364346532        -1.116659418         1.070864931    
H         -3.273751557        -1.027377822       -0.1818100922    
H          1.729256263        -2.325188478         1.353296543    
H        -0.5941392434        -2.555015850         2.064740107    
H         -1.913249481        -2.779649131         2.906935637    
H          2.068607110         1.846216072       -0.5715149439    
    18
Energy=    -6256.57000186122    
O         -1.040487849         1.500451287       -0.7067015236    
O          2.719989703        -1.412462447        0.1849487238    
O          1.736160559         1.000709632       -0.9087822724    
O         -2.790637689       -0.4314135596        0.4113117601    
O          1.181591625        -2.808365365         2.099192539    
O         -1.629860075        -2.419678812         2.050673520    
H          1.735532296        -2.650582652         2.879862547    
H          3.104093789        -1.824112908       -0.6052798340    
H          2.356898979       -0.5050944553       -0.1869717841    
H         0.7047831783         1.156829675       -0.8831864392    
H         -1.674418104        0.7836099989       -0.2865430879    
H         -1.637212795         2.029872094        -1.260652622    
H         -2.364274670        -1.116503283         1.071007531    
H         -3.273775285        -1.027448555       -0.1815438703    
H          1.729306685        -2.325350262         1.353009586    
H        -0.5940866233        -2.555053042         2.064706125    
H         -1.913102865        -2.779201410         2.907236688    
H          2.068531125         1.846290621       -0.5709631885    
    18
Energy=    -6256.56995776134    
O         -1.040374032         1.500380777       -0.7066538377    
O          2.719953302        -1.412460297        0.1850412443    
O          1.736032016         1.000495359       -0.9090186449    
O         -2.790613165       -0.4314581695        0.4112946632    
O          1.181670200        -2.808181344         2.099307050    
O         -1.629881809        -2.419804567         2.050570191    
H          1.735440470        -2.650019603         2.880011361    
H          3.103970365        -1.824112012       -0.6052188943    
H          2.356761347       -0.5051651348       -0.1869242868    
H         0.7046787848         1.156802900       -0.8833297742    
H         -1.674490022        0.7836079451       -0.2865586993    
H         -1.636940974         2.030393844        -1.259952283    
H         -2.364217589        -1.116536416         1.070985032    
H         -3.273654416        -1.027547101       -0.1815899389    
H          1.729418121        -2.325217234         1.353050892    
H        -0.5941038794        -2.555100268         2.064707518    
H         -1.913258924        -2.779610871         2.906960846    
H          2.068642188         1.846028747       -0.5713580400    
    18
Energy=    -6256.56982710914    
O         -1.040116511         1.501442932       -0.7061404883    
O          2.719021767        -1.412896960        0.1847289054    
O          1.735511870         1.000312685       -0.9088948794    
O         -2.789792030       -0.4313803811        0.4113258925    
O          1.182107815        -2.807462090         2.100683913    
O         -1.629712771        -2.420635200         2.049809670    
H          1.736516454        -2.649416426         2.881047047    
H          3.102203823        -1.824668720       -0.6059388630    
H          2.355674666       -0.5054201233       -0.1867956774    
H         0.7042319490         1.157240566       -0.8830179985    
H         -1.674317635        0.7846059888       -0.2861920099    
H         -1.636314268         2.030159087        -1.261247097    
H         -2.363198608        -1.116742560         1.070681322    
H         -3.273520059        -1.027132483       -0.1814001025    
H          1.729546019        -2.324780395         1.353959914    
H        -0.5938969263        -2.555310817         2.064869885    
H         -1.913635884        -2.781312649         2.905706976    
H          2.068722311         1.845894103       -0.5718620101    
    18
Energy=    -6256.56954555772    
O         -1.039523389         1.503025709       -0.7036488912    
O          2.717832325        -1.413922624        0.1842444167    
O          1.734974120        0.9988106942       -0.9115230800    
O         -2.788831757       -0.4317683075        0.4106743434    
O          1.182671955        -2.804274017         2.104566065    
O         -1.629864983        -2.422987691         2.047800192    
H          1.737003713        -2.644080495         2.884550769    
H          3.100843228        -1.826663952       -0.6060038982    
H          2.354740690       -0.5067867971       -0.1881352049    
H         0.7039693318         1.157006236       -0.8837907747    
H         -1.673569772        0.7854730668       -0.2847284819    
H         -1.636527519         2.034321567        -1.255279105    
H         -2.362671101        -1.118016684         1.069326698    
H         -3.272630870        -1.026730028       -0.1828270315    
H          1.729727370        -2.323072009         1.356595929    
H        -0.5938541472        -2.555430302         2.065129217    
H         -1.915205749        -2.787195808         2.901724491    
H          2.069948537         1.844787998       -0.5773512543    
    18
Energy=    -6256.56926739953    
O         -1.039193180         1.504245768       -0.7017303128    
O          2.717196976        -1.414626567        0.1837573210    
O          1.734793117        0.9977636856       -0.9135252494    
O         -2.788276042       -0.4321172616        0.4101758828    
O          1.182877081        -2.801937001         2.107421716    
O         -1.630022661        -2.424633985         2.046374168    
H          1.737291978        -2.640269591         2.887114251    
H          3.100309348        -1.828294853       -0.6059933244    
H          2.354233060       -0.5077640702       -0.1893646212    
H         0.7040086088         1.156784719       -0.8844162956    
H         -1.672904900        0.7859933197       -0.2836461391    
H         -1.637164510         2.037346987        -1.250674031    
H         -2.362432187        -1.118986002         1.068367177    
H         -3.272047926        -1.026387049       -0.1840436178    
H          1.729622241        -2.321902028         1.358613929    
H        -0.5938692442        -2.555433127         2.065333873    
H         -1.916230885        -2.791413837         2.898924854    
H          2.070841108         1.844127449       -0.5813651834    
    18
Energy=    -6256.56914085205    
O         -1.039129430         1.504660311       -0.7008520059    
O          2.717145498        -1.414968159        0.1835107853    
O          1.734883987        0.9972026155       -0.9147084867    
O         -2.788211114       -0.4324021590        0.4098136138    
O          1.182793370        -2.800775949         2.108613388    
O         -1.630210570        -2.425301698         2.045875249    
H          1.737027668        -2.638152908         2.888234425    
H          3.100827369        -1.829075116       -0.6057494656    
H          2.354357168       -0.5082674928       -0.1901256927    
H         0.7042185592         1.156544748       -0.8848255716    
H         -1.672540228        0.7859598593       -0.2832169449    
H         -1.637870815         2.039319718        -1.247488680    
H         -2.362650189        -1.119442106         1.067965619    
H         -3.271827864        -1.026418082       -0.1847699083    
H          1.729482825        -2.321402491         1.359447794    
H        -0.5939797129        -2.555354921         2.065416738    
H         -1.916693218        -2.793410446         2.897757896    
H          2.071408679         1.843780832       -0.5835743529    
    18
Energy=    -6256.56905116035    
O         -1.039237016         1.504885299       -0.7005352482    
O          2.717179424        -1.415141235        0.1833600871    
O          1.735102424        0.9969708276       -0.9153468080    
O         -2.788223607       -0.4325967175        0.4095976331    
O          1.182712065        -2.800169728         2.109187456    
O         -1.630324212        -2.425609529         2.045705279    
H          1.736844357        -2.637144048         2.888803650    
H          3.101350546        -1.829491991       -0.6055679799    
H          2.354558808       -0.5085674299       -0.1906283290    
H         0.7044955439         1.156339371       -0.8850372220    
H         -1.672314213        0.7859195197       -0.2831099952    
H         -1.638569074         2.040490735        -1.245716304    
H         -2.362891171        -1.119707748         1.067787468    
H         -3.271829226        -1.026447963       -0.1851290734    
H          1.729390614        -2.321232640         1.359845282    
H        -0.5940531823        -2.555302748         2.065513591    
H         -1.916938737        -2.794392146         2.897253561    
H          2.071778640         1.843694728       -0.5846586495    
    18
Energy=    -6256.56888377412    
O         -1.039199854         1.505242596       -0.6989229021    
O          2.717382401        -1.415204372        0.1833075811    
O          1.735243936        0.9961197273       -0.9169063249    
O         -2.788493779       -0.4330333151        0.4093289184    
O          1.182755035        -2.799030792         2.110106243    
O         -1.630460744        -2.426234149         2.045192996    
H          1.735886061        -2.633995396         2.889856508    
H          3.101657905        -1.830222617       -0.6052606256    
H          2.354823750       -0.5090156617       -0.1913614467    
H         0.7047996227         1.155719262       -0.8852724309    
H         -1.672108491        0.7859759644       -0.2822085699    
H         -1.638952966         2.042583544        -1.242045477    
H         -2.363432288        -1.120344423         1.067473714    
H         -3.271126292        -1.026597723       -0.1863200602    
H          1.729447716        -2.320876048         1.360443954    
H        -0.5941179694        -2.555265974         2.065617272    
H         -1.917629114        -2.796461795         2.895885607    
H          2.072557054         1.843137728       -0.5875905563    
    18
Energy=    -6256.56863416745    
O         -1.038707719         1.506079179       -0.6955409117    
O          2.717324580        -1.415406226        0.1836586610    
O          1.734843542        0.9945644939       -0.9204995364    
O         -2.788475342       -0.4334306867        0.4089872758    
O          1.183497315        -2.796896115         2.112968700    
O         -1.630287848        -2.428028679         2.043164115    
H          1.735064745        -2.627843119         2.893166076    
H          3.099432628        -1.832241644       -0.6048685528    
H          2.354975214       -0.5095365552       -0.1924110540    
H         0.7044852545         1.155283260       -0.8862694174    
H         -1.671897924        0.7858913241       -0.2800469544    
H         -1.638689342         2.046644153        -1.235238991    
H         -2.363969882        -1.121594505         1.066618773    
H         -3.269542863        -1.026127875       -0.1888708698    
H          1.730022379        -2.319769946         1.362387529    
H        -0.5937451645        -2.555830141         2.065655571    
H         -1.919246947        -2.801032641         2.892081513    
H          2.073949358         1.841772278       -0.5936175278    
    18
Energy=    -6256.56830732419    
O         -1.038294509         1.506596346       -0.6926699404    
O          2.717317940        -1.415106497        0.1840550355    
O          1.734594040        0.9931521168       -0.9231782205    
O         -2.788756212       -0.4337662489        0.4090308240    
O          1.184183589        -2.795478531         2.114882083    
O         -1.629959507        -2.429405768         2.041486527    
H          1.734116083        -2.622953091         2.895425407    
H          3.097112228        -1.833684200       -0.6045986701    
H          2.354814849       -0.5096887343       -0.1930386869    
H         0.7044501853         1.154520240       -0.8869072788    
H         -1.671895909        0.7861715585       -0.2781971311    
H         -1.638070197         2.049368142        -1.230345756    
H         -2.364363575        -1.122656846         1.066008025    
H         -3.267944614        -1.025792276       -0.1909396037    
H          1.730580832        -2.318982820         1.363830306    
H        -0.5932986180        -2.556192687         2.065685835    
H         -1.920487489        -2.804225105         2.889058295    
H          2.074932865         1.840620958       -0.5982626515    
    18
Energy=    -6256.56805965329    
O         -1.037927564         1.506890140       -0.6909853688    
O          2.717099099        -1.414905129        0.1843094975    
O          1.734222037        0.9923994716       -0.9244678022    
O         -2.788767977       -0.4338579766        0.4091793312    
O          1.184746230        -2.794846550         2.115914950    
O         -1.629700075        -2.430140508         2.040491866    
H          1.733853603        -2.620446806         2.896617037    
H          3.095179262        -1.834352997       -0.6046638826    
H          2.354524743       -0.5096325823       -0.1930934000    
H         0.7041647063         1.154180235       -0.8871145748    
H         -1.672030896        0.7865674970       -0.2769720543    
H         -1.637133154         2.050273995        -1.228571078    
H         -2.364329586        -1.123261339         1.065661226    
H         -3.266929159        -1.025459965       -0.1920181586    
H          1.731007710        -2.318522046         1.364613274    
H        -0.5930058998        -2.556485541         2.065651988    
H         -1.921237496        -2.805835751         2.887327777    
H          2.075296402         1.839932410       -0.6005562282    
    18
Energy=    -6256.56789802708    
O         -1.037632690         1.507144692       -0.6899785212    
O          2.716795600        -1.414828012        0.1844142769    
O          1.733874521        0.9920080461       -0.9249516020    
O         -2.788700891       -0.4338457127        0.4093149184    
O          1.185072433        -2.794569032         2.116453786    
O         -1.629524781        -2.430523893         2.039901502    
H          1.733813535        -2.619212598         2.897205152    
H          3.093830088        -1.834659280       -0.6048431560    
H          2.354241986       -0.5095528645       -0.1929812898    
H         0.7038705832         1.154035634       -0.8870417916    
H         -1.672081299        0.7869927888       -0.2761559032    
H         -1.636352348         2.050256488        -1.228272028    
H         -2.364124998        -1.123520315         1.065465949    
H         -3.266284652        -1.025294477       -0.1925157761    
H          1.731211354        -2.318231533         1.365034324    
H        -0.5928360148        -2.556621391         2.065537150    
H         -1.921529135        -2.806657776         2.886383235    
H          2.075388691         1.839575791       -0.6016458290    
    18
Energy=    -6256.56774948631    
O         -1.037285294         1.507455981       -0.6888246662    
O          2.716465171        -1.414835977        0.1844798031    
O          1.733501043        0.9915867674       -0.9254567811    
O         -2.788716758       -0.4338406419        0.4093969552    
O          1.185195942        -2.794168432         2.116881624    
O         -1.629393132        -2.430850072         2.039307581    
H          1.733505153        -2.617809415         2.897749878    
H          3.092790808        -1.835014746       -0.6049048446    
H          2.353956389       -0.5095615968       -0.1929804397    
H         0.7036193664         1.153844520       -0.8868832722    
H         -1.671969219        0.7873890474       -0.2752171314    
H         -1.635698622         2.050139799        -1.227784184    
H         -2.363990530        -1.123596860         1.065314331    
H         -3.265514473        -1.025398537       -0.1930117636    
H          1.731287468        -2.317825351         1.365384653    
H        -0.5927230714        -2.556636884         2.065217382    
H         -1.921538004        -2.807573275         2.885485262    
H          2.075539746         1.839192230       -0.6028299889    
    18
Energy=    -6256.56752126762    
O         -1.036676340         1.508087374       -0.6862719232    
O          2.716151458        -1.414975292        0.1846453370    
O          1.733093552        0.9905020512       -0.9264970726    
O         -2.788977364       -0.4339423975        0.4091373075    
O          1.185104952        -2.793168949         2.117614984    
O         -1.629371500        -2.431405193         2.038257309    
H          1.732034929        -2.614283300         2.898785872    
H          3.091690719        -1.835958744       -0.6047470095    
H          2.353630626       -0.5098501791       -0.1932429633    
H         0.7031670573         1.153585533       -0.8865747345    
H         -1.671549999        0.7876982760       -0.2733832134    
H         -1.634969824         2.050575822        -1.225458456    
H         -2.364067897        -1.123542167         1.065131577    
H         -3.263963194        -1.026102667       -0.1940614020    
H          1.731276816        -2.317021229         1.365938469    
H        -0.5925019819        -2.556508196         2.064350552    
H         -1.921194413        -2.809698129         2.883787619    
H          2.076154389         1.838503945       -0.6060878555    
    18
Energy=    -6256.56734942960    
O         -1.036368837         1.508462399       -0.6847379136    
O          2.716040029        -1.415145437        0.1847550749    
O          1.732900703        0.9898917937       -0.9272864423    
O         -2.789227525       -0.4340771894        0.4089365734    
O          1.184911451        -2.792462594         2.117964723    
O         -1.629356816        -2.431673580         2.037661056    
H          1.730889754        -2.611970504         2.899432560    
H          3.091379908        -1.836591582       -0.6044937522    
H          2.353580437       -0.5101250099       -0.1934752005    
H         0.7030882945         1.153317812       -0.8864021649    
H         -1.671208226        0.7878162340       -0.2722972888    
H         -1.634866916         2.051070452        -1.223556900    
H         -2.364295358        -1.123449157         1.065069438    
H         -3.263043681        -1.026728614       -0.1947459892    
H          1.731224563        -2.316533411         1.366203320    
H        -0.5924398209        -2.556375160         2.063722257    
H         -1.920860235        -2.811047549         2.882809749    
H          2.076684261         1.838117654       -0.6082347022    
    18
Energy=    -6256.56717562239    
O         -1.036209953         1.508739360       -0.6833965570    
O          2.716196761        -1.415306077        0.1849036064    
O          1.732953296        0.9892802746       -0.9281677321    
O         -2.789625776       -0.4342796760        0.4086109924    
O          1.184563545        -2.791711404         2.118228019    
O         -1.629392024        -2.431892694         2.037174448    
H          1.729474111        -2.609612257         2.900052694    
H          3.091609222        -1.837299886       -0.6040121162    
H          2.353685482       -0.5105169852       -0.1939016663    
H         0.7032497510         1.153037155       -0.8863947966    
H         -1.670791237        0.7876167389       -0.2714975118    
H         -1.635279309         2.052109293        -1.220861107    
H         -2.364775374        -1.123285021         1.065070474    
H         -3.262294950        -1.027491881       -0.1954368795    
H          1.731128461        -2.316106471         1.366423210    
H        -0.5923758921        -2.556230405         2.063116029    
H         -1.920436729        -2.812367350         2.881965178    
H          2.077352598         1.837813841       -0.6105518860    
    18
Energy=    -6256.56711248059    
O         -1.036225802         1.508795714       -0.6830467152    
O          2.716319036        -1.415347971        0.1849707489    
O          1.733039045        0.9891091610       -0.9284967397    
O         -2.789763094       -0.4343735231        0.4084905220    
O          1.184444602        -2.791469099         2.118298309    
O         -1.629388554        -2.431942742         2.037050826    
H          1.728985493        -2.608873602         2.900266523    
H          3.091765143        -1.837546843       -0.6038088312    
H          2.353770222       -0.5106584764       -0.1940661664    
H         0.7033846532         1.152934053       -0.8864363853    
H         -1.670681409        0.7874812282       -0.2713343119    
H         -1.635545961         2.052610125        -1.219824335    
H         -2.365005160        -1.123260868         1.065096438    
H         -3.262126481        -1.027719546       -0.1956717714    
H          1.731125978        -2.316013121         1.366482621    
H        -0.5923405119        -2.556216600         2.062957608    
H         -1.920339051        -2.812761595         2.881717266    
H          2.077613834         1.837750261       -0.6113212086    
    18
Energy=    -6256.56707262863    
O         -1.036345155         1.508764985       -0.6828812411    
O          2.716493686        -1.415379403        0.1850486186    
O          1.733190450        0.9890013685       -0.9288285892    
O         -2.789831687       -0.4345089390        0.4083707727    
O          1.184338949        -2.791267518         2.118341594    
O         -1.629376674        -2.431937822         2.036994060    
H          1.728553953        -2.608305473         2.900458678    
H          3.092000730        -1.837760754       -0.6035848981    
H          2.353928773       -0.5107801515       -0.1942065748    
H         0.7035934319         1.152846667       -0.8865299851    
H         -1.670691840        0.7872662228       -0.2713323890    
H         -1.635890614         2.053271180        -1.218743225    
H         -2.365264669        -1.123339787         1.065165534    
H         -3.262094253        -1.027846237       -0.1958763400    
H          1.731175610        -2.316011920         1.366512218    
H        -0.5922912012        -2.556215582         2.062873523    
H         -1.920341212        -2.813035207         2.881537526    
H          2.077883707         1.837734924       -0.6119948851    
    18
Energy=    -6256.56698176809    
O         -1.036487403         1.508799005       -0.6823509946    
O          2.716642633        -1.415471236        0.1850399490    
O          1.733320104        0.9887943516       -0.9291640965    
O         -2.789749291       -0.4347694317        0.4082884011    
O          1.184082748        -2.790936449         2.118342078    
O         -1.629417400        -2.431847622         2.036906579    
H          1.727894863        -2.607394903         2.900670267    
H          3.092405765        -1.837996099       -0.6033774123    
H          2.354130544       -0.5109823348       -0.1943811170    
H         0.7037605415         1.152774208       -0.8864847178    
H         -1.670915187        0.7871119780       -0.2711225656    
H         -1.636080399         2.053863348        -1.217652972    
H         -2.365451253        -1.123652225         1.065253344    
H         -3.261885399        -1.028012884       -0.1961503018    
H          1.731152962        -2.316053329         1.366467789    
H        -0.5922992631        -2.555925564         2.062699822    
H         -1.920336549        -2.813493447         2.881291278    
H          2.078263968         1.837689190       -0.6129509305    
    18
Energy=    -6256.56683417812    
O         -1.036632093         1.508603166       -0.6815769993    
O          2.716972653        -1.415682964        0.1850749752    
O          1.733296075        0.9884775224       -0.9298672268    
O         -2.789734204       -0.4351602879        0.4081671777    
O          1.183686371        -2.790428259         2.118428901    
O         -1.629775108        -2.431729749         2.036839391    
H          1.726933372        -2.605834076         2.900862985    
H          3.093363340        -1.838225262       -0.6030563244    
H          2.354521284       -0.5112896912       -0.1946033832    
H         0.7039185930         1.152672455       -0.8866144050    
H         -1.671286625        0.7867807259       -0.2708288144    
H         -1.636131164         2.055059655        -1.215425478    
H         -2.365528683        -1.124273260         1.065246945    
H         -3.261520215        -1.028305794       -0.1965822637    
H          1.731048994        -2.316099200         1.366403422    
H        -0.5925121754        -2.555235586         2.062424115    
H         -1.920383389        -2.814269327         2.880932971    
H          2.078794956         1.837436486       -0.6145015894    
    18
Energy=    -6256.56668935915    
O         -1.036577844         1.508654819       -0.6807381841    
O          2.717056424        -1.415842767        0.1849056723    
O          1.733135752        0.9881965809       -0.9300563470    
O         -2.789641085       -0.4354125656        0.4081821490    
O          1.183409071        -2.790114823         2.118364319    
O         -1.630050915        -2.431629607         2.036873672    
H          1.726354493        -2.604744665         2.900846718    
H          3.094034372        -1.838232654       -0.6030472103    
H          2.354658575       -0.5114968532       -0.1947613090    
H         0.7037801622         1.152648656       -0.8863933442    
H         -1.671573554        0.7868523950       -0.2703221411    
H         -1.635763005         2.055192233        -1.214824201    
H         -2.365415446        -1.124709789         1.065155709    
H         -3.261097184        -1.028505703       -0.1968594982    
H          1.730896811        -2.316101131         1.366256335    
H        -0.5927631928        -2.554656983         2.062304374    
H         -1.920464122        -2.814824502         2.880784590    
H          2.079052671         1.837223915       -0.6153469051    
    18
Energy=    -6256.56654085700    
O         -1.036372996         1.508516230       -0.6799259001    
O          2.717377580        -1.416018154        0.1847575909    
O          1.732911209        0.9877458246       -0.9305278444    
O         -2.789839502       -0.4357233960        0.4080966929    
O          1.183156704        -2.789706108         2.118283815    
O         -1.630492868        -2.431607729         2.037069936    
H          1.725600650        -2.603110629         2.900769495    
H          3.095288502        -1.838142348       -0.6029424021    
H          2.354914958       -0.5117942055       -0.1950390944    
H         0.7035935665         1.152487957       -0.8863171507    
H         -1.671714866        0.7868209945       -0.2698069633    
H         -1.635400398         2.055943377        -1.213107652    
H         -2.365442211        -1.125132997         1.064887525    
H         -3.260702245        -1.028850634       -0.1973654365    
H          1.730754310        -2.315990709         1.366085466    
H        -0.5931834018        -2.554176354         2.062384106    
H         -1.920790325        -2.815601692         2.880658846    
H          2.079373315         1.836837130       -0.6166366312    
    18
Energy=    -6256.56632955345    
O         -1.036049771         1.508829671       -0.6783281551    
O          2.717900467        -1.416409311        0.1843392879    
O          1.732507457        0.9871306096       -0.9306882242    
O         -2.790155186       -0.4361429412        0.4078769296    
O          1.182916623        -2.789232957         2.117967437    
O         -1.630929990        -2.431579330         2.037640740    
H          1.724341228        -2.600574560         2.900538128    
H          3.096961362        -1.837980548       -0.6031185936    
H          2.355169295       -0.5122604077       -0.1954743886    
H         0.7032352782         1.152373939       -0.8854948686    
H         -1.671707042        0.7871277498       -0.2686922621    
H         -1.634807444         2.056236417        -1.212087683    
H         -2.365648102        -1.125559279         1.064538740    
H         -3.260152280        -1.029350589       -0.1982200826    
H          1.730631504        -2.315896697         1.365626726    
H        -0.5936210955        -2.553962293         2.062850763    
H         -1.921462205        -2.816735807         2.880595826    
H          2.079901884         1.836482890       -0.6185459225    
    18
Energy=    -6256.56607271916    
O         -1.035811153         1.508411499       -0.6775451327    
O          2.718972130        -1.416628986        0.1842463616    
O          1.732545262        0.9862002949       -0.9317655100    
O         -2.790960104       -0.4368287167        0.4073443604    
O          1.182664008        -2.788498123         2.117709342    
O         -1.631360502        -2.431678808         2.038266466    
H          1.722628093        -2.597248296         2.900634404    
H          3.099590971        -1.837943162       -0.6026410303    
H          2.355898791       -0.5129236555       -0.1960839223    
H         0.7033224127         1.151832053       -0.8855399449    
H         -1.671543667        0.7866887743       -0.2683005379    
H         -1.635095651         2.059080658        -1.207173225    
H         -2.366559710        -1.125987713         1.064063920    
H         -3.260074502        -1.030027014       -0.1994729666    
H          1.730694943        -2.315623701         1.365328149    
H        -0.5940728153        -2.554154564         2.063582203    
H         -1.922538335        -2.818140421         2.880392283    
H          2.080731810         1.835966439       -0.6217208200    
    18
Energy=    -6256.56586624034    
O         -1.035731777         1.508458575       -0.6769087127    
O          2.719565639        -1.416820252        0.1841214433    
O          1.732563839        0.9857479434       -0.9321221786    
O         -2.791360758       -0.4371646826        0.4069859321    
O          1.182576507        -2.788131952         2.117508510    
O         -1.631466024        -2.431719125         2.038704945    
H          1.721624476        -2.595459738         2.900656625    
H          3.100868151        -1.837953495       -0.6025176144    
H          2.356237820       -0.5132725638       -0.1964339372    
H         0.7034196472         1.151602827       -0.8852775549    
H         -1.671390236        0.7865893969       -0.2679294580    
H         -1.635304743         2.060221951        -1.205303699    
H         -2.367175600        -1.126152380         1.063934380    
H         -3.260048465        -1.030366497       -0.2001926254    
H          1.730772055        -2.315539624         1.365059671    
H        -0.5941692901        -2.554492798         2.064097811    
H         -1.923174449        -2.818867413         2.880313392    
H          2.081225191         1.835816384       -0.6233725317    
    18
Energy=    -6256.56576078691    
O         -1.035775555         1.508284535       -0.6769313351    
O          2.719933138        -1.416832671        0.1841926954    
O          1.732753052        0.9855069282       -0.9325244436    
O         -2.791602284       -0.4373568504        0.4067355958    
O          1.182532666        -2.787916279         2.117465886    
O         -1.631471978        -2.431760449         2.038852427    
H          1.721161740        -2.594650160         2.900798314    
H          3.101548215        -1.838007690       -0.6022731728    
H          2.356502499       -0.5134379898       -0.1965928679    
H         0.7036601079         1.151384269       -0.8854717773    
H         -1.671302334        0.7863018903       -0.2680601508    
H         -1.635711691         2.061395448        -1.203526408    
H         -2.367668441        -1.126197384         1.063934157    
H         -3.260207971        -1.030518529       -0.2005539922    
H          1.730867317        -2.315487638         1.364992302    
H        -0.5941569114        -2.554778076         2.064344382    
H         -1.923507770        -2.819173309         2.880236484    
H          2.081478183         1.835740512       -0.6242936977    
    18
Energy=    -6256.56566166581    
O         -1.035781994         1.508301037       -0.6765752263    
O          2.720177014        -1.416859929        0.1841744034    
O          1.732888810        0.9852137004       -0.9328725347    
O         -2.791764122       -0.4374908632        0.4064875508    
O          1.182438098        -2.787649914         2.117430718    
O         -1.631616600        -2.431793996         2.038978709    
H          1.720886077        -2.593807519         2.900814663    
H          3.102254470        -1.837894808       -0.6021771207    
H          2.356676878       -0.5135557047       -0.1967487245    
H         0.7038857876         1.151061124       -0.8856305503    
H         -1.671189645        0.7861472544       -0.2679715188    
H         -1.635888198         2.062100764        -1.202396505    
H         -2.368141473        -1.126211039         1.064046164    
H         -3.260161396        -1.030699303       -0.2008908906    
H          1.730873269        -2.315473082         1.364820272    
H        -0.5942525714        -2.554929271         2.064512153    
H         -1.923823288        -2.819523880         2.880221141    
H          2.081570868         1.835561985       -0.6248983047    
    18
Energy=    -6256.56552931247    
O         -1.035410419         1.508033256       -0.6758433960    
O          2.720668935        -1.416836510        0.1841114227    
O          1.733049020        0.9843548901       -0.9340734704    
O         -2.792053373       -0.4377001303        0.4060128883    
O          1.182284822        -2.786815772         2.117523719    
O         -1.632229100        -2.431992845         2.039209366    
H          1.720565981        -2.591977093         2.900690233    
H          3.104126640        -1.837384527       -0.6017083265    
H          2.357021032       -0.5137556932       -0.1971477105    
H         0.7041423921         1.150263943       -0.8865318012    
H         -1.671106508        0.7855728542       -0.2679492880    
H         -1.635916127         2.063862641        -1.198943484    
H         -2.369043109        -1.126190771         1.064222820    
H         -3.259871800        -1.031183103       -0.2015935054    
H          1.730686653        -2.315377905         1.364570680    
H        -0.5949597494        -2.554827196         2.064599279    
H         -1.924410350        -2.820341063         2.880111150    
H          2.081487042         1.834791580       -0.6259361765    
    18
Energy=    -6256.56533066369    
O         -1.035077963         1.508054019       -0.6747182846    
O          2.720919394        -1.416827480        0.1839319900    
O          1.733042844        0.9836457227       -0.9349298333    
O         -2.792186050       -0.4378128487        0.4056518005    
O          1.182038928        -2.786148617         2.117562879    
O         -1.632950891        -2.432119798         2.039392257    
H          1.720523258        -2.590338917         2.900411320    
H          3.105704568        -1.836795911       -0.6015949584    
H          2.357156237       -0.5138755564       -0.1974733614    
H         0.7041978839         1.149500575       -0.8870152727    
H         -1.670954415        0.7853181373       -0.2675699559    
H         -1.635543708         2.064626318        -1.197096345    
H         -2.369679483        -1.126118069         1.064382840    
H         -3.259341929        -1.031621840       -0.2021242642    
H          1.730491018        -2.315352195         1.364261633    
H        -0.5956807505        -2.554557239         2.064576836    
H         -1.924896180        -2.821120368         2.880153668    
H          2.081269221         1.834040625       -0.6264785486    
    18
Energy=    -6256.56509801346    
O         -1.034667166         1.508117834       -0.6736100217    
O          2.721008374        -1.416851804        0.1837472581    
O          1.732902708        0.9830419700       -0.9356506647    
O         -2.792301174       -0.4378874629        0.4054857706    
O          1.181891337        -2.785599654         2.117628872    
O         -1.633758669        -2.432226223         2.039520907    
H          1.720659656        -2.589003117         2.900071198    
H          3.107000375        -1.836132254       -0.6015915379    
H          2.357205650       -0.5139640984       -0.1977371641    
H         0.7040806205         1.148868465       -0.8873267313    
H         -1.670826934        0.7852397345       -0.2671151500    
H         -1.634919191         2.064863420        -1.195955665    
H         -2.369918358        -1.126043913         1.064447581    
H         -3.258730884        -1.032021032       -0.2025263582    
H          1.730228119        -2.315336870         1.363955297    
H        -0.5965480179        -2.554064465         2.064442739    
H         -1.925195497        -2.821796693         2.880217718    
H          2.080921036         1.833292721       -0.6266796504    
    18
Energy=    -6256.56500056902    
O         -1.034509551         1.508274674       -0.6731103080    
O          2.720993795        -1.416898668        0.1836296248    
O          1.732751695        0.9829230727       -0.9357391109    
O         -2.792301436       -0.4378812617        0.4054792312    
O          1.181850655        -2.785495464         2.117622128    
O         -1.634052150        -2.432241640         2.039597569    
H          1.720755937        -2.588583075         2.899874031    
H          3.107295783        -1.835888526       -0.6017419724    
H          2.357146786       -0.5139890836       -0.1977742935    
H         0.7038926985         1.148715365       -0.8871521620    
H         -1.670751659        0.7853689654       -0.2668110314    
H         -1.634537223         2.064520847        -1.196218293    
H         -2.369855973        -1.125989709         1.064405814    
H         -3.258457860        -1.032153639       -0.2026068495    
H          1.730150505        -2.315398532         1.363847454    
H        -0.5968770390        -2.553864001         2.064381217    
H         -1.925259105        -2.822016224         2.880288451    
H          2.080796124         1.833093454       -0.6266471024    
    18
Energy=    -6256.56490186077    
O         -1.034415188         1.508519587       -0.6726863994    
O          2.720966401        -1.416969522        0.1835133869    
O          1.732564455        0.9829743979       -0.9357012415    
O         -2.792267950       -0.4378485603        0.4055263329    
O          1.181875344        -2.785534036         2.117599324    
O         -1.634293485        -2.432227426         2.039707054    
H          1.720861569        -2.588312284         2.899655851    
H          3.107331870        -1.835735663       -0.6019774356    
H          2.357045711       -0.5139893261       -0.1977654354    
H         0.7036092113         1.148654127       -0.8866610690    
H         -1.670638029        0.7855847712       -0.2665064893    
H         -1.634168551         2.063909894        -1.196993606    
H         -2.369685053        -1.125884669         1.064289861    
H         -3.258238069        -1.032242106       -0.2026126220    
H          1.730189001        -2.315552623         1.363804688    
H        -0.5971705759        -2.553725632         2.064298335    
H         -1.925276196        -2.822159812         2.880398042    
H          2.080741518         1.833035440       -0.6265641782    
    18
Energy=    -6256.56481427576    
O         -1.034410463         1.508683392       -0.6725454092    
O          2.720951407        -1.417013538        0.1834854177    
O          1.732487100        0.9830814951       -0.9356090680    
O         -2.792234610       -0.4378296439        0.4055731543    
O          1.181946775        -2.785649565         2.117591837    
O         -1.634376270        -2.432209167         2.039772286    
H          1.720916828        -2.588260381         2.899557223    
H          3.107199203        -1.835720341       -0.6021366565    
H          2.357007095       -0.5139682468       -0.1977189137    
H         0.7034606672         1.148673463       -0.8862937238    
H         -1.670571832        0.7857208279       -0.2664121122    
H         -1.634057346         2.063528106        -1.197568174    
H         -2.369571703        -1.125801046         1.064199179    
H         -3.258190735        -1.032263398       -0.2025702795    
H          1.730279883        -2.315692624         1.363820593    
H        -0.5972992436        -2.553700231         2.064243906    
H         -1.925260116        -2.822181402         2.880468813    
H          2.080755345         1.833098856       -0.6265336738    
    18
Energy=    -6256.56459481504    
O         -1.034164929         1.508366815       -0.6717760562    
O          2.720846113        -1.416925270        0.1830517881    
O          1.732420286        0.9825614895       -0.9367175815    
O         -2.792487170       -0.4379158348        0.4056728971    
O          1.181358261        -2.784572697         2.117404605    
O         -1.634758655        -2.432210989         2.039753179    
H          1.720778864        -2.587603676         2.899310153    
H          3.108708347        -1.835300070       -0.6015962914    
H          2.356620455       -0.5140984641       -0.1986743843    
H         0.7033266632         1.147930760       -0.8868591452    
H         -1.670456591        0.7857257258       -0.2653936316    
H         -1.633395167         2.063753280        -1.196545884    
H         -2.369792792        -1.126042523         1.064400159    
H         -3.257343925        -1.032421859       -0.2031686183    
H          1.729809032        -2.314941364         1.363600365    
H        -0.5975003004        -2.553289492         2.064327797    
H         -1.925524412        -2.822684137         2.880360089    
H          2.080587901         1.832164864       -0.6258250423    
    18
Energy=    -6256.56431303705    
O         -1.033798419         1.507563893       -0.6713742444    
O          2.721065534        -1.416653731        0.1830514360    
O          1.732696539        0.9821740783       -0.9386955380    
O         -2.792993298       -0.4381985342        0.4058442028    
O          1.180562194        -2.783108614         2.117547661    
O         -1.635155285        -2.432310664         2.039661728    
H          1.720585960        -2.586819185         2.899140818    
H          3.110872055        -1.835061335       -0.6007744593    
H          2.356543380       -0.5143907277       -0.1997783640    
H         0.7035492881         1.147259972       -0.8887353398    
H         -1.670407488        0.7855215326       -0.2642865043    
H         -1.633363257         2.065055868        -1.193629414    
H         -2.370529684        -1.126244175         1.064611797    
H         -3.256577401        -1.032772568       -0.2040238393    
H          1.729148294        -2.314158933         1.363386927    
H        -0.5977780481        -2.552859861         2.064378102    
H         -1.925787046        -2.823246292         2.880055040    
H          2.080398664         1.830745832       -0.6250556099    
    18
Energy=    -6256.56412767375    
O         -1.033649366         1.507206240       -0.6712330479    
O          2.721096488        -1.416541931        0.1830081002    
O          1.732783161        0.9818832471       -0.9393595979    
O         -2.793145783       -0.4383027134        0.4058551942    
O          1.180213852        -2.782484145         2.117559947    
O         -1.635240749        -2.432352064         2.039591437    
H          1.720476261        -2.586552401         2.899132154    
H          3.111739511        -1.834916922       -0.6004087374    
H          2.356481224       -0.5145067051       -0.2002031545    
H         0.7036811130         1.146974432       -0.8895495376    
H         -1.670448118        0.7853770209       -0.2639320709    
H         -1.633265550         2.065664197        -1.192352452    
H         -2.370814776        -1.126396029         1.064773793    
H         -3.256291249        -1.032866257       -0.2043533520    
H          1.728811245        -2.313741158         1.363253051    
H        -0.5977753043        -2.552705082         2.064456968    
H         -1.925903728        -2.823445908         2.879899355    
H          2.080283751         1.830202735       -0.6248136498    
    18
Energy=    -6256.56389085399    
O         -1.033473011         1.507002304       -0.6711131085    
O          2.721135919        -1.416487951        0.1830406361    
O          1.732812178        0.9816186600       -0.9395817887    
O         -2.793174208       -0.4383921206        0.4057900056    
O          1.179896416        -2.782046292         2.117622083    
O         -1.635212222        -2.432402189         2.039519193    
H          1.720437130        -2.586365406         2.899127901    
H          3.112279803        -1.834736512       -0.6003288076    
H          2.356480442       -0.5146398358       -0.2002542635    
H         0.7038330411         1.146890083       -0.8903136350    
H         -1.670567386        0.7853393520       -0.2636437020    
H         -1.633117126         2.066043509        -1.191569044    
H         -2.371028926        -1.126536667         1.064942075    
H         -3.256148919        -1.032968483       -0.2045246417    
H          1.728402902        -2.313528014         1.363052390    
H        -0.5976734892        -2.552609100         2.064566881    
H         -1.925952942        -2.823547306         2.879751251    
H          2.080102380         1.829862525       -0.6247590273    
    18
Energy=    -6256.56376862641    
O         -1.033424825         1.507022577       -0.6711301597    
O          2.721162737        -1.416507667        0.1830665978    
O          1.732790622        0.9815516846       -0.9394117652    
O         -2.793125343       -0.4384011162        0.4057180404    
O          1.179833898        -2.782033213         2.117650569    
O         -1.635168226        -2.432413202         2.039492889    
H          1.720479081        -2.586347639         2.899130025    
H          3.112226921        -1.834651926       -0.6004365197    
H          2.356505645       -0.5146759431       -0.2000720015    
H         0.7038716144         1.146938473       -0.8904556685    
H         -1.670625746        0.7854018120       -0.2635760906    
H         -1.633048461         2.066035888        -1.191616790    
H         -2.371022013        -1.126572672         1.064982634    
H         -3.256197510        -1.033012333       -0.2044823166    
H          1.728275391        -2.313610186         1.362984562    
H        -0.5976072883        -2.552607994         2.064601616    
H         -1.925932265        -2.823529372         2.879730650    
H          2.080037750         1.829909385       -0.6248518736    
    18
Energy=    -6256.56352543809    
O         -1.033377060         1.507036745       -0.6704064414    
O          2.721006626        -1.416712922        0.1829177009    
O          1.732614084        0.9812402947       -0.9396969172    
O         -2.793047821       -0.4384779543        0.4058905466    
O          1.179464512        -2.781654930         2.117596291    
O         -1.634993665        -2.432440850         2.039600943    
H          1.720329008        -2.586222653         2.898971649    
H          3.112757741        -1.834442560       -0.6004946306    
H          2.356207460       -0.5147453986       -0.2002506969    
H         0.7036754153         1.146924705       -0.8903577335    
H         -1.670585653        0.7853391505       -0.2634926285    
H         -1.632413152         2.065721348        -1.191867931    
H         -2.371079738        -1.126655351         1.065053482    
H         -3.255733171        -1.032877371       -0.2046315557    
H          1.727922810        -2.313006429         1.362678005    
H        -0.5975090158        -2.552535705         2.064770423    
H         -1.926007920        -2.823616975         2.879563625    
H          2.079801522         1.829623413       -0.6245197323    
    18
Energy=    -6256.56314254521    
O         -1.033030173         1.506650573       -0.6694102829    
O          2.720583350        -1.416423997        0.1825567624    
O          1.732393181        0.9810706580       -0.9415657870    
O         -2.793431772       -0.4383187933        0.4063395534    
O          1.179144985        -2.780463605         2.117142083    
O         -1.635216125        -2.432438213         2.039631918    
H          1.719790430        -2.585913786         2.898907969    
H          3.114745223        -1.834610538       -0.5995658833    
H          2.355802517       -0.5150215741       -0.2017407853    
H         0.7035274184         1.146584288       -0.8906494721    
H         -1.670570676        0.7843131478       -0.2636191733    
H         -1.631898055         2.066248928        -1.190037463    
H         -2.371495899        -1.126894056         1.065239231    
H         -3.254671333        -1.032591004       -0.2054052801    
H          1.727616429        -2.311370891         1.362706028    
H        -0.5974837278        -2.552364068         2.064945590    
H         -1.926359827        -2.824083357         2.879406983    
H          2.079586038         1.828122844       -0.6235575936    
    18
Energy=    -6256.56288759597    
O         -1.032969688         1.506434349       -0.6691108197    
O          2.720429159        -1.416309922        0.1824093462    
O          1.732368702        0.9809544356       -0.9422562567    
O         -2.793568949       -0.4382998440        0.4065007482    
O          1.179073819        -2.780081414         2.116985708    
O         -1.635317561        -2.432444194         2.039658292    
H          1.719582630        -2.585815222         2.898909502    
H          3.115459289        -1.834713742       -0.5991242469    
H          2.355635495       -0.5150136473       -0.2024504020    
H         0.7034555274         1.146372378       -0.8907363821    
H         -1.670532833        0.7839798587       -0.2636729972    
H         -1.631796604         2.066497555        -1.189274816    
H         -2.371661833        -1.126946289         1.065287393    
H         -3.254299374        -1.032467150       -0.2056928200    
H          1.727635275        -2.310760148         1.362752625    
H        -0.5975601438        -2.552275015         2.064967906    
H         -1.926501158        -2.824250204         2.879352818    
H          2.079600232         1.827634771       -0.6231812001    
    18
Energy=    -6256.56249871256    
O         -1.032927137         1.505432268       -0.6695191420    
O          2.720402563        -1.415664795        0.1823085930    
O          1.732687358        0.9808953032       -0.9440054302    
O         -2.794095423       -0.4382814971        0.4066338513    
O          1.179196734        -2.779473519         2.116922570    
O         -1.635781256        -2.432502972         2.039566133    
H          1.719197855        -2.585652600         2.899186803    
H          3.116924604        -1.835254998       -0.5976068839    
H          2.355687024       -0.5148960529       -0.2042123882    
H         0.7036430636         1.145760761       -0.8917401574    
H         -1.670469054        0.7830684417       -0.2639667956    
H         -1.632568148         2.068282648        -1.185785122    
H         -2.372209786        -1.126962710         1.065342455    
H         -3.254011615        -1.032371368       -0.2063460536    
H          1.728163513        -2.309823673         1.363183619    
H        -0.5979969271        -2.552079032         2.064776183    
H         -1.926788009        -2.824589315         2.879293948    
H          2.079976624         1.826609665       -0.6227077850    
    18
Energy=    -6256.56243297325    
O         -1.032918384         1.505301078       -0.6695872169    
O          2.720415533        -1.415581629        0.1822840416    
O          1.732735482        0.9808899156       -0.9442206910    
O         -2.794166815       -0.4382751506        0.4066402101    
O          1.179197143        -2.779416781         2.116947780    
O         -1.635826061        -2.432515877         2.039553352    
H          1.719153329        -2.585634063         2.899220865    
H          3.117090917        -1.835314461       -0.5974090638    
H          2.355712374       -0.5148979335       -0.2043935314    
H         0.7036760835         1.145698061       -0.8918936988    
H         -1.670466335        0.7829504374       -0.2640219640    
H         -1.632680480         2.068531743        -1.185316609    
H         -2.372280982        -1.126970661         1.065350962    
H         -3.253990635        -1.032364036       -0.2064184055    
H          1.728232111        -2.309708658         1.363222915    
H        -0.5980501080        -2.552057800         2.064752294    
H         -1.926819308        -2.824625409         2.879281913    
H          2.080018118         1.826487779       -0.6226687539    
    18
Energy=    -6256.56206506615    
O         -1.032910315         1.504283001       -0.6704398876    
O          2.720488289        -1.414995554        0.1824233947    
O          1.733058466        0.9807082379       -0.9452738313    
O         -2.794508455       -0.4383371896        0.4065375314    
O          1.179390558        -2.779110511         2.116997503    
O         -1.636174944        -2.432611245         2.039420027    
H          1.718933121        -2.585559473         2.899587692    
H          3.118032616        -1.835759025       -0.5962167579    
H          2.355886220       -0.5146750068       -0.2056320052    
H         0.7039261419         1.145168871       -0.8930309428    
H         -1.670502981        0.7822137430       -0.2644196766    
H         -1.633500061         2.070462631        -1.181907335    
H         -2.372688151        -1.126958367         1.065375035    
H         -3.254105444        -1.032342392       -0.2067976774    
H          1.728735354        -2.309231523         1.363643421    
H        -0.5984372588        -2.551897130         2.064546431    
H         -1.927000879        -2.824800956         2.879203540    
H          2.080409706         1.825938444       -0.6226920637    
    18
Energy=    -6256.56168779937    
O         -1.032883177         1.503433297       -0.6711821934    
O          2.720511784        -1.414463823        0.1825665971    
O          1.733279499        0.9804562193       -0.9457570619    
O         -2.794679104       -0.4384234343        0.4063413920    
O          1.179555024        -2.778968912         2.117088827    
O         -1.636412484        -2.432731800         2.039309557    
H          1.718780962        -2.585523093         2.899925165    
H          3.118697046        -1.836094081       -0.5953292772    
H          2.356060724       -0.5144490855       -0.2065626216    
H         0.7041253660         1.144736659       -0.8941349553    
H         -1.670596964        0.7815985182       -0.2647417940    
H         -1.634125940         2.072103045        -1.179169207    
H         -2.372982435        -1.126931482         1.065456740    
H         -3.254314727        -1.032322382       -0.2070518011    
H          1.729139003        -2.308890616         1.363931149    
H        -0.5987531013        -2.551738829         2.064393205    
H         -1.927122558        -2.824892040         2.879100311    
H          2.080753065         1.825598397       -0.6228596329    
    18
Energy=    -6256.56148210434    
O         -1.032843540         1.503218589       -0.6713296644    
O          2.720462601        -1.414286801        0.1825968118    
O          1.733283446        0.9803358674       -0.9457338074    
O         -2.794683583       -0.4384601366        0.4062417466    
O          1.179590976        -2.778961319         2.117100224    
O         -1.636457975        -2.432787992         2.039297503    
H          1.718739644        -2.585514121         2.900022640    
H          3.118882964        -1.836185460       -0.5951237422    
H          2.356092126       -0.5143608694       -0.2068525023    
H         0.7041359846         1.144596646       -0.8944762770    
H         -1.670654959        0.7814182461       -0.2648098443    
H         -1.634230040         2.072502028        -1.178511799    
H         -2.373038534        -1.126919680         1.065527245    
H         -3.254366956        -1.032287933       -0.2071141434    
H          1.729253602        -2.308761943         1.363988599    
H        -0.5988537571        -2.551670749         2.064362898    
H         -1.927154201        -2.824905590         2.879050724    
H          2.080874185         1.825527775       -0.6229122136    
    18
Energy=    -6256.56115918545    
O         -1.032741827         1.503388298       -0.6710725792    
O          2.720299476        -1.414207622        0.1825335582    
O          1.733130272        0.9802877034       -0.9453852023    
O         -2.794617175       -0.4384803476        0.4061457409    
O          1.179547902        -2.779027590         2.117054182    
O         -1.636396892        -2.432836372         2.039391765    
H          1.718741633        -2.585509408         2.899993830    
H          3.118887893        -1.836197652       -0.5952734002    
H          2.356016528       -0.5143266384       -0.2069734791    
H         0.7040149441         1.144574817       -0.8944064561    
H         -1.670721289        0.7814643476       -0.2646184849    
H         -1.634031759         2.072122541        -1.179104376    
H         -2.372963950        -1.126908681         1.065652037    
H         -3.254258361        -1.032202107       -0.2070969895    
H          1.729277743        -2.308682352         1.363895851    
H        -0.5989239707        -2.551613190         2.064384343    
H         -1.927148010        -2.824888223         2.879010216    
H          2.080918826         1.825539029       -0.6228061573    
    18
Energy=    -6256.56106700992    
O         -1.032800506         1.502479365       -0.6716982412    
O          2.720837354        -1.413813630        0.1826299212    
O          1.733354579        0.9803554680       -0.9468052903    
O         -2.794874239       -0.4382643437        0.4061713167    
O          1.179800267        -2.778715489         2.117236381    
O         -1.636858204        -2.432828558         2.039289874    
H          1.718676077        -2.585445739         2.900303621    
H          3.119453294        -1.836700054       -0.5943126906    
H          2.356283834       -0.5143821637       -0.2076536796    
H         0.7043252656         1.145165091       -0.8951461265    
H         -1.670594163        0.7809995113       -0.2646771580    
H         -1.634838576         2.073345493        -1.176805669    
H         -2.373478811        -1.126694500         1.065333736    
H         -3.254350107        -1.032420185       -0.2073510439    
H          1.729605064        -2.308808108         1.364201644    
H        -0.5992107198        -2.551656511         2.064093098    
H         -1.927227170        -2.825100629         2.879142972    
H          2.080928742         1.824981540       -0.6226282669    
    18
Energy=    -6256.56061979459    
O         -1.032770704         1.502050000       -0.6720576496    
O          2.721134859        -1.413475615        0.1827114263    
O          1.733398921        0.9803781760       -0.9478130690    
O         -2.795152856       -0.4380828090        0.4060254789    
O          1.179858628        -2.778524905         2.117317602    
O         -1.637035212        -2.432847495         2.039376906    
H          1.718693547        -2.585388664         2.900541345    
H          3.119820791        -1.837092582       -0.5938583055    
H          2.356356691       -0.5144410856       -0.2081330400    
H         0.7046217250         1.145733621       -0.8952219030    
H         -1.670532840        0.7807504913       -0.2644345526    
H         -1.635251969         2.073792668        -1.175839151    
H         -2.373761442        -1.126603134         1.065066828    
H         -3.254198600        -1.032478034       -0.2073442248    
H          1.729880458        -2.308941189         1.364284566    
H        -0.5995408556        -2.551683708         2.063848493    
H         -1.927281540        -2.825239643         2.879231788    
H          2.080792383         1.824590465       -0.6223781407    
    18
Energy=    -6256.56017725867    
O         -1.032865438         1.501108038       -0.6734153756    
O          2.721696975        -1.413266502        0.1832193393    
O          1.733824220        0.9804588302       -0.9493042272    
O         -2.795666585       -0.4380821868        0.4059199055    
O          1.179878016        -2.778355556         2.117636881    
O         -1.637127895        -2.432908771         2.039215381    
H          1.718702932        -2.585353551         2.900904630    
H          3.120244419        -1.837382905       -0.5931112347    
H          2.356796941       -0.5145680524       -0.2080737048    
H         0.7051923762         1.145861310       -0.8961437434    
H         -1.670500357        0.7800470047       -0.2652384239    
H         -1.636241772         2.075973643        -1.172279690    
H         -2.374137601        -1.126653297         1.064721457    
H         -3.254577217        -1.032608434       -0.2073142208    
H          1.730064836        -2.309041525         1.364649545    
H        -0.5996979901        -2.551789291         2.063643230    
H         -1.927309589        -2.825271938         2.879165498    
H          2.080755712         1.824329738       -0.6228708482    
    18
Energy=    -6256.55991177941    
O         -1.032954769         1.500390658       -0.6745543243    
O          2.722016365        -1.413155993        0.1836419506    
O          1.734140677        0.9804093744       -0.9501140509    
O         -2.795974227       -0.4381667575        0.4058111801    
O          1.179870454        -2.778292102         2.117859103    
O         -1.637122949        -2.432974286         2.039047505    
H          1.718701995        -2.585350279         2.901174362    
H          3.120493672        -1.837477976       -0.5926158921    
H          2.357119378       -0.5146108570       -0.2078942129    
H         0.7055567589         1.145681433       -0.8969230092    
H         -1.670530099        0.7794731516       -0.2660771881    
H         -1.636871884         2.077813076        -1.169369194    
H         -2.374314876        -1.126751216         1.064535201    
H         -3.254986297        -1.032664543       -0.2072613195    
H          1.730151023        -2.309034519         1.364939083    
H        -0.5997315277        -2.551844859         2.063556034    
H         -1.927324910        -2.825236309         2.879049724    
H          2.080793197         1.824288560       -0.6234805520    
    18
Energy=    -6256.55896941841    
O         -1.033021999         1.499893098       -0.6756296179    
O          2.721982062        -1.413070323        0.1838945695    
O          1.734278786        0.9802294680       -0.9500149234    
O         -2.795814460       -0.4381836101        0.4057456040    
O          1.179915194        -2.778271969         2.118104959    
O         -1.637051219        -2.432949429         2.038902844    
H          1.718580996        -2.585447392         2.901260191    
H          3.120537465        -1.837355458       -0.5924116921    
H          2.356977056       -0.5143834396       -0.2078606369    
H         0.7057510645         1.145227884       -0.8967895241    
H         -1.670683028        0.7791340214       -0.2667270945    
H         -1.636724753         2.078985884        -1.167438511    
H         -2.374185059        -1.126920827         1.064252363    
H         -3.255326021        -1.032691597       -0.2071096721    
H          1.730310327        -2.308887383         1.364980143    
H        -0.5996683986        -2.551828794         2.063508869    
H         -1.927416993        -2.825196991         2.879018908    
H          2.080590963         1.824213414       -0.6243623806    
    18
Energy=    -6256.55767067553    
O         -1.032842709         1.501437931       -0.6727877194    
O          2.722469819        -1.413447075        0.1833986205    
O          1.734317645        0.9816310348       -0.9513360597    
O         -2.796707517       -0.4380455064        0.4062626312    
O          1.179763687        -2.778223817         2.117881306    
O         -1.637354895        -2.432906541         2.039274097    
H          1.718841103        -2.585152490         2.900872593    
H          3.120602957        -1.837952702       -0.5928057087    
H          2.357505742       -0.5150617353       -0.2081770496    
H         0.7057701615         1.146661604       -0.8971169334    
H         -1.670142932        0.7802563347       -0.2645810650    
H         -1.637914698         2.075660479        -1.172641698    
H         -2.374919640        -1.126435582         1.064844188    
H         -3.254228358        -1.032836241       -0.2077092784    
H          1.730084565        -2.309430216         1.364762493    
H        -0.5999919036        -2.551984792         2.063483130    
H         -1.927183851        -2.825432913         2.879264769    
H          2.080962808         1.823758782       -0.6215639177    
    18
Energy=    -6256.55674512459    
O         -1.033528094         1.495702128       -0.6814192279    
O          2.724611313        -1.412699143        0.1867406428    
O          1.736448469        0.9806904270       -0.9558728746    
O         -2.798436129       -0.4390232928        0.4053923137    
O          1.179715964        -2.778136424         2.119589885    
O         -1.637227950        -2.433646601         2.037756615    
H          1.718800638        -2.585192800         2.902891704    
H          3.122311059        -1.838284410       -0.5892397088    
H          2.360312312       -0.5153769162       -0.2060352667    
H         0.7078433930         1.144611785       -0.9047106443    
H         -1.670578966        0.7752108209       -0.2722155434    
H         -1.642293140         2.090861615        -1.149255563    
H         -2.376011239        -1.127095953         1.063970501    
H         -3.258163889        -1.033175681       -0.2074679901    
H          1.730285089        -2.308988973         1.367167567    
H        -0.5997379032        -2.552288806         2.063199057    
H         -1.927157418        -2.824864631         2.877968663    
H          2.081838476         1.824193409       -0.6271357299    
    18
Energy=    -6256.55422057216    
O         -1.033697724         1.493568183       -0.6842802714    
O          2.725596041        -1.412492340        0.1880941272    
O          1.737186018        0.9805310659       -0.9576669170    
O         -2.799144838       -0.4393280830        0.4051297087    
O          1.179652376        -2.778208928         2.120393932    
O         -1.637233188        -2.433983098         2.037135411    
H          1.718804600        -2.585164797         2.903616892    
H          3.123062039        -1.838553400       -0.5879106140    
H          2.361600404       -0.5155481290       -0.2052011249    
H         0.7086309212         1.144112585       -0.9082934802    
H         -1.670701776        0.7730749228       -0.2750274571    
H         -1.644264307         2.096707689        -1.140581027    
H         -2.376608453        -1.127215853         1.063809258    
H         -3.259722015        -1.033395031       -0.2075640293    
H          1.730293766        -2.308803472         1.368060451    
H        -0.5996341532        -2.552408126         2.063121974    
H         -1.927097067        -2.824672736         2.877481329    
H          2.082309340         1.824276103       -0.6289937643    
    18
Energy=    -6256.55087343147    
O         -1.034237217         1.488720914       -0.6910872587    
O          2.726647087        -1.411724929        0.1903601830    
O          1.738258696        0.9786551759       -0.9589681072    
O         -2.799243630       -0.4399032111        0.4040591049    
O          1.179876277        -2.778249866         2.121622166    
O         -1.636903143        -2.434587032         2.035910552    
H          1.718555779        -2.585410327         2.905167740    
H          3.124139771        -1.838435794       -0.5853702844    
H          2.362973239       -0.5151060857       -0.2037380915    
H         0.7098862092         1.142390718       -0.9134396468    
H         -1.671332517        0.7684715090       -0.2810282040    
H         -1.646009191         2.108848046        -1.122867380    
H         -2.376931162        -1.127739897         1.062864362    
H         -3.262998153        -1.033519079       -0.2069677727    
H          1.730402800        -2.308091503         1.369690951    
H        -0.5992539511        -2.552379246         2.062982016    
H         -1.927266895        -2.824187135         2.876542029    
H          2.082467985         1.824744298       -0.6344079621    
    18
Energy=    -6256.55002202783    
O         -1.034310789         1.488039898       -0.6919420871    
O          2.726821638        -1.411641745        0.1906753155    
O          1.738424901        0.9784417164       -0.9591433534    
O         -2.799308746       -0.4400358111        0.4038434915    
O          1.179962302        -2.778228603         2.121827562    
O         -1.636775222        -2.434643719         2.035641541    
H          1.718484570        -2.585453526         2.905327883    
H          3.124298002        -1.838434783       -0.5850113219    
H          2.363191511       -0.5150519709       -0.2035373643    
H         0.7100252742         1.142201398       -0.9142602905    
H         -1.671396326        0.7677914524       -0.2818286843    
H         -1.646293821         2.110549817        -1.120482485    
H         -2.376994583        -1.127780508         1.062774620    
H         -3.263418428        -1.033484862       -0.2068567039    
H          1.730377765        -2.308010383         1.369937351    
H        -0.5992515484        -2.552373827         2.062973589    
H         -1.927311121        -2.824165881         2.876502484    
H          2.082506605         1.824777895       -0.6351171490    
    18
Energy=    -6256.54867059742    
O         -1.034617597         1.485824504       -0.6955789007    
O          2.727168203        -1.411298698        0.1917126782    
O          1.739068418        0.9774714394       -0.9596806652    
O         -2.799308859       -0.4403099595        0.4033716309    
O          1.180052086        -2.778196305         2.122328055    
O         -1.636587544        -2.434867680         2.035108278    
H          1.718352126        -2.585606986         2.906082668    
H          3.124704857        -1.838235058       -0.5838208789    
H          2.363615466       -0.5147125612       -0.2028954637    
H         0.7107262678         1.141031927       -0.9160149247    
H         -1.671791526        0.7659472133       -0.2847463525    
H         -1.646902395         2.116098733        -1.111943933    
H         -2.377016879        -1.128220427         1.062183274    
H         -3.264920060        -1.033533132       -0.2064542978    
H          1.730532333        -2.307655482         1.370665872    
H        -0.5990302386        -2.552359370         2.062881516    
H         -1.927441491        -2.823903501         2.876047274    
H          2.082428817         1.825021899       -0.6379214311    
    18
Energy=    -6256.54751849795    
O         -1.034939393         1.483827340       -0.6991318044    
O          2.727525890        -1.411137855        0.1926726970    
O          1.739649929        0.9766748033       -0.9601743429    
O         -2.799376902       -0.4406321684        0.4028335261    
O          1.180184760        -2.778096120         2.122772401    
O         -1.636252833        -2.434987933         2.034470749    
H          1.718190676        -2.585774569         2.906730266    
H          3.125008273        -1.837970068       -0.5826821433    
H          2.363889046       -0.5143076011       -0.2023424165    
H         0.7113231048         1.139854966       -0.9173382844    
H         -1.672181402        0.7643746223       -0.2875005848    
H         -1.647295284         2.121063028        -1.103954863    
H         -2.376937969        -1.128679429         1.061619958    
H         -3.266222482        -1.033471280       -0.2059704755    
H          1.730687010        -2.307360739         1.371364081    
H        -0.5989156465        -2.552362908         2.062792911    
H         -1.927619069        -2.823725334         2.875786575    
H          2.082314276         1.825207802       -0.6406238513    
    18
Energy=    -6256.54459894411    
O         -1.035186461         1.482677258       -0.7004569940    
O          2.727881969        -1.410678585        0.1931065348    
O          1.738197217        0.9764913231       -0.9602234841    
O         -2.798814781       -0.4405304881        0.4023814048    
O          1.180360601        -2.778043913         2.123164991    
O         -1.636361865        -2.435046518         2.034238041    
H          1.718099453        -2.585868265         2.906793265    
H          3.125143346        -1.838062387       -0.5824702463    
H          2.363855945       -0.5147767313       -0.2018860814    
H         0.7099584830         1.140749825       -0.9173266300    
H         -1.672060006        0.7626102489       -0.2889454477    
H         -1.645549067         2.122654414        -1.100730063    
H         -2.376152503        -1.128093348         1.061228842    
H         -3.266848543        -1.033196914       -0.2058708749    
H          1.730790319        -2.307388121         1.371696357    
H        -0.5991107097        -2.552517131         2.062702430    
H         -1.927562162        -2.823790997         2.875872661    
H          2.082390746         1.825306887       -0.6419503062    
    18
Energy=    -6256.54314132686    
O         -1.034470993         1.486330954       -0.6938789388    
O          2.726919432        -1.411033853        0.1913818845    
O          1.739257679        0.9774120790       -0.9594802286    
O         -2.799309171       -0.4401981426        0.4036040859    
O          1.180081239        -2.778280744         2.122312820    
O         -1.636787717        -2.434918454         2.035339068    
H          1.718346733        -2.585550286         2.905844965    
H          3.124789126        -1.838489081       -0.5842390267    
H          2.363810404       -0.5149246618       -0.2030332901    
H         0.7109121642         1.141480125       -0.9164379757    
H         -1.671584065        0.7661567057       -0.2835901266    
H         -1.647495612         2.115130362        -1.114889093    
H         -2.377402303        -1.128044602         1.062453593    
H         -3.264588753        -1.033697071       -0.2066991012    
H          1.730357211        -2.307684083         1.370413257    
H        -0.5989169472        -2.552277822         2.062944142    
H         -1.927376451        -2.823929342         2.876027667    
H          2.082490005         1.825014473       -0.6367493037    
    18
Energy=    -6256.54137635611    
O         -1.036110716         1.477962259       -0.7107177830    
O          2.727929159        -1.410025054        0.1956796733    
O          1.742734040        0.9737952210       -0.9621410407    
O         -2.799794479       -0.4417027027        0.4019207645    
O          1.180336954        -2.777857959         2.124109633    
O         -1.635761707        -2.435426922         2.033049729    
H          1.717748346        -2.586282665         2.908895907    
H          3.126023356        -1.837076568       -0.5793195522    
H          2.364937272       -0.5131929220       -0.2005416923    
H         0.7142881171         1.134786632       -0.9210874251    
H         -1.673500812        0.7607613158       -0.2959671985    
H         -1.649661806         2.136493413        -1.078878239    
H         -2.377080704        -1.130712055         1.059726467    
H         -3.270388080        -1.033737216       -0.2046768826    
H          1.731423002        -2.306286350         1.373337761    
H        -0.5979770784        -2.552337710         2.062505830    
H         -1.928090135        -2.822806067         2.874283283    
H          2.081977255         1.826141908       -0.6488548367    
    18
Energy=    -6256.54026562875    
O         -1.036299559         1.477022740       -0.7125959152    
O          2.728005347        -1.409842642        0.1961567515    
O          1.743107651        0.9733878189       -0.9624471921    
O         -2.799827411       -0.4418560145        0.4017473779    
O          1.180371271        -2.777804001         2.124321649    
O         -1.635703119        -2.435485957         2.032838253    
H          1.717676234        -2.586368456         2.909216600    
H          3.126162906        -1.836929077       -0.5788096308    
H          2.365055881       -0.5130586569       -0.2002464742    
H         0.7145875351         1.134060587       -0.9215118357    
H         -1.673701183        0.7601882568       -0.2973544233    
H         -1.649836220         2.138808308        -1.074903549    
H         -2.377005721        -1.130998808         1.059406966    
H         -3.271030772        -1.033742491       -0.2044601127    
H          1.731557233        -2.306138581         1.373654760    
H        -0.5978521915        -2.552354567         2.062451608    
H         -1.928155254        -2.822669636         2.874062287    
H          2.081919356         1.826277734       -0.6502027203    
    18
Energy=    -6256.53897528905    
O         -1.036486909         1.475944915       -0.7147997102    
O          2.728142685        -1.409699501        0.1967064724    
O          1.743425453        0.9729601884       -0.9627930268    
O         -2.799827762       -0.4420187980        0.4015611301    
O          1.180359351        -2.777763538         2.124526967    
O         -1.635598484        -2.435547043         2.032576920    
H          1.717630524        -2.586453986         2.909632594    
H          3.126305319        -1.836742311       -0.5781977102    
H          2.365158284       -0.5128739109       -0.1999186065    
H         0.7149091135         1.133257803       -0.9219564651    
H         -1.673948528        0.7594769853       -0.2989718187    
H         -1.649953694         2.141458124        -1.070285532    
H         -2.376889087        -1.131301823         1.059016603    
H         -3.271786930        -1.033751757       -0.2042210285    
H          1.731730149        -2.305963040         1.374018808    
H        -0.5977507804        -2.552377684         2.062385865    
H         -1.928234333        -2.822524737         2.873833214    
H          2.081847612         1.826416671       -0.6517902770    
    18
Energy=    -6256.53769139283    
O         -1.036700727         1.474846315       -0.7169832722    
O          2.728261959        -1.409512182        0.1972606222    
O          1.743741589        0.9725309135       -0.9631453581    
O         -2.799847095       -0.4421736910        0.4013239778    
O          1.180415231        -2.777686837         2.124779149    
O         -1.635545808        -2.435613708         2.032348315    
H          1.717541292        -2.586557917         2.909980036    
H          3.126450952        -1.836567863       -0.5776158686    
H          2.365256675       -0.5127343055       -0.1995776058    
H         0.7151357745         1.132497169       -0.9223445214    
H         -1.674167861        0.7587819879       -0.3005971850    
H         -1.650006965         2.144054077        -1.065706357    
H         -2.376726754        -1.131602960         1.058639364    
H         -3.272517672        -1.033729173       -0.2039609735    
H          1.731891108        -2.305810038         1.374391973    
H        -0.5976278924        -2.552411816         2.062315912    
H         -1.928300209        -2.822374637         2.873588284    
H          2.081778384         1.826561222       -0.6533720935    
    18
Energy=    -6256.53625806442    
O         -1.036935339         1.473537852       -0.7196133348    
O          2.728429175        -1.409289091        0.1979197429    
O          1.743986190        0.9720695046       -0.9635718873    
O         -2.799813396       -0.4423572008        0.4010755557    
O          1.180421577        -2.777618984         2.125042340    
O         -1.635459681        -2.435675290         2.032050187    
H          1.717477412        -2.586665927         2.910434931    
H          3.126612916        -1.836358335       -0.5769276833    
H          2.365353937       -0.5126063067       -0.1991593911    
H         0.7153019192         1.131652720       -0.9227304701    
H         -1.674427720        0.7579064654       -0.3025588929    
H         -1.649937496         2.147084411        -1.060236612    
H         -2.376482243        -1.131899055         1.058158654    
H         -3.273406376        -1.033700720       -0.2036779643    
H          1.732110156        -2.305628819         1.374833045    
H        -0.5975302395        -2.552464956         2.062230704    
H         -1.928377571        -2.822215651         2.873333943    
H          2.081708762         1.826725939       -0.6552784678    
    18
Energy=    -6256.53454789147    
O         -1.037217426         1.471983806       -0.7227072431    
O          2.728672786        -1.409071056        0.1987078143    
O          1.744159752        0.9715562924       -0.9640646328    
O         -2.799773741       -0.4425311844        0.4007183571    
O          1.180480260        -2.777518351         2.125390334    
O         -1.635403292        -2.435771078         2.031747524    
H          1.717374862        -2.586805091         2.910923034    
H          3.126794765        -1.836113021       -0.5761165682    
H          2.365441256       -0.5124501681       -0.1986724237    
H         0.7154015563         1.130746420       -0.9231511196    
H         -1.674719097        0.7568132390       -0.3048868437    
H         -1.649732230         2.150609205        -1.053795945    
H         -2.376127556        -1.132231937         1.057611156    
H         -3.274445356        -1.033640148       -0.2033348348    
H          1.732355881        -2.305433359         1.375365402    
H        -0.5974142559        -2.552538442         2.062122889    
H         -1.928447812        -2.822020016         2.873008429    
H          2.081631630         1.826911446       -0.6575409319    
    18
Energy=    -6256.53317008882    
O         -1.037435709         1.470752485       -0.7251860978    
O          2.728845859        -1.408857842        0.1993373243    
O          1.744286816        0.9711979676       -0.9644992467    
O         -2.799738056       -0.4427093123        0.4004771468    
O          1.180483486        -2.777445555         2.125639218    
O         -1.635347456        -2.435815058         2.031471360    
H          1.717318051        -2.586905490         2.911328598    
H          3.126934371        -1.835913279       -0.5754906370    
H          2.365515549       -0.5123922377       -0.1982669871    
H         0.7153976385         1.129993622       -0.9234097288    
H         -1.674931333        0.7559825047       -0.3067439367    
H         -1.649536123         2.153360861        -1.048690921    
H         -2.375808366        -1.132463586         1.057162933    
H         -3.275279121        -1.033587122       -0.2030873900    
H          1.732577646        -2.305279680         1.375786281    
H        -0.5973484098        -2.552609630         2.062042753    
H         -1.928504553        -2.821881527         2.872782181    
H          2.081601693         1.827069438       -0.6593284514    
    18
Energy=    -6256.53130761115    
O         -1.037616252         1.469369803       -0.7279619468    
O          2.729062064        -1.408689835        0.2000551339    
O          1.744420915        0.9708624204       -0.9650503648    
O         -2.799750232       -0.4429177805        0.4002029571    
O          1.180495473        -2.777345403         2.125922051    
O         -1.635328884        -2.435864141         2.031210340    
H          1.717243574        -2.587022011         2.911756098    
H          3.127070934        -1.835655999       -0.5747757630    
H          2.365568574       -0.5123137674       -0.1978370367    
H         0.7153638884         1.129072271       -0.9236162692    
H         -1.675152628        0.7550587717       -0.3087884139    
H         -1.649356282         2.156469185        -1.043044683    
H         -2.375383898        -1.132739895         1.056679184    
H         -3.276218961        -1.033524969       -0.2028260334    
H          1.732838976        -2.305108690         1.376261280    
H        -0.5972699199        -2.552698363         2.061953926    
H         -1.928549543        -2.821712284         2.872487723    
H          2.081594184         1.827257245       -0.6613037854    
    18
Energy=    -6256.52932358992    
O         -1.036890557         1.471571033       -0.7238273317    
O          2.728371717        -1.409054019        0.1989874008    
O          1.745348346        0.9715537549       -0.9648826744    
O         -2.800339411       -0.4430058435        0.4010149982    
O          1.180306215        -2.777399768         2.125365118    
O         -1.635421575        -2.435558779         2.031616966    
H          1.717341559        -2.586844659         2.911082952    
H          3.126788261        -1.835772885       -0.5758392335    
H          2.365474070       -0.5123436758       -0.1986428974    
H         0.7162449849         1.128910713       -0.9227326311    
H         -1.674812352        0.7576123615       -0.3052865808    
H         -1.651148925         2.152014717        -1.052207494    
H         -2.376113398        -1.132839366         1.057446827    
H         -3.274739894        -1.033781344       -0.2032885195    
H          1.732634079        -2.305272109         1.375444253    
H        -0.5971973084        -2.552558995         2.062146263    
H         -1.928532854        -2.821908483         2.872816253    
H          2.081719027         1.827173905       -0.6578892709    
    18
Energy=    -6256.52715945319    
O         -1.038755602         1.465157289       -0.7367419518    
O          2.729682534        -1.407776948        0.2023027893    
O          1.743899156        0.9696474165       -0.9667324720    
O         -2.799525121       -0.4435861261        0.3994567269    
O          1.180674841        -2.776999758         2.127024986    
O         -1.635045278        -2.435947355         2.030094122    
H          1.716902690        -2.587428187         2.912913863    
H          3.127549859        -1.834993876       -0.5726712809    
H          2.365890787       -0.5124424336       -0.1962837330    
H         0.7152155873         1.126555984       -0.9243675158    
H         -1.675618220        0.7517285160       -0.3153546165    
H         -1.648029978         2.165982033        -1.025108556    
H         -2.374003330        -1.133248895         1.055108478    
H         -3.279228389        -1.033278534       -0.2021306387    
H          1.733609208        -2.304647807         1.377776839    
H        -0.5972409751        -2.553009133         2.061675967    
H         -1.928724999        -2.821310749         2.871848004    
H          2.081779211         1.828095118       -0.6674866114    
    18
Energy=    -6256.52591240830    
O         -1.039088606         1.464188858       -0.7386957877    
O          2.729840121        -1.407552985        0.2028124372    
O          1.743629384        0.9693497105       -0.9670706050    
O         -2.799422940       -0.4436723992        0.3992689850    
O          1.180755033        -2.776909801         2.127300574    
O         -1.634933000        -2.435987649         2.029844681    
H          1.716805211        -2.587528233         2.913146733    
H          3.127665780        -1.834868939       -0.5722079175    
H          2.365968780       -0.5124864612       -0.1959197605    
H         0.7151733559         1.126095768       -0.9245765314    
H         -1.675688065        0.7508842783       -0.3168619130    
H         -1.647608346         2.168116215        -1.021045744    
H         -2.373678201        -1.133331971         1.054761070    
H         -3.279922360        -1.033228645       -0.2019897243    
H          1.733757601        -2.304560483         1.378131897    
H        -0.5972836156        -2.553075847         2.061606062    
H         -1.928762902        -2.821225635         2.871714675    
H          2.081824755         1.828290777       -0.6688947307    
    18
Energy=    -6256.52464230249    
O         -1.039134478         1.463275873       -0.7394601284    
O          2.729960488        -1.407359893        0.2031389136    
O          1.743351058        0.9691569597       -0.9672593950    
O         -2.799245589       -0.4434670549        0.3990612359    
O          1.180793356        -2.776835483         2.127413298    
O         -1.634752542        -2.436025288         2.029727301    
H          1.716761432        -2.587583249         2.913289505    
H          3.127772697        -1.834837834       -0.5720002100    
H          2.365917054       -0.5125677637       -0.1957372044    
H         0.7148238880         1.126105935       -0.9245926601    
H         -1.675550625        0.7499092034       -0.3176376014    
H         -1.647283832         2.169796158        -1.019110011    
H         -2.373271092        -1.133303117         1.054554166    
H         -3.280438436        -1.033267422       -0.2019811176    
H          1.733830817        -2.304515230         1.378354509    
H        -0.5974809065        -2.553099214         2.061551412    
H         -1.928790689        -2.821229925         2.871697712    
H          2.081769383         1.828343902       -0.6696853271    
    18
Energy=    -6256.52075744772    
O         -1.038429332         1.463757378       -0.7378408412    
O          2.729824197        -1.407440878        0.2025705419    
O          1.743121019        0.9693099886       -0.9672256542    
O         -2.799344599       -0.4441696660        0.3992990694    
O          1.180776181        -2.776874570         2.127341953    
O         -1.635253451        -2.435842523         2.029872142    
H          1.716760604        -2.587539069         2.912999190    
H          3.127632443        -1.834823794       -0.5722248229    
H          2.365822809       -0.5126833315       -0.1959812812    
H         0.7150896189         1.126264593       -0.9242106956    
H         -1.675452525        0.7501741039       -0.3163113308    
H         -1.647865713         2.168788971        -1.022529760    
H         -2.373487275        -1.132825321         1.054484329    
H         -3.279809286        -1.033025755       -0.2018909014    
H          1.733800930        -2.304526119         1.378035197    
H        -0.5972011699        -2.553089250         2.061620059    
H         -1.928747830        -2.821322838         2.871801342    
H          2.081795362         1.828364637       -0.6684841363    
    18
Energy=    -6256.51921016513    
O         -1.038183196         1.463988817       -0.7370437888    
O          2.729778250        -1.407530096        0.2023741408    
O          1.743129276        0.9694306072       -0.9671745240    
O         -2.799386375       -0.4441745441        0.3993694041    
O          1.180763467        -2.776879979         2.127252802    
O         -1.635329505        -2.435814547         2.029994404    
H          1.716776089        -2.587511962         2.912885364    
H          3.127582830        -1.834840978       -0.5723727932    
H          2.365752138       -0.5126875317       -0.1961273582    
H         0.7151004727         1.126397445       -0.9240404683    
H         -1.675366433        0.7502856456       -0.3156901666    
H         -1.648086677         2.168280114        -1.024167094    
H         -2.373518649        -1.132742745         1.054568997    
H         -3.279590019        -1.033037817       -0.2019503192    
H          1.733758754        -2.304551429         1.377910845    
H        -0.5971982300        -2.553067057         2.061642570    
H         -1.928726356        -2.821357897         2.871833169    
H          2.081776147         1.828310510       -0.6679407867    
    18
Energy=    -6256.51731553681    
O         -1.041712819         1.454260159       -0.7569613811    
O          2.732633230        -1.405786547        0.2076033596    
O          1.740466154        0.9661934675       -0.9682301977    
O         -2.797086259       -0.4437438767        0.3958131122    
O          1.181268890        -2.776750599         2.129674282    
O         -1.634783173        -2.437049658         2.027797648    
H          1.716480446        -2.588273706         2.916307732    
H          3.128954711        -1.834224552       -0.5675156949    
H          2.366326406       -0.5123598718       -0.1924257474    
H         0.7113845104         1.126024324       -0.9280893345    
H         -1.677266084        0.7399513743       -0.3322284768    
H         -1.640607628         2.188444621       -0.9806912497    
H         -2.370453584        -1.133050268         1.051179138    
H         -3.286481383        -1.032091264       -0.1998222394    
H          1.734918640        -2.303657144         1.381608317    
H        -0.5972871371        -2.553712406         2.060811273    
H         -1.928936543        -2.820436813         2.870405518    
H          2.081213605         1.828759315       -0.6839116591    
    18
Energy=    -6256.51643773885    
O         -1.042127144         1.453346913       -0.7590618246    
O          2.732917759        -1.405615834        0.2081148986    
O          1.740203314        0.9658674345       -0.9683287118    
O         -2.796872256       -0.4437755426        0.3954782735    
O          1.181325127        -2.776743253         2.129928637    
O         -1.634753964        -2.437177231         2.027574302    
H          1.716448471        -2.588351151         2.916654372    
H          3.129082851        -1.834154149       -0.5670039850    
H          2.366413002       -0.5123232342       -0.1920361531    
H         0.7110906527         1.125936196       -0.9285353732    
H         -1.677488600        0.7389956234       -0.3339315340    
H         -1.639854672         2.190398516       -0.9761819671    
H         -2.370200315        -1.133079973         1.050828708    
H         -3.287149508        -1.031970108       -0.1995854850    
H          1.735034586        -2.303567911         1.381982288    
H        -0.5972600897        -2.553780361         2.060728936    
H         -1.928953860        -2.820327664         2.870240451    
H          2.081176629         1.828818286       -0.6855414347    
    18
Energy=    -6256.51527526871    
O         -1.042587897         1.452243261       -0.7615001498    
O          2.733265018        -1.405422014        0.2087265747    
O          1.739929903        0.9654782318       -0.9684115610    
O         -2.796609214       -0.4437847681        0.3950530370    
O          1.181375306        -2.776752743         2.130218876    
O         -1.634729278        -2.437330883         2.027302873    
H          1.716426490        -2.588435811         2.917081733    
H          3.129240971        -1.834085640       -0.5664151561    
H          2.366506349       -0.5122642306       -0.1915861908    
H         0.7106808531         1.125898505       -0.9290802460    
H         -1.677764597        0.7378496251       -0.3359375765    
H         -1.638959989         2.192702689       -0.9708972893    
H         -2.369902404        -1.133114489         1.050426176    
H         -3.287928350        -1.031823090       -0.1992970177    
H          1.735170584        -2.303458520         1.382414680    
H        -0.5972183441        -2.553859651         2.060632980    
H         -1.928976462        -2.820206677         2.870061993    
H          2.081113044         1.828862762       -0.6874693373    
    18
Energy=    -6256.51433808522    
O         -1.043222885         1.451091543       -0.7644438058    
O          2.733638383        -1.405200152        0.2094240687    
O          1.739626352        0.9650302146       -0.9685315124    
O         -2.796336562       -0.4438233315        0.3946222540    
O          1.181458618        -2.776742867         2.130566695    
O         -1.634664018        -2.437514469         2.026997145    
H          1.716379423        -2.588542066         2.917553675    
H          3.129410791        -1.833989165       -0.5657145388    
H          2.366653197       -0.5121944579       -0.1910487729    
H         0.7103629732         1.125723838       -0.9297305036    
H         -1.678108243        0.7366944138       -0.3382952867    
H         -1.637947137         2.195224367       -0.9646438569    
H         -2.369618735        -1.133207358         1.049973349    
H         -3.288822165        -1.031671237       -0.1989770544    
H          1.735320013        -2.303343279         1.382926356    
H        -0.5971730591        -2.553949454         2.060521616    
H         -1.929002229        -2.820042595         2.869822472    
H          2.081077266         1.828952611       -0.6896979016    
    18
Energy=    -6256.51342045622    
O         -1.043726542         1.450092474       -0.7668825567    
O          2.733960802        -1.405018327        0.2100241082    
O          1.739409492        0.9646520544       -0.9686099371    
O         -2.796105547       -0.4438472125        0.3942268521    
O          1.181499463        -2.776760883         2.130853053    
O         -1.634640223        -2.437661975         2.026721365    
H          1.716360446        -2.588622831         2.917974577    
H          3.129561927        -1.833920914       -0.5651430917    
H          2.366766701       -0.5121215772       -0.1906077070    
H         0.7100341376         1.125628343       -0.9302868532    
H         -1.678407104        0.7357162920       -0.3402770557    
H         -1.637094846         2.197346421       -0.9594167603    
H         -2.369377482        -1.133282295         1.049599121    
H         -3.289560239        -1.031530688       -0.1986915060    
H          1.735456014        -2.303234979         1.383339932    
H        -0.5971074935        -2.554027340         2.060431528    
H         -1.929027288        -2.819916258         2.869644272    
H          2.081029767         1.829006251       -0.6915749430    
    18
Energy=    -6256.51277520827    
O         -1.044245095         1.449219055       -0.7692201628    
O          2.734246022        -1.404845773        0.2105758348    
O          1.739216444        0.9642979716       -0.9686922089    
O         -2.795901251       -0.4438850189        0.3938894966    
O          1.181554390        -2.776763438         2.131123645    
O         -1.634591839        -2.437804034         2.026469255    
H          1.716330420        -2.588703146         2.918355603    
H          3.129696343        -1.833848747       -0.5645978156    
H          2.366893306       -0.5120549278       -0.1901854440    
H         0.7098035571         1.125477323       -0.9308182733    
H         -1.678701494        0.7348929219       -0.3421500523    
H         -1.636309922         2.199253330       -0.9544618690    
H         -2.369186509        -1.133377559         1.049253214    
H         -3.290245447        -1.031408595       -0.1984301755    
H          1.735575679        -2.303142101         1.383735404    
H        -0.5970533161        -2.554098130         2.060346472    
H         -1.929051035        -2.819785581         2.869460328    
H          2.081001731         1.829073007       -0.6933288528    
    18
Energy=    -6256.51231144242    
O         -1.044645875         1.448535919       -0.7710683267    
O          2.734471053        -1.404716194        0.2110155214    
O          1.739084110        0.9640219935       -0.9687497829    
O         -2.795743975       -0.4439110410        0.3936167760    
O          1.181588080        -2.776773392         2.131334469    
O         -1.634561837        -2.437915604         2.026267812    
H          1.716313076        -2.588763822         2.918664268    
H          3.129803285        -1.833793576       -0.5641710443    
H          2.366994049       -0.5119923993       -0.1898562795    
H         0.7096180459         1.125358952       -0.9312449732    
H         -1.678949516        0.7342865107       -0.3436375265    
H         -1.635696422         2.200720499       -0.9505408831    
H         -2.369045125        -1.133465985         1.048987546    
H         -3.290778582        -1.031311658       -0.1982185657    
H          1.735673624        -2.303065685         1.384042172    
H        -0.5969985962        -2.554154698         2.060280742    
H         -1.929070319        -2.819682034         2.869316386    
H          2.080976908         1.829118770       -0.6947139117    
    18
Energy=    -6256.51191013283    
O         -1.045214706         1.447698404       -0.7735331723    
O          2.734748302        -1.404543156        0.2115908620    
O          1.738928145        0.9636624267       -0.9688411898    
O         -2.795556140       -0.4439637607        0.3932850974    
O          1.181635635        -2.776780997         2.131615502    
O         -1.634511321        -2.438056122         2.025996857    
H          1.716283828        -2.588845508         2.919060432    
H          3.129939605        -1.833715273       -0.5636111717    
H          2.367141860       -0.5119124647       -0.1894200571    
H         0.7094334231         1.125142633       -0.9318044892    
H         -1.679281563        0.7335806331       -0.3455971777    
H         -1.634905224         2.202565904       -0.9453625307    
H         -2.368884693        -1.133604707         1.048645532    
H         -3.291469561        -1.031189903       -0.1979454098    
H          1.735803560        -2.302967702         1.384443703    
H        -0.5969229922        -2.554229364         2.060196487    
H         -1.929097927        -2.819541322         2.869124120    
H          2.080961751         1.829196835       -0.6965189960    
    18
Energy=    -6256.51128853567    
O         -1.046442081         1.446066109       -0.7786523458    
O          2.735292662        -1.404184244        0.2127714134    
O          1.738633455        0.9629285153       -0.9690491993    
O         -2.795195497       -0.4440979439        0.3926380893    
O          1.181735585        -2.776790824         2.132198543    
O         -1.634394415        -2.438335958         2.025429940    
H          1.716216163        -2.589015614         2.919863756    
H          3.130214414        -1.833546624       -0.5624619429    
H          2.367467359       -0.5117495422       -0.1885188193    
H         0.7091327735         1.124614787       -0.9329548811    
H         -1.679977627        0.7322690727       -0.3496382903    
H         -1.633293997         2.206227253       -0.9346738159    
H         -2.368591881        -1.133923607         1.047953070    
H         -3.292875385        -1.030946800       -0.1973886736    
H          1.736073621        -2.302768740         1.385265912    
H        -0.5967595548        -2.554383742         2.060026589    
H         -1.929157979        -2.819245829         2.868725229    
H          2.080954366         1.829380289       -0.7002101754    
    18
Energy=    -6256.51116390773    
O         -1.046825138         1.445620044       -0.7801627714    
O          2.735444879        -1.404079845        0.2131160952    
O          1.738558420        0.9627172750       -0.9691174586    
O         -2.795099434       -0.4441439838        0.3924596377    
O          1.181765148        -2.776791890         2.132369493    
O         -1.634356543        -2.438415334         2.025262414    
H          1.716194526        -2.589065790         2.920095459    
H          3.130292816        -1.833494622       -0.5621267130    
H          2.367567823       -0.5117021524       -0.1882546997    
H         0.7090670856         1.124434600       -0.9332890352    
H         -1.680180564        0.7319188250       -0.3508192658    
H         -1.632825374         2.207261501       -0.9315424264    
H         -2.368515083        -1.134026160         1.047754272    
H         -3.293282534        -1.030878177       -0.1972286274    
H          1.736153361        -2.302711348         1.385505343    
H        -0.5967101605        -2.554428993         2.059977866    
H         -1.929176207        -2.819157507         2.868606989    
H          2.080958962         1.829440114       -0.7012821716    
    18
Energy=    -6256.51073430422    
O         -1.047665475         1.444092703       -0.7846260046    
O          2.735902462        -1.403735405        0.2141336054    
O          1.738168561        0.9620465828       -0.9692399556    
O         -2.794714172       -0.4442596597        0.3918687016    
O          1.181870451        -2.776792804         2.132902924    
O         -1.634236121        -2.438659514         2.024756304    
H          1.716120180        -2.589221276         2.920781436    
H          3.130540112        -1.833360123       -0.5611205283    
H          2.367878144       -0.5115598830       -0.1874602613    
H         0.7088014041         1.124037207       -0.9343557533    
H         -1.680939981        0.7311166273       -0.3544810806    
H         -1.631433122         2.210204878       -0.9220775171    
H         -2.368319594        -1.134337766         1.047148726    
H         -3.294487791        -1.030664306       -0.1967052977    
H          1.736384347        -2.302543207         1.386224880    
H        -0.5965632018        -2.554566668         2.059830101    
H         -1.929232743        -2.818900120         2.868265097    
H          2.080958523         1.829599292       -0.7045209784    
    18
Energy=    -6256.51060549003    
O         -1.049204165         1.442655044       -0.7902553602    
O          2.736407260        -1.403339430        0.2153866112    
O          1.737936619        0.9612814908       -0.9695394232    
O         -2.794412652       -0.4444893761        0.3912934802    
O          1.181987289        -2.776780850         2.133540601    
O         -1.634069386        -2.438929263         2.024121754    
H          1.716022661        -2.589410567         2.921602179    
H          3.130815530        -1.833153014       -0.5598959834    
H          2.368288070       -0.5114002393       -0.1864812884    
H         0.7087157426         1.123208669       -0.9355688350    
H         -1.681692618        0.7300688683       -0.3588128371    
H         -1.629733088         2.213745358       -0.9105488449    
H         -2.368103595        -1.134765022         1.046434560    
H         -3.295953820        -1.030426341       -0.1961339922    
H          1.736681333        -2.302339272         1.387096835    
H        -0.5963731528        -2.554734078         2.059658091    
H         -1.929306023        -2.818566626         2.867827517    
H          2.081025979         1.829871205       -0.7084006655    
    18
Energy=    -6256.51056576670    
O         -1.050397817         1.441773231       -0.7941744359    
O          2.736743889        -1.403080889        0.2162569489    
O          1.737834742        0.9607693384       -0.9697848264    
O         -2.794249184       -0.4446564379        0.3909312229    
O          1.182068740        -2.776766624         2.133978800    
O         -1.633943848        -2.439110567         2.023684664    
H          1.715950752        -2.589541984         2.922159011    
H          3.130998475        -1.832999180       -0.5590545421    
H          2.368575899       -0.5112877829       -0.1858082265    
H         0.7087192303         1.122549963       -0.9363813061    
H         -1.682163761        0.7293354447       -0.3617621117    
H         -1.628560635         2.216164648       -0.9026185098    
H         -2.367956831        -1.135078920         1.045955160    
H         -3.296964899        -1.030273193       -0.1957613997    
H          1.736888012        -2.302200229         1.387696732    
H        -0.5962444178        -2.554848627         2.059541162    
H         -1.929357027        -2.818330958         2.867518533    
H          2.081090663         1.830079323       -0.7110524778    
    18
Energy=    -6256.51054839423    
O         -1.051381672         1.441155548       -0.7972233322    
O          2.736992790        -1.402876277        0.2169234816    
O          1.737790730        0.9603763323       -0.9699959609    
O         -2.794143004       -0.4448096184        0.3906784191    
O          1.182130308        -2.776753186         2.134314194    
O         -1.633845592        -2.439244255         2.023342549    
H          1.715894282        -2.589643291         2.922586032    
H          3.131135388        -1.832874312       -0.5584043413    
H          2.368805225       -0.5112108825       -0.1852837808    
H         0.7087512583         1.121995172       -0.9369950708    
H         -1.682507605        0.7287578890       -0.3640151185    
H         -1.627657692         2.218022526       -0.8965075428    
H         -2.367850227        -1.135319660         1.045582768    
H         -3.297743008        -1.030155880       -0.1954822886    
H          1.737049490        -2.302093658         1.388159088    
H        -0.5961430700        -2.554937215         2.059452442    
H         -1.929397259        -2.818147263         2.867278914    
H          2.081151642         1.830254588       -0.7130860540    
    18
Energy=    -6256.51053197393    
O         -1.052101485         1.440772793       -0.7992934655    
O          2.737160050        -1.402752169        0.2173868110    
O          1.737782108        0.9601155631       -0.9701585456    
O         -2.794095412       -0.4449028860        0.3905161187    
O          1.182169179        -2.776745660         2.134546571    
O         -1.633779072        -2.439331154         2.023107612    
H          1.715854106        -2.589712022         2.922869615    
H          3.131227072        -1.832787064       -0.5579720002    
H          2.368957667       -0.5111502050       -0.1849353866    
H         0.7088015061         1.121584005       -0.9373971447    
H         -1.682711938        0.7283431750       -0.3655150858    
H         -1.627055400         2.219295931       -0.8923981941    
H         -2.367770685        -1.135495480         1.045343053    
H         -3.298272107        -1.030084275       -0.1953063667    
H          1.737162610        -2.302019020         1.388466264    
H        -0.5960718408        -2.554997208         2.059393689    
H         -1.929425575        -2.818023448         2.867119227    
H          2.081201200         1.830385681       -0.7144483744    
    18
Energy=    -6256.51052880466    
O         -1.052226998         1.440717090       -0.7996335699    
O          2.737186075        -1.402730691        0.2174612761    
O          1.737784117        0.9600704370       -0.9701890487    
O         -2.794089617       -0.4449210397        0.3904946295    
O          1.182177513        -2.776742775         2.134585239    
O         -1.633765953        -2.439344638         2.023068586    
H          1.715845942        -2.589723812         2.922913596    
H          3.131241452        -1.832772077       -0.5579012366    
H          2.368983195       -0.5111423836       -0.1848774919    
H         0.7088140546         1.121511711       -0.9374602280    
H         -1.682740957        0.7282644014       -0.3657539365    
H         -1.626958728         2.219511815       -0.8917323857    
H         -2.367757764        -1.135522053         1.045302658    
H         -3.298359270        -1.030073267       -0.1952799341    
H          1.737180358        -2.302007534         1.388516945    
H        -0.5960620147        -2.555006735         2.059384023    
H         -1.929430514        -2.818003277         2.867093462    
H          2.081211090         1.830411385       -0.7146681849    
    18
Energy=    -6256.51052956381    
O         -1.052353107         1.440662232       -0.7999295761    
O          2.737211056        -1.402715020        0.2175219838    
O          1.737803782        0.9600469638       -0.9702133636    
O         -2.794089229       -0.4449402561        0.3904744548    
O          1.182183047        -2.776738861         2.134606050    
O         -1.633753465        -2.439361835         2.023045426    
H          1.715843666        -2.589732328         2.922959640    
H          3.131251390        -1.832755917       -0.5578337275    
H          2.369004281       -0.5111361855       -0.1848258821    
H         0.7088241836         1.121443929       -0.9375137587    
H         -1.682754869        0.7281835783       -0.3659613955    
H         -1.626877113         2.219720194       -0.8911515819    
H         -2.367744599        -1.135543553         1.045266402    
H         -3.298434423        -1.030060609       -0.1952554058    
H          1.737193242        -2.301999690         1.388566278    
H        -0.5960572210        -2.555013929         2.059374532    
H         -1.929432119        -2.817980856         2.867060470    
H          2.081213484         1.830418700       -0.7148661474    
    18
Energy=    -6256.51052893397    
O         -1.052415618         1.440646137       -0.8000551326    
O          2.737220893        -1.402708733        0.2175506647    
O          1.737811194        0.9600319273       -0.9702289991    
O         -2.794092728       -0.4449466824        0.3904688368    
O          1.182185174        -2.776738325         2.134619837    
O         -1.633749506        -2.439366503         2.023031049    
H          1.715841092        -2.589736411         2.922976076    
H          3.131256296        -1.832749662       -0.5578084039    
H          2.369012652       -0.5111331435       -0.1848049315    
H         0.7088350532         1.121410480       -0.9375332180    
H         -1.682754475        0.7281338234       -0.3660410236    
H         -1.626844044         2.219819185       -0.8909150412    
H         -2.367736781        -1.135552417         1.045252217    
H         -3.298467639        -1.030056981       -0.1952484049    
H          1.737200266        -2.301994979         1.388584329    
H        -0.5960533096        -2.555017220         2.059370991    
H         -1.929433965        -2.817973389         2.867050944    
H          2.081217428         1.830429450       -0.7149453920    
    18
Energy=    -6256.51052878531    
O         -1.052428606         1.440644312       -0.8000788698    
O          2.737223038        -1.402708092        0.2175555111    
O          1.737815276        0.9600294301       -0.9702322428    
O         -2.794093685       -0.4449480533        0.3904684518    
O          1.182186088        -2.776737651         2.134621505    
O         -1.633747911        -2.439367887         2.023029380    
H          1.715840587        -2.589737188         2.922979190    
H          3.131256890        -1.832748149       -0.5578031143    
H          2.369013975       -0.5111325933       -0.1848009631    
H         0.7088362101         1.121403969       -0.9375364014    
H         -1.682753737        0.7281213724       -0.3660546060    
H         -1.626838076         2.219839920       -0.8908719469    
H         -2.367735153        -1.135553672         1.045249344    
H         -3.298474058        -1.030056450       -0.1952474783    
H          1.737201011        -2.301994514         1.388588342    
H        -0.5960535691        -2.555017644         2.059370178    
H         -1.929434123        -2.817971604         2.867048303    
H          2.081217826         1.830431050       -0.7149601836    
    18
Energy=    -6256.51052857446    
O         -1.052447579         1.440641609       -0.8001000192    
O          2.737225091        -1.402707238        0.2175607947    
O          1.737819550        0.9600263920       -0.9702368946    
O         -2.794096615       -0.4449488469        0.3904685034    
O          1.182186298        -2.776737805         2.134623872    
O         -1.633747566        -2.439368708         2.023026842    
H          1.715840240        -2.589737836         2.922982133    
H          3.131257708        -1.832746996       -0.5577990357    
H          2.369014671       -0.5111321031       -0.1847972618    
H         0.7088417008         1.121396301       -0.9375380001    
H         -1.682747307        0.7280973797       -0.3660634867    
H         -1.626834192         2.219872344       -0.8908362358    
H         -2.367732208        -1.135553749         1.045246460    
H         -3.298480503        -1.030055878       -0.1952474122    
H          1.737202223        -2.301993492         1.388591232    
H        -0.5960528425        -2.555017975         2.059369397    
H         -1.929434603        -2.817970438         2.867046916    
H          2.081217918         1.830433595       -0.7149734075    
    18
Energy=    -6256.51052848679    
O         -1.052448491         1.440641469       -0.8001014476    
O          2.737225301        -1.402707343        0.2175611988    
O          1.737820221        0.9600260686       -0.9702372692    
O         -2.794096850       -0.4449487470        0.3904685329    
O          1.182186300        -2.776737835         2.134624033    
O         -1.633747553        -2.439368770         2.023026691    
H          1.715840224        -2.589737874         2.922982320    
H          3.131257757        -1.832746917       -0.5577987945    
H          2.369014642       -0.5111319552       -0.1847970894    
H         0.7088417719         1.121395876       -0.9375380547    
H         -1.682747034        0.7280955081       -0.3660638464    
H         -1.626834163         2.219874756       -0.8908341142    
H         -2.367731968        -1.135553819         1.045246334    
H         -3.298480965        -1.030055925       -0.1952474847    
H          1.737202301        -2.301993414         1.388591398    
H        -0.5960527897        -2.555017993         2.059369348    
H         -1.929434635        -2.817970371         2.867046841    
H          2.081217916         1.830433841       -0.7149741964    
    18
Energy=    -6256.51052699116    
O         -1.052437886         1.440628977       -0.8001029957    
O          2.737225616        -1.402707404        0.2175616489    
O          1.737822801        0.9600244073       -0.9702381347    
O         -2.794097051       -0.4449486594        0.3904686772    
O          1.182186333        -2.776737863         2.134624252    
O         -1.633747566        -2.439368855         2.023026489    
H          1.715840193        -2.589737928         2.922982566    
H          3.131257819        -1.832746809       -0.5577984438    
H          2.369014570       -0.5111318893       -0.1847967525    
H         0.7088407958         1.121395979       -0.9375381218    
H         -1.682748989        0.7280923231       -0.3660634015    
H         -1.626844331         2.219890984       -0.8908324628    
H         -2.367731618        -1.135553936         1.045246156    
H         -3.298481650        -1.030056056       -0.1952476724    
H          1.737202383        -2.301993325         1.388591656    
H        -0.5960527072        -2.555018029         2.059369292    
H         -1.929434670        -2.817970273         2.867046726    
H          2.081217943         1.830434913       -0.7149750791    
    18
Energy=    -6256.51052397851    
O         -1.052427429         1.440615821       -0.8001025723    
O          2.737225640        -1.402707318        0.2175617585    
O          1.737822184        0.9600232393       -0.9702385487    
O         -2.794096757       -0.4449482633        0.3904687959    
O          1.182186336        -2.776737857         2.134624286    
O         -1.633747569        -2.439368858         2.023026384    
H          1.715840192        -2.589737942         2.922982662    
H          3.131257853        -1.832746789       -0.5577983455    
H          2.369014630       -0.5111319476       -0.1847965838    
H         0.7088416676         1.121396158       -0.9375382724    
H         -1.682750365        0.7280919031       -0.3660632573    
H         -1.626854129         2.219904488       -0.8908327096    
H         -2.367731483        -1.135554083         1.045246148    
H         -3.298482026        -1.030056306       -0.1952479369    
H          1.737202410        -2.301993315         1.388591761    
H        -0.5960526669        -2.555018055         2.059369288    
H         -1.929434687        -2.817970247         2.867046712    
H          2.081218184         1.830435929       -0.7149751714    
    18
Energy=    -6256.51047748607    
O         -1.053376299         1.439758595       -0.8034915398    
O          2.737567330        -1.402408083        0.2184040448    
O          1.737318757        0.9594503171       -0.9703141288    
O         -2.793699182       -0.4450928686        0.3898729310    
O          1.182264412        -2.776709637         2.135032265    
O         -1.633651824        -2.439529035         2.022629091    
H          1.715782839        -2.589875189         2.923522254    
H          3.131415336        -1.832523649       -0.5570066259    
H          2.369083227       -0.5110331938       -0.1841313896    
H         0.7083365515         1.121024227       -0.9380213205    
H         -1.683155916        0.7271614619       -0.3688148475    
H         -1.625071913         2.222116423       -0.8834308411    
H         -2.367304968        -1.135771256         1.044592043    
H         -3.299578494        -1.029891846       -0.1948542486    
H          1.737403788        -2.301826866         1.389173227    
H        -0.5959587099        -2.555120916         2.059254726    
H         -1.929486491        -2.817754949         2.866764581    
H          2.081143538         1.830523020       -0.7178558221    
    18
Energy=    -6256.51051998300    
O         -1.054325168         1.438901370       -0.8068805073    
O          2.737909020        -1.402108848        0.2192463311    
O          1.736815331        0.9588773950       -0.9703897088    
O         -2.793301607       -0.4452374739        0.3892770661    
O          1.182342489        -2.776681417         2.135440244    
O         -1.633556078        -2.439689211         2.022231797    
H          1.715725486        -2.590012435         2.924061846    
H          3.131572820        -1.832300510       -0.5562149063    
H          2.369151824       -0.5109344400       -0.1834661955    
H         0.7078314354         1.120652295       -0.9385043687    
H         -1.683561468        0.7262310207       -0.3715664377    
H         -1.623289697         2.224328358       -0.8760289727    
H         -2.366878452        -1.135988429         1.043937937    
H         -3.300674962        -1.029727386       -0.1944605603    
H          1.737605166        -2.301660418         1.389754693    
H        -0.5958647528        -2.555223777         2.059140163    
H         -1.929538294        -2.817539650         2.866482451    
H          2.081068893         1.830610112       -0.7207364729    
    18
Energy=    -6256.51052299233    
O         -1.054335805         1.438914383       -0.8068815292    
O          2.737909098        -1.402108845        0.2192464727    
O          1.736815796        0.9588783900       -0.9703893178    
O         -2.793301784       -0.4452379125        0.3892767708    
O          1.182342508        -2.776681414         2.135440332    
O         -1.633556046        -2.439689256         2.022231783    
H          1.715725469        -2.590012462         2.924061911    
H          3.131572831        -1.832300463       -0.5562147687    
H          2.369151782       -0.5109343472       -0.1834661682    
H         0.7078304204         1.120651999       -0.9385043780    
H         -1.683560221        0.7262311583       -0.3715674223    
H         -1.623279469         2.224315409       -0.8760269007    
H         -2.366878460        -1.135988347         1.043937751    
H         -3.300674910        -1.029727085       -0.1944601790    
H          1.737605199        -2.301660379         1.389754762    
H        -0.5958647644        -2.555223782         2.059140132    
H         -1.929538293        -2.817539611         2.866482381    
H          2.081068630         1.830609122       -0.7207372324    
    18
Energy=    -6256.51052447965    
O         -1.054347144         1.438926224       -0.8068826117    
O          2.737909093        -1.402108508        0.2192467842    
O          1.736812775        0.9588795187       -0.9703885278    
O         -2.793301228       -0.4452381335        0.3892760798    
O          1.182342546        -2.776681359         2.135440485    
O         -1.633555945        -2.439689320         2.022231624    
H          1.715725449        -2.590012532         2.924062156    
H          3.131572910        -1.832300371       -0.5562144018    
H          2.369151911       -0.5109343135       -0.1834659059    
H         0.7078309542         1.120651552       -0.9385047639    
H         -1.683558656        0.7262334904       -0.3715703509    
H         -1.623267812         2.224301082       -0.8760222692    
H         -2.366878422        -1.135988427         1.043937334    
H         -3.300675218        -1.029726803       -0.1944596339    
H          1.737605301        -2.301660320         1.389755033    
H        -0.5958647598        -2.555223839         2.059140083    
H         -1.929538305        -2.817539512         2.866482239    
H          2.081068533         1.830608127       -0.7207389541    
    18
Energy=    -6256.51052456262    
O         -1.054346839         1.438925790       -0.8068834014    
O          2.737909110        -1.402108202        0.2192469349    
O          1.736811791        0.9588794567       -0.9703882081    
O         -2.793300733       -0.4452383285        0.3892756536    
O          1.182342596        -2.776681311         2.135440595    
O         -1.633555894        -2.439689366         2.022231510    
H          1.715725427        -2.590012585         2.924062327    
H          3.131572964        -1.832300303       -0.5562141200    
H          2.369151981       -0.5109343895       -0.1834656416    
H         0.7078305610         1.120651730       -0.9385050287    
H         -1.683559202        0.7262347460       -0.3715717753    
H         -1.623266698         2.224300151       -0.8760195413    
H         -2.366878380        -1.135988500         1.043937027    
H         -3.300675483        -1.029726651       -0.1944593041    
H          1.737605357        -2.301660289         1.389755253    
H        -0.5958647490        -2.555223890         2.059140056    
H         -1.929538307        -2.817539436         2.866482128    
H          2.081068482         1.830607933       -0.7207400661    
    18
Energy=    -6256.51052470905    
O         -1.054338097         1.438919413       -0.8068981688    
O          2.737910706        -1.402105870        0.2192506183    
O          1.736802582        0.9588762685       -0.9703845161    
O         -2.793293709       -0.4452390484        0.3892692819    
O          1.182343210        -2.776680863         2.135442592    
O         -1.633555218        -2.439690279         2.022229790    
H          1.715725167        -2.590013390         2.924065143    
H          3.131573796        -1.832299086       -0.5562097857    
H          2.369151958       -0.5109337119       -0.1834623224    
H         0.7078200120         1.120655303       -0.9385085495    
H         -1.683569834        0.7262484348       -0.3715915488    
H         -1.623252103         2.224291831       -0.8759770838    
H         -2.366876761        -1.135990706         1.043932942    
H         -3.300680757        -1.029725540       -0.1944552694    
H          1.737606301        -2.301659553         1.389758557    
H        -0.5958644517        -2.555224650         2.059139605    
H         -1.929538383        -2.817538293         2.866480516    
H          2.081067565         1.830606297       -0.7207574015    
    18
Energy=    -6256.51052483204    
O         -1.054336604         1.438911359       -0.8069133329    
O          2.737912453        -1.402102970        0.2192554608    
O          1.736792882        0.9588721856       -0.9703822832    
O         -2.793288353       -0.4452394237        0.3892628551    
O          1.182343196        -2.776681219         2.135445653    
O         -1.633555720        -2.439690751         2.022226825    
H          1.715725010        -2.590014189         2.924068267    
H          3.131574984        -1.832298018       -0.5562059589    
H          2.369151438       -0.5109331251       -0.1834586427    
H         0.7078135849         1.120657241       -0.9385109137    
H         -1.683574893        0.7262496344       -0.3716092902    
H         -1.623237872         2.224297305       -0.8759352680    
H         -2.366873455        -1.135991865         1.043928229    
H         -3.300686987        -1.029724167       -0.1944517192    
H          1.737607899        -2.301658103         1.389761244    
H        -0.5958630826        -2.555225412         2.059139084    
H         -1.929538827        -2.817537578         2.866479913    
H          2.081066331         1.830605653       -0.7207757235    
    18
Energy=    -6256.51052528674    
O         -1.054335467         1.438876657       -0.8069921677    
O          2.737922844        -1.402091041        0.2192778287    
O          1.736756961        0.9588527130       -0.9703727811    
O         -2.793262870       -0.4452419017        0.3892335821    
O          1.182345521        -2.776680373         2.135456958    
O         -1.633554252        -2.439695541         2.022216526    
H          1.715724107        -2.590018299         2.924084329    
H          3.131579507        -1.832290993       -0.5561839467    
H          2.369147693       -0.5109300899       -0.1834397870    
H         0.7077767585         1.120665622       -0.9385208137    
H         -1.683597490        0.7262402222       -0.3716931888    
H         -1.623166815         2.224335983       -0.8757279216    
H         -2.366855894        -1.135996044         1.043903456    
H         -3.300719681        -1.029718027       -0.1944356641    
H          1.737613362        -2.301652662         1.389777860    
H        -0.5958607586        -2.555228386         2.059135728    
H         -1.929540206        -2.817532124         2.866472818    
H          2.081058665         1.830600840       -0.7208684172    
    18
Energy=    -6256.51052506140    
O         -1.054352947         1.438805226       -0.8071948386    
O          2.737948325        -1.402063079        0.2193391300    
O          1.736671037        0.9587951610       -0.9703599326    
O         -2.793206594       -0.4452455755        0.3891673481    
O          1.182352184        -2.776679064         2.135493146    
O         -1.633551003        -2.439703766         2.022183854    
H          1.715718603        -2.590029642         2.924119189    
H          3.131591573        -1.832273614       -0.5561329404    
H          2.369137458       -0.5109216858       -0.1833935884    
H         0.7076950298         1.120675971       -0.9385397782    
H         -1.683642004        0.7261831966       -0.3718889459    
H         -1.622991560         2.224457361       -0.8752203146    
H         -2.366807810        -1.136006001         1.043843149    
H         -3.300805263        -1.029706145       -0.1944023306    
H          1.737628983        -2.301637202         1.389816033    
H        -0.5958534056        -2.555236054         2.059127854    
H         -1.929545464        -2.817521183         2.866461217    
H          2.081044841         1.830602654       -0.7210938529    
    18
Energy=    -6256.51052692083    
O         -1.054409738         1.438667048       -0.8075651950    
O          2.737997389        -1.402015584        0.2194478000    
O          1.736534089        0.9587102188       -0.9703347398    
O         -2.793111224       -0.4452561113        0.3890434026    
O          1.182360519        -2.776676263         2.135544080    
O         -1.633545851        -2.439724686         2.022136213    
H          1.715715196        -2.590047951         2.924193201    
H          3.131610768        -1.832237983       -0.5560335784    
H          2.369116996       -0.5109070397       -0.1833077884    
H         0.7075466615         1.120686597       -0.9385713403    
H         -1.683706225        0.7260614457       -0.3722458586    
H         -1.622673110         2.224707286       -0.8742910296    
H         -2.366715766        -1.136022882         1.043732142    
H         -3.300961150        -1.029680360       -0.1943397865    
H          1.737655667        -2.301610557         1.389891081    
H        -0.5958427812        -2.555248989         2.059112413    
H         -1.929551894        -2.817495591         2.866427880    
H          2.081012437         1.830587957       -0.7215144991    
    18
Energy=    -6256.51053470004    
O         -1.054630263         1.438265968       -0.8087540854    
O          2.738143569        -1.401856210        0.2197815930    
O          1.736121943        0.9584275381       -0.9702781274    
O         -2.792820170       -0.4453115355        0.3886843968    
O          1.182400442        -2.776655696         2.135708170    
O         -1.633513782        -2.439786923         2.021982431    
H          1.715694207        -2.590109508         2.924413086    
H          3.131667354        -1.832120289       -0.5557158418    
H          2.369058794       -0.5108758596       -0.1830282688    
H         0.7071040948         1.120687662       -0.9386580137    
H         -1.683887702        0.7256217811       -0.3733439044    
H         -1.621680805         2.225541854       -0.8713735765    
H         -2.366428894        -1.136063238         1.043372294    
H         -3.301457784        -1.029602098       -0.1941545789    
H          1.737734677        -2.301531635         1.390133567    
H        -0.5958214944        -2.555288304         2.059062949    
H         -1.929573848        -2.817413873         2.866322339    
H          2.080921643         1.830566922       -0.7228300314    
    18
Energy=    -6256.51053952375    
O         -1.055183014         1.437463770       -0.8112618510    
O          2.738457575        -1.401568552        0.2205192272    
O          1.735309390        0.9578642400       -0.9701889794    
O         -2.792264121       -0.4453851794        0.3879282380    
O          1.182468055        -2.776623753         2.136057520    
O         -1.633454900        -2.439915870         2.021659865    
H          1.715654681        -2.590235779         2.924875793    
H          3.131786333        -1.831870040       -0.5550659010    
H          2.368926031       -0.5107765070       -0.1824626059    
H         0.7062217542         1.120627631       -0.9388220344    
H         -1.684217433        0.7246747282       -0.3756159961    
H         -1.619627529         2.227328790       -0.8652857474    
H         -2.365807789        -1.136191228         1.042655276    
H         -3.302503215        -1.029453345       -0.1937867398    
H          1.737911476        -2.301357391         1.390628947    
H        -0.5957645635        -2.555371452         2.058961605    
H         -1.929619998        -2.817241062         2.866100369    
H          2.080739251         1.830527559       -0.7255725865    
    18
Energy=    -6256.51057514751    
O         -1.055693732         1.436890950       -0.8133067571    
O          2.738690991        -1.401319792        0.2210911750    
O          1.734717467        0.9574192057       -0.9701428252    
O         -2.791843591       -0.4454975623        0.3873654790    
O          1.182518362        -2.776594840         2.136324708    
O         -1.633409316        -2.440010736         2.021396601    
H          1.715625780        -2.590335268         2.925249376    
H          3.131874333        -1.831660301       -0.5545375908    
H          2.368834647       -0.5107218721       -0.1819948807    
H         0.7055508622         1.120518463       -0.9389384719    
H         -1.684459383        0.7238952562       -0.3774056547    
H         -1.618001554         2.228769396       -0.8604177208    
H         -2.365326742        -1.136280748         1.042068175    
H         -3.303333381        -1.029328163       -0.1934977630    
H          1.738054717        -2.301219970         1.391028316    
H        -0.5957145083        -2.555438297         2.058882196    
H         -1.929657273        -2.817098268         2.865917098    
H          2.080604304         1.830509103       -0.7277570622    
    18
Energy=    -6256.51060265639    
O         -1.055926808         1.436670847       -0.8141602201    
O          2.738785091        -1.401221193        0.2213290990    
O          1.734483749        0.9572386688       -0.9701310673    
O         -2.791678827       -0.4455438168        0.3871402830    
O          1.182541681        -2.776579825         2.136435104    
O         -1.633384776        -2.440050154         2.021289469    
H          1.715611467        -2.590377163         2.925400504    
H          3.131909127        -1.831571166       -0.5543188640    
H          2.368798750       -0.5106978911       -0.1818016847    
H         0.7052896309         1.120454242       -0.9389835487    
H         -1.684551329        0.7235783253       -0.3781405875    
H         -1.617335435         2.229361001       -0.8584062968    
H         -2.365129927        -1.136324505         1.041829270    
H         -3.303676690        -1.029279680       -0.1933828403    
H          1.738113046        -2.301164489         1.391194573    
H        -0.5956965290        -2.555465448         2.058849326    
H         -1.929672657        -2.817037053         2.865838046    
H          2.080552419         1.830505856       -0.7286561665    
    18
Energy=    -6256.51067224497    
O         -1.056420572         1.436231283       -0.8159310843    
O          2.738974948        -1.401018552        0.2218216409    
O          1.734012973        0.9568688306       -0.9701115251    
O         -2.791347318       -0.4456452046        0.3866820988    
O          1.182587188        -2.776549943         2.136663123    
O         -1.633334532        -2.440128895         2.021064793    
H          1.715582387        -2.590463247         2.925712748    
H          3.131980307        -1.831386089       -0.5538686318    
H          2.368728434       -0.5106475057       -0.1814024825    
H         0.7047670968         1.120303708       -0.9390765773    
H         -1.684740176        0.7229446942       -0.3796559942    
H         -1.615970336         2.230567495       -0.8542511967    
H         -2.364730551        -1.136421420         1.041338758    
H         -3.304381608        -1.029180022       -0.1931462202    
H          1.738235406        -2.301049227         1.391535866    
H        -0.5956551021        -2.555521876         2.058782402    
H         -1.929705315        -2.816909942         2.865675268    
H          2.080448753         1.830502468       -0.7305085880    
    18
Energy=    -6256.51078572696    
O         -1.057157785         1.435615644       -0.8185171275    
O          2.739246355        -1.400725673        0.2225370629    
O          1.733345189        0.9563340441       -0.9700891080    
O         -2.790875014       -0.4457965222        0.3860253251    
O          1.182653618        -2.776505137         2.136994019    
O         -1.633258643        -2.440242924         2.020738910    
H          1.715539098        -2.590588591         2.926165284    
H          3.132081974        -1.831114618       -0.5532132120    
H          2.368630832       -0.5105739466       -0.1808208490    
H         0.7040256192         1.120063240       -0.9392116567    
H         -1.685012944        0.7220445688       -0.3818565458    
H         -1.613994377         2.232302035       -0.8482066601    
H         -2.364157475        -1.136571136         1.040629344    
H         -3.305403795        -1.029037684       -0.1928049421    
H          1.738413503        -2.300882378         1.392032068    
H        -0.5955934681        -2.555603750         2.058685507    
H         -1.929752824        -2.816722283         2.865434781    
H          2.080302119         1.830501668       -0.7331978015    
    18
Energy=    -6256.51089159170    
O         -1.057671965         1.435281878       -0.8201534762    
O          2.739408047        -1.400545292        0.2229830118    
O          1.732967480        0.9560093307       -0.9700913056    
O         -2.790602666       -0.4459068754        0.3856356058    
O          1.182692711        -2.776475831         2.137196139    
O         -1.633208730        -2.440310776         2.020533608    
H          1.715512576        -2.590666218         2.926447941    
H          3.132141804        -1.830939815       -0.5528029163    
H          2.368576217       -0.5105305354       -0.1804549826    
H         0.7035935786         1.119868932       -0.9392887289    
H         -1.685166550        0.7214846390       -0.3832146264    
H         -1.612772643         2.233376163       -0.8444365643    
H         -2.363808047        -1.136671643         1.040189197    
H         -3.306038179        -1.028950084       -0.1925979680    
H          1.738526139        -2.300778725         1.392341842    
H        -0.5955523600        -2.555654740         2.058626087    
H         -1.929782968        -2.816601635         2.865280586    
H          2.080217536         1.830507782       -0.7348690511    
    18
Energy=    -6256.51096901504    
O         -1.058037495         1.435041048       -0.8213235010    
O          2.739523642        -1.400417446        0.2233029014    
O          1.732690974        0.9557743566       -0.9700911463    
O         -2.790405565       -0.4459805902        0.3853557431    
O          1.182723433        -2.776453305         2.137342716    
O         -1.633169402        -2.440360878         2.020388178    
H          1.715491604        -2.590722612         2.926648060    
H          3.132184741        -1.830814991       -0.5525089603    
H          2.368538069       -0.5104972408       -0.1801933637    
H         0.7032890931         1.119730537       -0.9393473284    
H         -1.685279755        0.7210992460       -0.3841921445    
H         -1.611898449         2.234133101       -0.8417331217    
H         -2.363560442        -1.136748258         1.039876191    
H         -3.306492540        -1.028889688       -0.1924501673    
H          1.738605506        -2.300705417         1.392564347    
H        -0.5955245707        -2.555690911         2.058583202    
H         -1.929804524        -2.816514262         2.865168671    
H          2.080157663         1.830513867       -0.7360658784    
    18
Energy=    -6256.51109929815    
O         -1.058500173         1.434822896       -0.8226621244    
O          2.739645511        -1.400275855        0.2236638460    
O          1.732419524        0.9555202854       -0.9701056006    
O         -2.790207444       -0.4460812227        0.3850595434    
O          1.182753672        -2.776428706         2.137504792    
O         -1.633124828        -2.440412678         2.020219497    
H          1.715469196        -2.590785143         2.926874253    
H          3.132230108        -1.830670114       -0.5521784619    
H          2.368502164       -0.5104610285       -0.1798965504    
H         0.7029791779         1.119530483       -0.9394083735    
H         -1.685393877        0.7206746673       -0.3852776759    
H         -1.610927777         2.234969012       -0.8386927659    
H         -2.363292441        -1.136842823         1.039527423    
H         -3.306997887        -1.028821563       -0.1922879327    
H          1.738697610        -2.300622307         1.392812946    
H        -0.5954873154        -2.555731876         2.058536491    
H         -1.929829929        -2.816413247         2.865040967    
H          2.080096692         1.830525776       -0.7374058754    
    18
Energy=    -6256.51124113226    
O         -1.059180620         1.434374112       -0.8248709178    
O          2.739862631        -1.400035376        0.2242707435    
O          1.731894461        0.9550754603       -0.9700990048    
O         -2.789833436       -0.4462189544        0.3845275720    
O          1.182809829        -2.776388920         2.137784391    
O         -1.633051339        -2.440506590         2.019940516    
H          1.715430088        -2.590891431         2.927253280    
H          3.132312459        -1.830436514       -0.5516252073    
H          2.368433038       -0.5103932275       -0.1794033586    
H         0.7024090439         1.119271529       -0.9395286748    
H         -1.685621648        0.7199853556       -0.3871339945    
H         -1.609277407         2.236360419       -0.8335769125    
H         -2.362834081        -1.136995377         1.038939656    
H         -3.307851273        -1.028707367       -0.1920047081    
H          1.738848549        -2.300482881         1.393230865    
H        -0.5954295671        -2.555800634         2.058456200    
H         -1.929871783        -2.816248528         2.864832101    
H          2.079983038         1.830535482       -0.7396681469    
    18
Energy=    -6256.51137944777    
O         -1.059649375         1.434161469       -0.8262184247    
O          2.739983158        -1.399893866        0.2246325523    
O          1.731620194        0.9548154527       -0.9701125159    
O         -2.789632987       -0.4463146854        0.3842326693    
O          1.182843577        -2.776361983         2.137948307    
O         -1.633001439        -2.440561417         2.019774298    
H          1.715405403        -2.590955185         2.927478753    
H          3.132357281        -1.830290305       -0.5512909775    
H          2.368400954       -0.5103548585       -0.1791035436    
H         0.7021089040         1.119065207       -0.9395965139    
H         -1.685741648        0.7195895261       -0.3882337329    
H         -1.608303920         2.237174254       -0.8305099419    
H         -2.362572286        -1.137099597         1.038592442    
H         -3.308359038        -1.028643219       -0.1918430916    
H          1.738939248        -2.300400972         1.393482438    
H        -0.5953931875        -2.555841290         2.058408835    
H         -1.929896891        -2.816143753         2.864698752    
H          2.079924035         1.830551778       -0.7410159075    
    18
Energy=    -6256.51145515667    
O         -1.063557915         1.432455394       -0.8375804023    
O          2.740991412        -1.398739211        0.2277352795    
O          1.729357446        0.9526871379       -0.9701928433    
O         -2.787991038       -0.4471916907        0.3817363911    
O          1.183118340        -2.776152515         2.139352306    
O         -1.632556630        -2.440991795         2.018283176    
H          1.715195373        -2.591491606         2.929376401    
H          3.132746792        -1.829078037       -0.5485103651    
H          2.368146121       -0.5099726939       -0.1765992576    
H         0.6996815085         1.117289429       -0.9402321130    
H         -1.686832567        0.7164323261       -0.3975031401    
H         -1.600177358         2.243862580       -0.8046619670    
H         -2.360451664        -1.138008676         1.035686249    
H         -3.312566189        -1.028064662       -0.1904339789    
H          1.739707146        -2.299706048         1.395582104    
H        -0.5950557348        -2.556186489         2.058019329    
H         -1.930133736        -2.815282884         2.863643100    
H          2.079410677         1.830635997       -0.7523758703    
    18
Energy=    -6256.51215854405    
O         -1.062773519         1.433733109       -0.8334103151    
O          2.740472019        -1.399213758        0.2264913628    
O          1.730712132        0.9535429804       -0.9703900061    
O         -2.788910785       -0.4469542825        0.3830207609    
O          1.183018386        -2.776194219         2.138764900    
O         -1.632653542        -2.440821789         2.018902328    
H          1.715257537        -2.591284581         2.928610643    
H          3.132537097        -1.829474997       -0.5495581291    
H          2.368376165       -0.5101542045       -0.1775146237    
H         0.7011909365         1.117345152       -0.9399489828    
H         -1.686192381        0.7179417007       -0.3937517275    
H         -1.603604611         2.241041888       -0.8147370045    
H         -2.361449960        -1.137844948         1.036901521    
H         -3.310895431        -1.028376448       -0.1911102417    
H          1.739407031        -2.300000531         1.394777709    
H        -0.5951654743        -2.556042808         2.058178179    
H         -1.930035914        -2.815529966         2.863928213    
H          2.079742299         1.830784256       -0.7478301878    
    18
Energy=    -6256.51274643276    
O         -1.062901352         1.433262522       -0.8347783195    
O          2.740659258        -1.399051129        0.2269174763    
O          1.730179889        0.9532220702       -0.9702675935    
O         -2.788545422       -0.4469844553        0.3825335978    
O          1.183045807        -2.776197700         2.138983925    
O         -1.632640727        -2.440890981         2.018694407    
H          1.715240358        -2.591353964         2.928877938    
H          3.132617766        -1.829357545       -0.5492065192    
H          2.368303127       -0.5100707600       -0.1772096196    
H         0.7006219178         1.117424812       -0.9401052257    
H         -1.686513012        0.7176177273       -0.3951063861    
H         -1.602404861         2.241797996       -0.8112615898    
H         -2.361136645        -1.137930953         1.036505758    
H         -3.311453220        -1.028276041       -0.1908579396    
H          1.739512146        -2.299894752         1.395040012    
H        -0.5951043752        -2.556094250         2.058124782    
H         -1.930067182        -2.815446206         2.863832983    
H          2.079618511         1.830720165       -0.7493932883    
    18
Energy=    -6256.51343342408    
O         -1.064849926         1.432103027       -0.8416000033    
O          2.741315249        -1.398336507        0.2288407047    
O          1.728558948        0.9518625516       -0.9701222433    
O         -2.787372032       -0.4474258944        0.3808350235    
O          1.183202843        -2.776116805         2.139897310    
O         -1.632404102        -2.441177238         2.017750537    
H          1.715122371        -2.591681081         2.930065984    
H          3.132890039        -1.828673407       -0.5475178510    
H          2.368156712       -0.5097657515       -0.1756935496    
H         0.6989560864         1.116659627       -0.9406877399    
H         -1.687512062        0.7162038406       -0.4010335978    
H         -1.597296778         2.245312147       -0.7952373032    
H         -2.359924415        -1.138542123         1.034749954    
H         -3.313985191        -1.027904693       -0.1898958849    
H          1.739983714        -2.299456528         1.396303458    
H        -0.5948399500        -2.556313320         2.057888054    
H         -1.930217207        -2.814933894         2.863224215    
H          2.079247682         1.830682604       -0.7564426697    
    18
Energy=    -6256.51433974673    
O         -1.064399019         1.432254272       -0.8406799765    
O          2.741242076        -1.398424704        0.2286172276    
O          1.728657138        0.9519991186       -0.9700284386    
O         -2.787441393       -0.4473264008        0.3809714172    
O          1.183178960        -2.776155892         2.139818297    
O         -1.632440646        -2.441156906         2.017840684    
H          1.715140851        -2.591640006         2.929933564    
H          3.132872974        -1.828792661       -0.5477340368    
H          2.368207748       -0.5097526420       -0.1758838044    
H         0.6991462954         1.116889718       -0.9407660740    
H         -1.687598696        0.7168067611       -0.4004644433    
H         -1.597892886         2.244424818       -0.7970872814    
H         -2.360178529        -1.138534020         1.034998661    
H         -3.313625824        -1.027946751       -0.1899587366    
H          1.739922749        -2.299507288         1.396133370    
H        -0.5948266174        -2.556289895         2.057920068    
H         -1.930204196        -2.814995947         2.863314330    
H          2.079270999         1.830644982       -0.7556204276    
    18
Energy=    -6256.51635002902    
O         -1.065968950         1.431824867       -0.8458816454    
O          2.741678470        -1.397853408        0.2300864480    
O          1.727492983        0.9508383881       -0.9697736406    
O         -2.786523156       -0.4476109301        0.3797036289    
O          1.183306921        -2.776141915         2.140578547    
O         -1.632213044        -2.441446476         2.017096682    
H          1.715048169        -2.591892450         2.930883424    
H          3.133081621        -1.828305986       -0.5463999857    
H          2.368304860       -0.5094344069       -0.1746404704    
H         0.6982548877         1.116221349       -0.9416368422    
H         -1.688737970        0.7169478019       -0.4054048683    
H         -1.594045214         2.245879954       -0.7843449425    
H         -2.359664363        -1.139306938         1.033778818    
H         -3.315448974        -1.027717742       -0.1891723201    
H          1.740262642        -2.299186771         1.397099353    
H        -0.5944926928        -2.556457095         2.057741944    
H         -1.930322069        -2.814511869         2.862755805    
H          2.079017863         1.830650184       -0.7611455371    
    18
Energy=    -6256.51763333605    
O         -1.068958536         1.431616547       -0.8538102574    
O          2.742372958        -1.397178632        0.2324037234    
O          1.726099030        0.9493527419       -0.9696022762    
O         -2.785453116       -0.4483169877        0.3780080755    
O          1.183571111        -2.776050311         2.141672837    
O         -1.631709069        -2.441818611         2.015843317    
H          1.714873339        -2.592280750         2.932260324    
H          3.133358548        -1.827525603       -0.5444002633    
H          2.368430055       -0.5089067341       -0.1727947827    
H         0.6972710388         1.114787941       -0.9428180432    
H         -1.690079680        0.7162037686       -0.4124663832    
H         -1.588468922         2.248874528       -0.7654901177    
H         -2.358859939        -1.140326489         1.031916511    
H         -3.318173863        -1.027306814       -0.1880775133    
H          1.740721248        -2.298750338         1.398612721    
H        -0.5941065337        -2.556699180         2.057476307    
H         -1.930533484        -2.813810719         2.862000756    
H          2.078677797         1.830632199       -0.7694105379    
    18
Energy=    -6256.51878330492    
O         -1.071520159         1.432001370       -0.8585034227    
O          2.742685105        -1.396550788        0.2336825672    
O          1.725756268        0.9481833528       -0.9696281755    
O         -2.784956480       -0.4486238564        0.3771564313    
O          1.183658640        -2.776090862         2.142376452    
O         -1.631508774        -2.442171113         2.015242546    
H          1.714812765        -2.592495615         2.933170049    
H          3.133496368        -1.827057247       -0.5431228721    
H          2.368754117       -0.5087765894       -0.1714703653    
H         0.6969229266         1.113667688       -0.9437361138    
H         -1.690723942        0.7158695279       -0.4168629894    
H         -1.585231849         2.250515654       -0.7539631536    
H         -2.358549468        -1.141127042         1.030918194    
H         -3.319862522        -1.027179476       -0.1875736886    
H          1.741030501        -2.298475413         1.399506794    
H        -0.5937425525        -2.556844712         2.057302017    
H         -1.930595809        -2.813231462         2.861287127    
H          2.078606848         1.830883139       -0.7744569977    
    18
Energy=    -6256.51893481985    
O         -1.071757471         1.432605127       -0.8581505496    
O          2.742730974        -1.396720830        0.2336919716    
O          1.725970258        0.9483518743       -0.9696453153    
O         -2.785114006       -0.4487466991        0.3773104775    
O          1.183692954        -2.776105351         2.142321835    
O         -1.631438807        -2.442177202         2.015158612    
H          1.714828206        -2.592477468         2.933166791    
H          3.133464349        -1.827095115       -0.5431431647    
H          2.368857927       -0.5086908592       -0.1714929130    
H         0.6972665769         1.113573928       -0.9439483753    
H         -1.690746041        0.7158817868       -0.4166909856    
H         -1.585482790         2.250142658       -0.7544897884    
H         -2.358795187        -1.141104579         1.031018134    
H         -3.319709926        -1.027165504       -0.1876341340    
H          1.740954461        -2.298538512         1.399521112    
H        -0.5937388594        -2.556841739         2.057311932    
H         -1.930602445        -2.813225381         2.861331277    
H          2.078651810         1.830830421       -0.7743125172    
    18
Energy=    -6256.51957576550    
O         -1.073141593         1.432460935       -0.8618161440    
O          2.743158366        -1.396365081        0.2348058542    
O          1.725166378        0.9475940114       -0.9695371165    
O         -2.784489908       -0.4490261143        0.3763855491    
O          1.183803108        -2.776096240         2.142844492    
O         -1.631277483        -2.442397806         2.014584949    
H          1.714780876        -2.592654151         2.933888209    
H          3.133605024        -1.826738697       -0.5421405598    
H          2.368892615       -0.5084835254       -0.1705698925    
H         0.6964550856         1.113156442       -0.9445400258    
H         -1.691393631        0.7151413439       -0.4201731464    
H         -1.582542582         2.251728629       -0.7453399597    
H         -2.358287954        -1.141470736         1.030075661    
H         -3.321109722        -1.026956565       -0.1871200421    
H          1.741177317        -2.298325228         1.400278432    
H        -0.5935599403        -2.556970642         2.057171902    
H         -1.930676189        -2.812888820         2.860950655    
H          2.078472215         1.830788802       -0.7784244184    
    18
Energy=    -6256.52005139412    
O         -1.073491843         1.432357404       -0.8627241394    
O          2.743385525        -1.396162574        0.2351778212    
O          1.724680690        0.9472901660       -0.9694277151    
O         -2.784151513       -0.4490175591        0.3759035421    
O          1.183845100        -2.776135826         2.143079074    
O         -1.631269116        -2.442533477         2.014419579    
H          1.714778136        -2.592710890         2.934150310    
H          3.133676133        -1.826680985       -0.5417955500    
H          2.368915488       -0.5084826645       -0.1702137794    
H         0.6958394668         1.113397719       -0.9448407690    
H         -1.691656216        0.7146706193       -0.4214708512    
H         -1.581292994         2.252197831       -0.7422780118    
H         -2.358035587        -1.141480720         1.029747963    
H         -3.321630585        -1.026867562       -0.1869436737    
H          1.741246393        -2.298258795         1.400546828    
H        -0.5935290725        -2.557025956         2.057107216    
H         -1.930672457        -2.812779289         2.860818114    
H          2.078394434         1.830719115       -0.7799315596    
    18
Energy=    -6256.52108629636    
O         -1.074408099         1.432236175       -0.8647930301    
O          2.744150130        -1.395675794        0.2362342105    
O          1.723028746        0.9466003119       -0.9691196313    
O         -2.783166046       -0.4490351995        0.3744979039    
O          1.184002802        -2.776252752         2.143700544    
O         -1.631254963        -2.442934466         2.013916453    
H          1.714794727        -2.592856216         2.934897078    
H          3.133864247        -1.826574604       -0.5408218443    
H          2.369000566       -0.5084839543       -0.1692226561    
H         0.6940520317         1.114336828       -0.9457798759    
H         -1.692380110        0.7131584632       -0.4250140069    
H         -1.577703131         2.253309964       -0.7340968553    
H         -2.357331335        -1.141321508         1.028812887    
H         -3.323062549        -1.026590557       -0.1864897697    
H          1.741386266        -2.298135013         1.401353276    
H        -0.5934984379        -2.557201558         2.056916014    
H         -1.930641578        -2.812494053         2.860499061    
H          2.078198717         1.830410489       -0.7841653585    
    18
Energy=    -6256.52163986633    
O         -1.075619918         1.432242496       -0.8673286886    
O          2.744801626        -1.395138313        0.2374519680    
O          1.721634872        0.9462343369       -0.9693004270    
O         -2.782611428       -0.4493354631        0.3731634291    
O          1.184144163        -2.776287167         2.144453084    
O         -1.631056983        -2.443186731         2.013255259    
H          1.714731728        -2.593035718         2.935523119    
H          3.134018158        -1.826403475       -0.5398713197    
H          2.369132799       -0.5086048573       -0.1681900307    
H         0.6925443241         1.114604218       -0.9462790189    
H         -1.692757419        0.7123184674       -0.4280826202    
H         -1.574475029         2.254297101       -0.7257782804    
H         -2.356536460        -1.141291069         1.027781927    
H         -3.324489768        -1.026357008       -0.1861137586    
H          1.741660831        -2.298031620         1.402178772    
H        -0.5936078659        -2.557436564         2.056704836    
H         -1.930646076        -2.812210101         2.860249242    
H          2.078164430         1.830118023       -0.7884930933    
    18
Energy=    -6256.52244341421    
O         -1.076250594         1.432420274       -0.8686462370    
O          2.745425645        -1.394895688        0.2382787212    
O          1.720296600        0.9460341626       -0.9695767086    
O         -2.782143882       -0.4494942596        0.3722422989    
O          1.184234286        -2.776320152         2.144809712    
O         -1.631160780        -2.443394979         2.012891575    
H          1.714788585        -2.593121774         2.936073689    
H          3.134075538        -1.826303412       -0.5391337623    
H          2.369216014       -0.5086958527       -0.1674893566    
H         0.6913387424         1.115067619       -0.9465673624    
H         -1.692995987        0.7117478911       -0.4299363337    
H         -1.572170682         2.254614963       -0.7204493622    
H         -2.355928193        -1.141105475         1.026970208    
H         -3.325550567        -1.026305255       -0.1859998246    
H          1.741832002        -2.298040865         1.402849147    
H        -0.5936342889        -2.557655471         2.056535505    
H         -1.930573081        -2.811977241         2.859998079    
H          2.078232625         1.829922069       -0.7915255901    
    18
Energy=    -6256.52263101989    
O         -1.078968039         1.432960222       -0.8747302622    
O          2.746602403        -1.394202014        0.2406287137    
O          1.718080516        0.9449151098       -0.9700179931    
O         -2.781100268       -0.4501094255        0.3701941752    
O          1.184458331        -2.776329826         2.145879015    
O         -1.630997429        -2.443862565         2.011709999    
H          1.714786887        -2.593444251         2.937598207    
H          3.134264809        -1.825729788       -0.5370132980    
H          2.369462673       -0.5085255248       -0.1655219282    
H         0.6894103557         1.114690217       -0.9475424691    
H         -1.693987686        0.7108890873       -0.4360130630    
H         -1.566259875         2.256355792       -0.7031644695    
H         -2.354807556        -1.141548263         1.024847369    
H         -3.328418484        -1.026110561       -0.1853280249    
H          1.742356489        -2.297827569         1.404564292    
H        -0.5934407867        -2.558095444         2.056142597    
H         -1.930596566        -2.811234758         2.859212281    
H          2.078186210         1.829706117       -0.8001207433    
    18
Energy=    -6256.52341281168    
O         -1.078586530         1.433317428       -0.8737499154    
O          2.746565517        -1.394238975        0.2404798795    
O          1.718261221        0.9452124167       -0.9705099097    
O         -2.781461627       -0.4501138030        0.3703030417    
O          1.184401777        -2.776302561         2.145827508    
O         -1.631029900        -2.443731763         2.011771768    
H          1.714803196        -2.593418818         2.937463386    
H          3.134180898        -1.825819571       -0.5371603762    
H          2.369458263       -0.5086459364       -0.1657116775    
H         0.6895088777         1.114732632       -0.9469931339    
H         -1.693650171        0.7117192079       -0.4345342124    
H         -1.567058476         2.255360513       -0.7054536118    
H         -2.354841408        -1.141509970         1.024802422    
H         -3.328143944        -1.026332067       -0.1855793708    
H          1.742452158        -2.297939125         1.404461054    
H        -0.5935838713        -2.558164591         2.056092507    
H         -1.930573077        -2.811278165         2.859319022    
H          2.078329082         1.829649704       -0.7995039820    
    18
Energy=    -6256.52366362769    
O         -1.079147483         1.433369439       -0.8748770954    
O          2.746741852        -1.393990597        0.2409407534    
O          1.717896694        0.9448755447       -0.9704943051    
O         -2.781217899       -0.4501850038        0.3698174488    
O          1.184478601        -2.776304798         2.146110425    
O         -1.630993625        -2.443843990         2.011562814    
H          1.714764863        -2.593503402         2.937740457    
H          3.134249859        -1.825738990       -0.5367687517    
H          2.369495585       -0.5086067023       -0.1653262549    
H         0.6891012981         1.114750191       -0.9472195339    
H         -1.693871161        0.7115179419       -0.4357999616    
H         -1.565826819         2.255740911       -0.7019944324    
H         -2.354647763        -1.141645141         1.024366538    
H         -3.328678986        -1.026273311       -0.1853853390    
H          1.742561436        -2.297875376         1.404770622    
H        -0.5935251635        -2.558234909         2.056000250    
H         -1.930591110        -2.811121833         2.859149075    
H          2.078241805         1.829566581       -0.8012683118    
    18
Energy=    -6256.52392272625    
O         -1.080322407         1.433650235       -0.8772336004    
O          2.747180188        -1.393511759        0.2419379594    
O          1.717038386        0.9441722752       -0.9705885723    
O         -2.780718846       -0.4503693783        0.3687678771    
O          1.184608209        -2.776308919         2.146665922    
O         -1.630898221        -2.444052819         2.011067119    
H          1.714720142        -2.593680216         2.938417138    
H          3.134358096        -1.825539094       -0.5358343442    
H          2.369547380       -0.5084834276       -0.1645140420    
H         0.6882670918         1.114772141       -0.9475778828    
H         -1.694312026        0.7112293422       -0.4382867350    
H         -1.563181602         2.256367818       -0.6945971869    
H         -2.354228916        -1.141940926         1.023300955    
H         -3.329862830        -1.026221253       -0.1850232409    
H          1.742842419        -2.297753150         1.405477991    
H        -0.5934368016        -2.558412277         2.055771435    
H         -1.930639128        -2.810773797         2.858799752    
H          2.078070849         1.829351761       -0.8052261450    
    18
Energy=    -6256.52420337534    
O         -1.080851158         1.433861644       -0.8781186107    
O          2.747345632        -1.393202387        0.2424088978    
O          1.716625262        0.9436866220       -0.9705839563    
O         -2.780436133       -0.4504451183        0.3681702415    
O          1.184716509        -2.776281354         2.146934650    
O         -1.630859569        -2.444133994         2.010829732    
H          1.714670822        -2.593796522         2.938782423    
H          3.134411175        -1.825450652       -0.5353373944    
H          2.369484213       -0.5083368969       -0.1642009840    
H         0.6879319422         1.114860950       -0.9476234745    
H         -1.694508145        0.7111202433       -0.4392545908    
H         -1.561850506         2.256607934       -0.6911831157    
H         -2.354061475        -1.142148848         1.022621361    
H         -3.330403196        -1.026239199       -0.1848267152    
H          1.743015126        -2.297678107         1.405825619    
H        -0.5933833806        -2.558488144         2.055612469    
H         -1.930696112        -2.810580485         2.858620873    
H          2.077880978         1.829140873       -0.8073530271    
    18
Energy=    -6256.52475066563    
O         -1.082134682         1.434484086       -0.8801651250    
O          2.747788134        -1.392325847        0.2436219436    
O          1.715260739        0.9422756475       -0.9705329010    
O         -2.779567611       -0.4507462987        0.3664230990    
O          1.184881530        -2.776266181         2.147595564    
O         -1.630590905        -2.444295335         2.010029566    
H          1.714580740        -2.594125542         2.939949666    
H          3.134491361        -1.825084417       -0.5337684749    
H          2.369173584       -0.5078854926       -0.1634470120    
H         0.6868454676         1.114976195       -0.9475260019    
H         -1.694991117        0.7107782306       -0.4416885944    
H         -1.558000786         2.257346611       -0.6818696901    
H         -2.353435058        -1.142761391         1.020632094    
H         -3.332010549        -1.026329024       -0.1844214220    
H          1.743628138        -2.297332994         1.406783898    
H        -0.5933871920        -2.558660224         2.055149175    
H         -1.930912452        -2.810041180         2.858174791    
H          2.077412641         1.828489714       -0.8136161767    
    18
Energy=    -6256.52532283979    
O         -1.083044627         1.435161900       -0.8815941161    
O          2.748060206        -1.391530625        0.2448882061    
O          1.714016600        0.9411801986       -0.9706217460    
O         -2.778925359       -0.4512170362        0.3648595309    
O          1.185305128        -2.776068587         2.148160658    
O         -1.630658445        -2.444390173         2.009401514    
H          1.714361200        -2.594483845         2.940814120    
H          3.134582800        -1.824780953       -0.5325019409    
H          2.368802988       -0.5074629125       -0.1629338189    
H         0.6858146288         1.114879918       -0.9471283930    
H         -1.695296528        0.7106637350       -0.4432952604    
H         -1.554744384         2.257860321       -0.6742422621    
H         -2.352758647        -1.143295401         1.018797612    
H         -3.333395170        -1.026420650       -0.1841869495    
H          1.744122430        -2.297090474         1.407752600    
H        -0.5932393991        -2.558837220         2.054729524    
H         -1.931061609        -2.809498175         2.857654912    
H          2.077090170         1.827826536       -0.8192297929    
    18
Energy=    -6256.52578760690    
O         -1.083746167         1.435635821       -0.8828350259    
O          2.748392509        -1.390928895        0.2459317524    
O          1.712778478        0.9404459838       -0.9707965671    
O         -2.778384633       -0.4516571663        0.3635529879    
O          1.185489122        -2.776005734         2.148629685    
O         -1.630589525        -2.444490906         2.008789189    
H          1.714255162        -2.594739945         2.941581949    
H          3.134624848        -1.824464971       -0.5313815986    
H          2.368567630       -0.5072667567       -0.1623933343    
H         0.6846053401         1.114726380       -0.9468606201    
H         -1.695533138        0.7105132629       -0.4448779727    
H         -1.551908419         2.258352192       -0.6676189063    
H         -2.352006586        -1.143637823         1.017419461    
H         -3.334700931        -1.026463737       -0.1841179368    
H          1.744573845        -2.296831961         1.408570579    
H        -0.5932566135        -2.558992712         2.054423416    
H         -1.931156924        -2.809068816         2.857253193    
H          2.077027985         1.827372342       -0.8239458528    
    18
Energy=    -6256.52724012596    
O         -1.084950938         1.437526708       -0.8841135706    
O          2.748850174        -1.388733816        0.2490054458    
O          1.708862177        0.9377520216       -0.9710703706    
O         -2.776625668       -0.4534674456        0.3592292162    
O          1.186059017        -2.775781542         2.149930966    
O         -1.630321657        -2.444683917         2.006681397    
H          1.713739534        -2.595700776         2.944012549    
H          3.134663470        -1.823195372       -0.5276826603    
H          2.367317032       -0.5064474561       -0.1612430667    
H         0.6805286814         1.113468707       -0.9450967389    
H         -1.696144583        0.7105032431       -0.4482360764    
H         -1.543200275         2.259831697       -0.6491066754    
H         -2.349390731        -1.145235597         1.012961769    
H         -3.338724938        -1.026720300       -0.1845200022    
H          1.746202865        -2.295495176         1.411124292    
H        -0.5932120053        -2.559249110         2.053444892    
H         -1.931615284        -2.807502433         2.855788198    
H          2.076995112         1.825627120       -0.8397851649    
    18
Energy=    -6256.52747164977    
O         -1.085391051         1.437855890       -0.8848274986    
O          2.748986857        -1.388379045        0.2496255312    
O          1.708246683        0.9372536646       -0.9711058160    
O         -2.776304445       -0.4537477382        0.3585036490    
O          1.186162903        -2.775751307         2.150206967    
O         -1.630248001        -2.444769197         2.006295726    
H          1.713660058        -2.595858882         2.944452348    
H          3.134699732        -1.822987816       -0.5270355851    
H          2.367194349       -0.5063052375       -0.1608967074    
H         0.6798983917         1.113253705       -0.9450216683    
H         -1.696360708        0.7104603140       -0.4492862790    
H         -1.541570457         2.260173512       -0.6450997173    
H         -2.349024485        -1.145535043         1.012220352    
H         -3.339470486        -1.026728655       -0.1844961484    
H          1.746431617        -2.295292475         1.411603740    
H        -0.5931518273        -2.559308288         2.053291514    
H         -1.931685417        -2.807220313         2.855515579    
H          2.076958270         1.825383468       -0.8426215881    
    18
Energy=    -6256.52842495562    
O         -1.086535984         1.439419858       -0.8860275336    
O          2.748980861        -1.387029061        0.2518273679    
O          1.706475109        0.9351578113       -0.9709188315    
O         -2.775172037       -0.4551132106        0.3559825116    
O          1.186555669        -2.775599543         2.151070909    
O         -1.629796196        -2.445089803         2.004748719    
H          1.713211341        -2.596535803         2.945981828    
H          3.134812889        -1.822020130       -0.5246884264    
H          2.366532691       -0.5055531939       -0.1598852055    
H         0.6778502620         1.111579421       -0.9445163883    
H         -1.697305355        0.7108466123       -0.4525272888    
H         -1.536077807         2.261481181       -0.6316162397    
H         -2.347864826        -1.147210192         1.009721450    
H         -3.341987016        -1.026762446       -0.1847939641    
H          1.747207732        -2.294163240         1.413325981    
H        -0.5926984436        -2.559297206         2.052821250    
H         -1.932059708        -2.805987675         2.854293832    
H          2.076902802         1.824373176       -0.8534755718    
    18
Energy=    -6256.52918054754    
O         -1.086279593         1.439943650       -0.8849241058    
O          2.748561655        -1.386989906        0.2519285977    
O          1.706860436        0.9347174275       -0.9706256131    
O         -2.775184288       -0.4555806328        0.3559975733    
O          1.186519095        -2.775597883         2.151101275    
O         -1.629533371        -2.445242792         2.004436393    
H          1.713024036        -2.596670013         2.945966972    
H          3.134810202        -1.821692415       -0.5245202194    
H          2.366407931       -0.5053256760       -0.1597863626    
H         0.6781305049         1.110521172       -0.9445511189    
H         -1.697709953        0.7113147365       -0.4526373359    
H         -1.536140715         2.261842349       -0.6311923149    
H         -2.348121499        -1.147985836         1.009909462    
H         -3.341906794        -1.026680567       -0.1851904629    
H          1.747061553        -2.293623215         1.413403678    
H        -0.5922545683        -2.559057625         2.052958385    
H         -1.932182894        -2.805649610         2.853916424    
H          2.076970247         1.824253393       -0.8548668277    
    18
Energy=    -6256.52979484153    
O         -1.086388234         1.440762384       -0.8839574794    
O          2.748421817        -1.386664905        0.2527975776    
O          1.706524600        0.9337572029       -0.9707003839    
O         -2.774899057       -0.4562154794        0.3553485150    
O          1.186463917        -2.775518233         2.151284371    
O         -1.629104684        -2.445529673         2.003616151    
H          1.712879591        -2.596906277         2.946453366    
H          3.134899547        -1.821279003       -0.5239101232    
H          2.366222672       -0.5050792781       -0.1591169232    
H         0.6778307923         1.109772425       -0.9444701106    
H         -1.698238493        0.7116648348       -0.4534659100    
H         -1.534729238         2.262489432       -0.6273906682    
H         -2.348186359        -1.148922751         1.009244021    
H         -3.342403425        -1.026692603       -0.1856750080    
H          1.746922385        -2.292975572         1.413963989    
H        -0.5917178869        -2.558942512         2.052976810    
H         -1.932356839        -2.805066725         2.853391207    
H          2.076890877         1.823843291       -0.8590650028    
    18
Energy=    -6256.53080266972    
O         -1.087057319         1.442663050       -0.8831780849    
O          2.748770329        -1.385911910        0.2548259662    
O          1.705033336        0.9317798308       -0.9713441753    
O         -2.774299112       -0.4575268206        0.3532882238    
O          1.186386012        -2.775379781         2.152360189    
O         -1.628356973        -2.446281389         2.001906645    
H          1.712524128        -2.597487198         2.947630128    
H          3.134985558        -1.820277327       -0.5219140141    
H          2.365907796       -0.5046937677       -0.1571924802    
H         0.6767111830         1.108697363       -0.9442442822    
H         -1.699362746        0.7120850942       -0.4558450137    
H         -1.530503562         2.263924653       -0.6161805661    
H         -2.347925835        -1.150760963         1.007141313    
H         -3.343977453        -1.026750329       -0.1864815776    
H          1.746890092        -2.291678108         1.415344364    
H        -0.5906904921        -2.558941042         2.052800416    
H         -1.932610568        -2.803681632         2.852058537    
H          2.076607609         1.822716832       -0.8696511910    
    18
Energy=    -6256.53245471943    
O         -1.087411706         1.444331361       -0.8817137880    
O          2.749424870        -1.385566201        0.2567553290    
O          1.703935111        0.9305155347       -0.9728781645    
O         -2.774219291       -0.4584210803        0.3518493406    
O          1.186082461        -2.775093804         2.153183997    
O         -1.627606769        -2.447050153         2.000379241    
H          1.712434689        -2.597853564         2.948546064    
H          3.135071970        -1.819591561       -0.5206064163    
H          2.365931100       -0.5047744918       -0.1550360612    
H         0.6759336417         1.108524938       -0.9439390441    
H         -1.700062026        0.7126971270       -0.4567921151    
H         -1.527777045         2.264850071       -0.6082030356    
H         -2.348011826        -1.152098444         1.005361477    
H         -3.344897335        -1.027048422       -0.1875756455    
H          1.746401679        -2.290873017         1.416457063    
H        -0.5898200740        -2.559148082         2.052724336    
H         -1.932669608        -2.802534909         2.851032057    
H          2.076292139         1.821631252       -0.8782202364    
    18
Energy=    -6256.53298895511    
O         -1.090198575         1.450461027       -0.8799252510    
O          2.752117646        -1.382950791        0.2648578492    
O          1.697968088        0.9244485596       -0.9777269403    
O         -2.773195055       -0.4624088973        0.3441003893    
O          1.185683555        -2.774008481         2.156766301    
O         -1.625668574        -2.449351514         1.994518536    
H          1.712028651        -2.599531447         2.953272701    
H          3.135301559        -1.816839559       -0.5138584828    
H          2.365384032       -0.5042881639       -0.1479465534    
H         0.6706814811         1.107764281       -0.9421678889    
H         -1.702266047        0.7147018116       -0.4619909467    
H         -1.513357657         2.268273196       -0.5697715873    
H         -2.346312354        -1.156753566        0.9965189877    
H         -3.350342636        -1.027988284       -0.1905635734    
H          1.746424664        -2.288129051         1.421592787    
H        -0.5875736856        -2.560294378         2.051475791    
H         -1.933026841        -2.798138861         2.847056809    
H          2.075383732         1.817530672       -0.9148845279    
    18
Energy=    -6256.53563780305    
O         -1.088787980         1.448866155       -0.8781220319    
O          2.752205169        -1.384412705        0.2625397207    
O          1.700254813        0.9270531198       -0.9784641673    
O         -2.774822484       -0.4608503124        0.3471547985    
O          1.185195392        -2.773985335         2.155972229    
O         -1.626323197        -2.448947610         1.996229109    
H          1.712607825        -2.598749374         2.951522256    
H          3.135089827        -1.817921660       -0.5164793783    
H          2.366283304       -0.5052722027       -0.1490777737    
H         0.6730548739         1.109616047       -0.9424729970    
H         -1.700852592        0.7148759490       -0.4569617197    
H         -1.520217126         2.266567678       -0.5856569611    
H         -2.347596963        -1.154836550        0.9991396431    
H         -3.347418807        -1.028329357       -0.1907954540    
H          1.745596794        -2.289624070         1.419605059    
H        -0.5882906358        -2.560512998         2.051851353    
H         -1.932485984        -2.799452470         2.848353697    
H          2.075539756         1.818412253       -0.9030129833    
    18
Energy=    -6256.53694426715    
O         -1.089315208         1.449350016       -0.8792561447    
O          2.751947829        -1.383348825        0.2632581907    
O          1.699276106        0.9263198645       -0.9777683756    
O         -2.773913009       -0.4611014158        0.3460021700    
O          1.185656036        -2.773928800         2.156374472    
O         -1.626361067        -2.448826008         1.995776178    
H          1.712322310        -2.599093234         2.952225993    
H          3.135123177        -1.817598275       -0.5153004482    
H          2.365807090       -0.5047956250       -0.1492884731    
H         0.6720174257         1.108765178       -0.9420607651    
H         -1.701098308        0.7147915484       -0.4582399641    
H         -1.517480327         2.267044581       -0.5797786357    
H         -2.346686314        -1.155421793        0.9978594639    
H         -3.348959976        -1.028564903       -0.1908026704    
H          1.746442194        -2.289266705         1.420357823    
H        -0.5884938836        -2.560494660         2.051411938    
H         -1.932722520        -2.799065138         2.847964961    
H          2.075470428         1.817730752       -0.9074113143    
    18
Energy=    -6256.53814603820    
O         -1.090096778         1.451545519       -0.8781761060    
O          2.752564908        -1.382002059        0.2659745129    
O          1.697148736        0.9239727052       -0.9789008672    
O         -2.773464522       -0.4625609665        0.3430160705    
O          1.185749136        -2.773478519         2.157619926    
O         -1.625894130        -2.449437607         1.993757704    
H          1.712113627        -2.599758599         2.954020721    
H          3.135138544        -1.816591568       -0.5126391532    
H          2.365377673       -0.5043087939       -0.1474900338    
H         0.6700681598         1.108124003       -0.9411666681    
H         -1.701710407        0.7156538698       -0.4592535783    
H         -1.512349383         2.268199797       -0.5666305694    
H         -2.345780887        -1.157172282        0.9945280743    
H         -3.350978634        -1.029023044       -0.1919750371    
H          1.746899594        -2.288314033         1.422216789    
H        -0.5880239695        -2.560867206         2.050699123    
H         -1.932935601        -2.797498506         2.846546772    
H          2.075205916         1.816013847       -0.9208232814    
    18
Energy=    -6256.53986171413    
O         -1.091054539         1.455160679       -0.8751259155    
O          2.753638679        -1.379952723        0.2702426678    
O          1.694145208        0.9204126013       -0.9809268713    
O         -2.773136468       -0.4648677632        0.3385839839    
O          1.185767351        -2.772680907         2.159715862    
O         -1.625279523        -2.450493428         1.990446281    
H          1.711926018        -2.600727314         2.956773954    
H          3.135107869        -1.815068635       -0.5085266973    
H          2.364940332       -0.5035719483       -0.1446197236    
H         0.6673911578         1.107332563       -0.9399454761    
H         -1.702528127        0.7173787830       -0.4595094729    
H         -1.505287866         2.269922089       -0.5474710322    
H         -2.344719099        -1.159868338        0.9893703227    
H         -3.353618101        -1.029958709       -0.1943990425    
H          1.747475141        -2.286960850         1.425016393    
H        -0.5873397510        -2.561572903         2.049463336    
H         -1.933189743        -2.794974001         2.844313902    
H          2.074793446         1.812987361       -0.9420780719    
    18
Energy=    -6256.54312988330    
O         -1.091488500         1.458573885       -0.8705003662    
O          2.754563978        -1.378018693        0.2738559640    
O          1.691978728        0.9173421968       -0.9826081664    
O         -2.773534283       -0.4668700878        0.3348609355    
O          1.185776135        -2.771839519         2.161602752    
O         -1.625037810        -2.451541883         1.987436092    
H          1.712034760        -2.601423382         2.959191819    
H          3.134992110        -1.813908230       -0.5049051110    
H          2.364951526       -0.5027697240       -0.1424710999    
H         0.6656688475         1.106776807       -0.9393858757    
H         -1.703051174        0.7193446678       -0.4575650555    
H         -1.500701559         2.271299034       -0.5329527238    
H         -2.344200688        -1.162140094        0.9851699984    
H         -3.355011434        -1.031019480       -0.1973342334    
H          1.747990765        -2.286138659         1.427424572    
H        -0.5871726880        -2.562340729         2.047996380    
H         -1.933327022        -2.792709993         2.842381905    
H          2.074600290         1.809880441       -0.9608733883    
    18
Energy=    -6256.54893154845    
O         -1.093125475         1.466172481       -0.8604212367    
O          2.757286925        -1.374075185        0.2822061388    
O          1.687430848        0.9111571127       -0.9868378374    
O         -2.774121107       -0.4711773624        0.3273332385    
O          1.185700777        -2.770219654         2.166487980    
O         -1.624689563        -2.454225609         1.980316428    
H          1.712387337        -2.602832775         2.964367352    
H          3.134807536        -1.811517094       -0.4967746386    
H          2.365590232       -0.5010389218       -0.1370391889    
H         0.6618998941         1.105967442       -0.9391910369    
H         -1.704430324        0.7236875367       -0.4542493795    
H         -1.490724240         2.274547469       -0.4988608758    
H         -2.343770578        -1.166686422        0.9759625028    
H         -3.358124612        -1.033633067       -0.2044334203    
H          1.748966507        -2.284378691         1.432897538    
H        -0.5866797579        -2.564191505         2.044635036    
H         -1.933560011        -2.787646644         2.838182525    
H          2.074187596         1.802587445        -1.003256727    
    18
Energy=    -6256.55345279227    
O         -1.093616946         1.473229335       -0.8475924757    
O          2.759791540        -1.370324305        0.2885438037    
O          1.685179527        0.9076160017       -0.9905977710    
O         -2.777008672       -0.4737302186        0.3222355790    
O          1.185646568        -2.768910568         2.170549847    
O         -1.625445721        -2.457468762         1.974418520    
H          1.713895464        -2.603115480         2.968495347    
H          3.134670023        -1.810830412       -0.4904821357    
H          2.368364435       -0.4995826649       -0.1332511707    
H         0.6614244552         1.106171438       -0.9418091832    
H         -1.705526045        0.7277942565       -0.4461877412    
H         -1.488400402         2.276831096       -0.4770514085    
H         -2.345396895        -1.169580844        0.9706795728    
H         -3.357271498        -1.036492464       -0.2128646840    
H          1.749675250        -2.284394858         1.437573004    
H        -0.5881129385        -2.566165365         2.040476997    
H         -1.933403612        -2.783539805         2.834998492    
H          2.074567449         1.794990175        -1.036810194    
    18
Energy=    -6256.55446069049    
O         -1.093795764         1.473967217       -0.8467619800    
O          2.760054927        -1.369951439        0.2893485541    
O          1.684691202        0.9070713304       -0.9910324783    
O         -2.777005583       -0.4741049262        0.3215091491    
O          1.185661242        -2.768788755         2.170994000    
O         -1.625361145        -2.457776128         1.973738958    
H          1.713907331        -2.603252496         2.968984261    
H          3.134678084        -1.810608910       -0.4897006449    
H          2.368430748       -0.4994410775       -0.1326642959    
H         0.6610357181         1.106070343       -0.9417886722    
H         -1.705736867        0.7281239932       -0.4461585966    
H         -1.487324557         2.277182406       -0.4735023426    
H         -2.345367446        -1.170041109        0.9698500690    
H         -3.357616040        -1.036715475       -0.2135100418    
H          1.749744024        -2.284173217         1.438152507    
H        -0.5880440051        -2.566307915         2.040180113    
H         -1.933442834        -2.783047163         2.834580765    
H          2.074522948         1.794289879        -1.040894925    
    18
Energy=    -6256.55891273155    
O         -1.095482689         1.478785439       -0.8408186664    
O          2.762401464        -1.367966877        0.2948673308    
O          1.681605808        0.9038407021       -0.9946335790    
O         -2.776449111       -0.4766471099        0.3170752374    
O          1.185945342        -2.768279596         2.174405307    
O         -1.624836396        -2.460287854         1.968683579    
H          1.713826299        -2.604154359         2.972057541    
H          3.134825670        -1.809164940       -0.4840851310    
H          2.369031195       -0.4983206320       -0.1282211507    
H         0.6581015671         1.105699637       -0.9417737563    
H         -1.707431843        0.7302855306       -0.4474557812    
H         -1.479775905         2.279843126       -0.4477925924    
H         -2.345868096        -1.172870722        0.9643026466    
H         -3.359861489        -1.038244860       -0.2182312129    
H          1.750050274        -2.282256200         1.442422161    
H        -0.5872919338        -2.567164698         2.038164864    
H         -1.933849153        -2.779632814         2.831806844    
H          2.074090980         1.789032784        -1.069449243    
    18
Energy=    -6256.56088076560    
O         -1.094597206         1.476839605       -0.8428209577    
O          2.761337478        -1.368753571        0.2925315873    
O          1.682670265        0.9051758390       -0.9932139228    
O         -2.776239217       -0.4755792160        0.3189476412    
O          1.186051948        -2.768752613         2.172917408    
O         -1.624959648        -2.459548298         1.970630246    
H          1.713671942        -2.603815514         2.970748243    
H          3.134915790        -1.809827512       -0.4862494838    
H          2.368659600       -0.4986330389       -0.1300765137    
H         0.6590908563         1.105684630       -0.9414495251    
H         -1.707131007        0.7291023416       -0.4479023165    
H         -1.482487764         2.278963472       -0.4576842617    
H         -2.345903106        -1.171808457        0.9667986510    
H         -3.358894118        -1.037510638       -0.2164044360    
H          1.749980189        -2.282523006         1.440986421    
H        -0.5875219724        -2.566540026         2.038989848    
H         -1.933890486        -2.780953867         2.832877523    
H          2.074278439         1.790976427        -1.058301753    
    18
Energy=    -6256.56243660807    
O         -1.094533903         1.479060025       -0.8391882890    
O          2.761739874        -1.367316998        0.2944881638    
O          1.681461611        0.9036269351       -0.9944745596    
O         -2.776616906       -0.4765112742        0.3169708814    
O          1.186310239        -2.768583248         2.173867907    
O         -1.625048081        -2.460609956         1.968797915    
H          1.713790924        -2.604072313         2.972191494    
H          3.135050425        -1.809575575       -0.4840860234    
H          2.368953551       -0.4980225973       -0.1291464098    
H         0.6584657250         1.105354124       -0.9409502129    
H         -1.707744299        0.7301696900       -0.4465586854    
H         -1.480594129         2.279710450       -0.4496889697    
H         -2.346187397        -1.173051723        0.9649233021    
H         -3.358916119        -1.038157945       -0.2186131685    
H          1.750533651        -2.281782265         1.442755641    
H        -0.5877997744        -2.566826110         2.037786575    
H         -1.934155005        -2.779600976         2.831773106    
H          2.074321596         1.788686313        -1.069524268    
    18
Energy=    -6256.56640558408    
O         -1.094589937         1.481050494       -0.8356942307    
O          2.762152830        -1.365808677        0.2960281081    
O          1.680496773        0.9024883165       -0.9964265340    
O         -2.776929306       -0.4770757991        0.3153749588    
O          1.187105498        -2.768881671         2.174608751    
O         -1.625556895        -2.462045086         1.967006748    
H          1.713761554        -2.604193598         2.973550828    
H          3.135425805        -1.809859965       -0.4817708593    
H          2.369351398       -0.4971926743       -0.1287988033    
H         0.6580493570         1.105273131       -0.9395236559    
H         -1.708467358        0.7311970458       -0.4458011468    
H         -1.479281132         2.280131529       -0.4419094386    
H         -2.347129019        -1.173916820        0.9635573137    
H         -3.358102802        -1.038723505       -0.2208699854    
H          1.751576051        -2.280628852         1.444921360    
H        -0.5884593832        -2.566912193         2.036265637    
H         -1.934740712        -2.778417984         2.830923250    
H          2.074369262         1.786012863        -1.080117902    
    18
Energy=    -6256.57264446483    
O         -1.095226489         1.489397446       -0.8208360330    
O          2.764770954        -1.360361023        0.3033224848    
O          1.676276801        0.8968515362        -1.003968974    
O         -2.778136772       -0.4800105062        0.3086636293    
O          1.189632256        -2.768801559         2.178744713    
O         -1.627122402        -2.467176819         1.959143019    
H          1.713557138        -2.605092974         2.979181823    
H          3.136328178        -1.809824274       -0.4718701059    
H          2.370895448       -0.4943195879       -0.1262743742    
H         0.6554630811         1.105689617       -0.9350080117    
H         -1.710671145        0.7357135682       -0.4415880001    
H         -1.472635748         2.282285243       -0.4086568962    
H         -2.349884488        -1.177594867        0.9565133169    
H         -3.356431898        -1.041561419       -0.2307108099    
H          1.754904917        -2.276746470         1.452879048    
H        -0.5904990040        -2.568171388         2.030677255    
H         -1.936433323        -2.773276292         2.827019413    
H          2.074244480         1.775496326        -1.125907100    
    18
Energy=    -6256.57566759524    
O         -1.095920684         1.489768700       -0.8215558323    
O          2.765287870        -1.359502646        0.3035872790    
O          1.676262977        0.8971964226        -1.006408622    
O         -2.778630951       -0.4794365227        0.3092740381    
O          1.190410428        -2.769217870         2.178703207    
O         -1.628299172        -2.468105593         1.958745853    
H          1.713115340        -2.604988721         2.980058777    
H          3.136925450        -1.810885950       -0.4707609257    
H          2.371569959       -0.4944302436       -0.1275361596    
H         0.6561108318         1.107120562       -0.9326972586    
H         -1.710764434        0.7356186768       -0.4428121770    
H         -1.473044950         2.281514963       -0.4051311670    
H         -2.350976305        -1.176803789        0.9571607110    
H         -3.354639059        -1.041548112       -0.2317939645    
H          1.756359693        -2.275710676         1.453522981    
H        -0.5914822066        -2.568639590         2.030025741    
H         -1.936913232        -2.773314981         2.826926451    
H          2.073660428         1.773861928        -1.127984531    
    18
Energy=    -6256.57772586554    
O         -1.096082327         1.490855205       -0.8193343276    
O          2.765804890        -1.359020015        0.3046052531    
O          1.675893232        0.8962684718        -1.006894719    
O         -2.779049330       -0.4799012393        0.3085443546    
O          1.190464251        -2.768569393         2.179417043    
O         -1.628286554        -2.468458105         1.957697584    
H          1.713088236        -2.605197286         2.980724891    
H          3.136797952        -1.810520715       -0.4694532289    
H          2.371872201       -0.4942485856       -0.1270970293    
H         0.6559385830         1.107254961       -0.9329831367    
H         -1.710725828        0.7363847073       -0.4414562886    
H         -1.472431320         2.281887997       -0.4014436229    
H         -2.351039558        -1.177351516        0.9561793641    
H         -3.354642044        -1.042064102       -0.2333437559    
H          1.756378780        -2.275712398         1.454123394    
H        -0.5916362266        -2.569163867         2.029527974    
H         -1.936872692        -2.772642096         2.826322757    
H          2.073559737         1.772694532        -1.133812108    
    18
Energy=    -6256.57938651108    
O         -1.096392423         1.492971954       -0.8156085082    
O          2.766789848        -1.357831882        0.3066892228    
O          1.675062214        0.8947600898        -1.008409909    
O         -2.779881269       -0.4807191436        0.3074048726    
O          1.190532583        -2.767553932         2.180605431    
O         -1.628441584        -2.469410105         1.955718947    
H          1.712849457        -2.605574920         2.982249454    
H          3.136864748        -1.810178094       -0.4669411839    
H          2.372522942       -0.4940503987       -0.1266260773    
H         0.6556771665         1.107755999       -0.9328094635    
H         -1.710855854        0.7374922412       -0.4398631887    
H         -1.471142710         2.282483506       -0.3934345658    
H         -2.351387222        -1.178184988        0.9547240479    
H         -3.354156943        -1.042810607       -0.2364043973    
H          1.756802393        -2.275150646         1.455308405    
H        -0.5920085673        -2.570216048         2.028625515    
H         -1.936966643        -2.771408310         2.825075962    
H          2.073163847         1.770121840        -1.144980166    
    18
Energy=    -6256.58073812166    
O         -1.096147431         1.493573600       -0.8135667309    
O          2.767196113        -1.357317447        0.3071778087    
O          1.674972073        0.8941585917        -1.008880017    
O         -2.780538707       -0.4808564410        0.3078419869    
O          1.190418718        -2.766439912         2.180699839    
O         -1.628484154        -2.469748569         1.955034231    
H          1.712171009        -2.605850250         2.982853713    
H          3.137077698        -1.810207462       -0.4658352818    
H          2.372795577       -0.4942394543       -0.1275822273    
H         0.6559367465         1.108293079       -0.9324151037    
H         -1.710679614        0.7377402273       -0.4391370224    
H         -1.471469075         2.282449228       -0.3917856290    
H         -2.351666970        -1.178260029        0.9551385218    
H         -3.352901007        -1.042896874       -0.2382847875    
H          1.757039717        -2.274573356         1.455282824    
H        -0.5922175693        -2.571087577         2.028638565    
H         -1.937150505        -2.771173389         2.824495114    
H          2.072679363         1.768932590        -1.148351405    
    18
Energy=    -6256.58231791385    
O         -1.096232649         1.496651161       -0.8083987313    
O          2.768497125        -1.355066875        0.3101779542    
O          1.673359472        0.8920643181        -1.011415069    
O         -2.781635874       -0.4819637725        0.3063256410    
O          1.190230750        -2.764758375         2.181922376    
O         -1.628563052        -2.471457796         1.952189823    
H          1.711205446        -2.606538928         2.985322602    
H          3.137762155        -1.810143522       -0.4619479202    
H          2.373401166       -0.4939848433       -0.1275428739    
H         0.6552836398         1.108792569       -0.9310508285    
H         -1.711109462        0.7391051751       -0.4379424112    
H         -1.469030779         2.283129745       -0.3786393380    
H         -2.352373796        -1.179572329        0.9533657552    
H         -3.351335973        -1.043599614       -0.2428761271    
H          1.758028584        -2.272688578         1.457257690    
H        -0.5924589009        -2.572703562         2.027494344    
H         -1.937800292        -2.769444683         2.822441977    
H          2.071804424         1.764676466        -1.165360465    
    18
Energy=    -6256.58390557147    
O         -1.095739091         1.496513919       -0.8079640832    
O          2.768517576        -1.354668956        0.3099427009    
O          1.673108806        0.8920228243        -1.011472167    
O         -2.781686097       -0.4817728460        0.3068385682    
O          1.189767429        -2.764011936         2.181433619    
O         -1.628376771        -2.471652124         1.952253263    
H          1.710357020        -2.606744386         2.985420368    
H          3.138345105        -1.810547725       -0.4616391300    
H          2.373058054       -0.4940756938       -0.1285486767    
H         0.6551054392         1.108760012       -0.9301951268    
H         -1.710996667        0.7389160516       -0.4381534574    
H         -1.468988946         2.282848310       -0.3784035071    
H         -2.352570794        -1.179542368        0.9538543311    
H         -3.350057544        -1.043315571       -0.2434324858    
H          1.758223945        -2.271701879         1.457207692    
H        -0.5921345313        -2.573065588         2.027785382    
H         -1.938300814        -2.769633966         2.822186262    
H          2.071399865         1.764168480        -1.165789154    
    18
Energy=    -6256.58584314617    
O         -1.095064353         1.497488986       -0.8049677111    
O          2.769090830        -1.353204126        0.3105550351    
O          1.671944661        0.8911282687        -1.012537367    
O         -2.781889801       -0.4817637055        0.3065806235    
O          1.189002074        -2.762437385         2.181240028    
O         -1.628184290        -2.472722256         1.951190915    
H          1.708793040        -2.607241393         2.986293326    
H          3.139614133        -1.811252050       -0.4596159034    
H          2.372609648       -0.4937662155       -0.1295879724    
H         0.6541609895         1.108597032       -0.9284018978    
H         -1.710903535        0.7393189324       -0.4371899972    
H         -1.467720298         2.282723069       -0.3728516941    
H         -2.353232862        -1.180116986        0.9532405156    
H         -3.347529683        -1.043387319       -0.2458597040    
H          1.758778665        -2.269396026         1.458387985    
H        -0.5915993807        -2.573895547         2.027455104    
H         -1.939474357        -2.769255849         2.821149309    
H          2.070636503         1.761679127        -1.173756195    
    18
Energy=    -6256.58769246655    
O         -1.094834291         1.498345069       -0.8021607845    
O          2.769917182        -1.352179282        0.3112915873    
O          1.670799236        0.8902330682        -1.013233905    
O         -2.782003309       -0.4817573304        0.3063528006    
O          1.187851582        -2.760621815         2.181294320    
O         -1.627917247        -2.473710364         1.950280298    
H          1.707299919        -2.607631243         2.986906003    
H          3.140954576        -1.811791988       -0.4578384864    
H          2.372467632       -0.4935050730       -0.1300469230    
H         0.6531516234         1.108382812       -0.9278507481    
H         -1.710414550        0.7397859404       -0.4349356127    
H         -1.466451707         2.282680331       -0.3674929404    
H         -2.353614949        -1.180553858        0.9522877718    
H         -3.345056083        -1.043701485       -0.2483839905    
H          1.758706845        -2.267238402         1.459324457    
H        -0.5912235625        -2.574597749         2.027157782    
H         -1.940370314        -2.769026913         2.819941682    
H          2.069769400         1.759384840        -1.181568913    
    18
Energy=    -6256.58805996087    
O         -1.094791990         1.500999536       -0.7952012052    
O          2.772039277        -1.349725208        0.3131554396    
O          1.668181241        0.8879912118        -1.015496838    
O         -2.782587754       -0.4816412543        0.3049637746    
O          1.185765560        -2.756562972         2.181511186    
O         -1.628325549        -2.476071098         1.946694283    
H          1.704269741        -2.608319880         2.988748423    
H          3.143863355        -1.812584737       -0.4530126590    
H          2.373091828       -0.4933199002       -0.1299678300    
H         0.6507727326         1.108102253       -0.9271743956    
H         -1.709534051        0.7409219887       -0.4289882613    
H         -1.463135389         2.282945445       -0.3528102528    
H         -2.354226985        -1.181993291        0.9500971396    
H         -3.339438021        -1.044738700       -0.2548524348    
H          1.758132366        -2.262367249         1.462027140    
H        -0.5903538269        -2.576011985         2.026228569    
H         -1.942309479        -2.768544643         2.817634088    
H          2.067618928         1.753417041        -1.202231767    
    18
Energy=    -6256.59048563780    
O         -1.095038570         1.500228426       -0.7965350652    
O          2.771659084        -1.350591221        0.3128573477    
O          1.668713114        0.8884647644        -1.014704049    
O         -2.782123681       -0.4817597064        0.3054347633    
O          1.186009669        -2.757453861         2.181583309    
O         -1.628337886        -2.475626784         1.947732561    
H          1.704869460        -2.608018176         2.988103118    
H          3.143482997        -1.812429219       -0.4543355248    
H          2.373167501       -0.4932235264       -0.1299332974    
H         0.6510853233         1.108050800       -0.9279756110    
H         -1.709491322        0.7404975203       -0.4292438303    
H         -1.463835834         2.282957412       -0.3565539635    
H         -2.353916600        -1.181401993        0.9505133056    
H         -3.340343403        -1.044604533       -0.2536139442    
H          1.757958269        -2.263150253         1.461252922    
H        -0.5910370488        -2.575323634         2.026312406    
H         -1.941772827        -2.768873634         2.817922013    
H          2.067983736         1.754754174        -1.197492062    
    18
Energy=    -6256.59125008725    
O         -1.095362180         1.500350274       -0.7963278104    
O          2.771737819        -1.350735327        0.3131286637    
O          1.668676948        0.8883556592        -1.014800301    
O         -2.781985007       -0.4819102848        0.3053684948    
O          1.186102708        -2.757538804         2.181715609    
O         -1.628623877        -2.475764895         1.947560912    
H          1.704935390        -2.607867672         2.988143854    
H          3.143594022        -1.812308335       -0.4542735726    
H          2.373591160       -0.4932137906       -0.1297012921    
H         0.6510733064         1.108009940       -0.9284030372    
H         -1.709513679        0.7405072412       -0.4286802360    
H         -1.463674347         2.283064573       -0.3558943656    
H         -2.353797324        -1.181364465        0.9505438294    
H         -3.340153140        -1.044703197       -0.2539485490    
H          1.757780295        -2.262961356         1.461287244    
H        -0.5915514354        -2.575007385         2.026109971    
H         -1.941656017        -2.768959791         2.817773588    
H          2.067857341         1.754544171        -1.198278604    
    18
Energy=    -6256.59281048917    
O         -1.095862464         1.501017499       -0.7942903537    
O          2.772273047        -1.350592730        0.3140587265    
O          1.667990862        0.8875337383        -1.015563530    
O         -2.781536035       -0.4822463314        0.3051650924    
O          1.185764574        -2.756747011         2.181820831    
O         -1.629584362        -2.476583825         1.946438978    
H          1.704247144        -2.607569948         2.988561808    
H          3.144690482        -1.812143004       -0.4532199832    
H          2.374730002       -0.4932528269       -0.1293791183    
H         0.6505632490         1.107778556       -0.9288808966    
H         -1.709601157        0.7407270658       -0.4263159684    
H         -1.462449620         2.283241641       -0.3516477145    
H         -2.353607525        -1.181693961        0.9505947024    
H         -3.337969480        -1.044977230       -0.2561273556    
H          1.757196180        -2.261084180         1.461737450    
H        -0.5926663362        -2.574300120         2.025508044    
H         -1.941942058        -2.769354726         2.816935962    
H          2.066795481         1.752743950        -1.204072276    
    18
Energy=    -6256.59476003854    
O         -1.096109823         1.502257889       -0.7904903672    
O          2.773424257        -1.349611565        0.3156364998    
O          1.666503708        0.8858521973        -1.017432055    
O         -2.780819095       -0.4827503078        0.3047916914    
O          1.184758558        -2.754455140         2.181900503    
O         -1.630966147        -2.477904012         1.944672974    
H          1.702775405        -2.607156966         2.989323663    
H          3.146634119        -1.811837644       -0.4508790945    
H          2.375917951       -0.4932319003       -0.1292095906    
H         0.6495560867         1.107193545       -0.9281952430    
H         -1.710026665        0.7414403362       -0.4233661069    
H         -1.459589534         2.283460126       -0.3431490151    
H         -2.353408996        -1.182852624        0.9504243873    
H         -3.333863172        -1.045337725       -0.2598479644    
H          1.756702542        -2.258162568         1.462774359    
H        -0.5941379012        -2.573563346         2.024257829    
H         -1.942981035        -2.770076325         2.815451236    
H          2.064661727         1.749232585        -1.215339308    
    18
Energy=    -6256.59709529508    
O         -1.095841943         1.504132842       -0.7836109583    
O          2.775636606        -1.347934417        0.3181145154    
O          1.664114020        0.8827243359        -1.020371986    
O         -2.779324922       -0.4836046984        0.3047990482    
O          1.181845838        -2.749713003         2.181943191    
O         -1.633756575        -2.479837465         1.941858990    
H          1.700178901        -2.606067186         2.990134963    
H          3.150267479        -1.811049769       -0.4474246117    
H          2.377609844       -0.4932618989       -0.1289079260    
H         0.6477668655         1.105736614       -0.9269243785    
H         -1.710878302        0.7426622236       -0.4180541552    
H         -1.454473860         2.283847080       -0.3304129833    
H         -2.352947328        -1.185109985        0.9504577167    
H         -3.325975655        -1.045885720       -0.2661286549    
H          1.755601801        -2.253287655         1.463713885    
H        -0.5962103472        -2.572164668         2.022350061    
H         -1.945031880        -2.772143012         2.813191986    
H          2.060451442         1.743452938        -1.233404304    
    18
Energy=    -6256.59834359438    
O         -1.095635137         1.504047514       -0.7826347951    
O          2.776716447        -1.347298782        0.3183301207    
O          1.663348863        0.8816316640        -1.021520039    
O         -2.778274238       -0.4835440069        0.3054379406    
O          1.180281449        -2.746861055         2.181461800    
O         -1.635251921        -2.480168102         1.941794694    
H          1.699084860        -2.604930902         2.989570071    
H          3.151939271        -1.810388116       -0.4466427713    
H          2.378007030       -0.4933074950       -0.1290086898    
H         0.6472986621         1.104499852       -0.9259372900    
H         -1.711298512        0.7432035098       -0.4169984495    
H         -1.451861803         2.283666913       -0.3270214483    
H         -2.352443508        -1.186084822        0.9512392483    
H         -3.322096648        -1.045888458       -0.2675909852    
H          1.755017313        -2.252207556         1.463466508    
H        -0.5977116476        -2.571158712         2.021551549    
H         -1.946164266        -2.774388876         2.812816648    
H          2.058075768         1.741673986        -1.236989714    
    18
Energy=    -6256.59861018417    
O         -1.095245508         1.506913100       -0.7762667609    
O          2.778817092        -1.344586080        0.3210221190    
O          1.661300148        0.8787895813        -1.024731818    
O         -2.778411069       -0.4843763877        0.3042660534    
O          1.178933771        -2.743464033         2.182437801    
O         -1.636521898        -2.482170802         1.939217110    
H          1.697598620        -2.604553703         2.991161322    
H          3.153818109        -1.810040457       -0.4424879745    
H          2.378486931       -0.4925528278       -0.1288810011    
H         0.6460788654         1.103826071       -0.9237141997    
H         -1.711888912        0.7451538871       -0.4144465730    
H         -1.447822903         2.284150671       -0.3131338199    
H         -2.353170820        -1.187950344        0.9495408609    
H         -3.317777685        -1.046839680       -0.2727885081    
H          1.755693207        -2.249875355         1.465455196    
H        -0.5988940250        -2.571828383         2.019582170    
H         -1.947802625        -2.774460234         2.810880019    
H          2.055840684         1.736361533        -1.255787598    
    18
Energy=    -6256.59978827160    
O         -1.095028683         1.505371289       -0.7798680102    
O          2.777931064        -1.345844179        0.3193949574    
O          1.662602044        0.8802542114        -1.022909989    
O         -2.778477981       -0.4838482346        0.3051139926    
O          1.179223207        -2.744994009         2.182034632    
O         -1.635903755        -2.480942627         1.941082730    
H          1.698700762        -2.604384674         2.989954699    
H          3.152648723        -1.810052149       -0.4451016274    
H          2.377794315       -0.4927814231       -0.1288925019    
H         0.6468359873         1.103934146       -0.9247964345    
H         -1.711544346        0.7442451572       -0.4164865509    
H         -1.449946116         2.283903558       -0.3217742781    
H         -2.353002191        -1.186868558        0.9504099994    
H         -3.320299500        -1.046405203       -0.2695102547    
H          1.755500322        -2.252037689         1.463948389    
H        -0.5980685927        -2.571762110         2.020779958    
H         -1.946998454        -2.774867249         2.812274517    
H          2.057065177         1.739576301        -1.244329829    
    18
Energy=    -6256.60016235776    
O         -1.095061436         1.505316515       -0.7804036430    
O          2.778069078        -1.345895201        0.3193210808    
O          1.662715256        0.8803138506        -1.022742451    
O         -2.778435758       -0.4837832367        0.3051727174    
O          1.179075480        -2.744943635         2.182076421    
O         -1.636080102        -2.480888069         1.941405837    
H          1.698941525        -2.604031320         2.989696658    
H          3.152607179        -1.809861808       -0.4454308581    
H          2.377799779       -0.4927217461       -0.1286717914    
H         0.6468431084         1.103702448       -0.9251769819    
H         -1.711492671        0.7442393804       -0.4168135542    
H         -1.449752816         2.283929611       -0.3222133993    
H         -2.352982286        -1.186705485        0.9504893904    
H         -3.320499860        -1.046473077       -0.2691564342    
H          1.755417678        -2.252524248         1.463664540    
H        -0.5982365332        -2.571719792         2.020866776    
H         -1.946938923        -2.775291237         2.812487167    
H          2.057043285         1.739833607        -1.243247076    
    18
Energy=    -6256.60151810821    
O         -1.095049661         1.505768295       -0.7811546380    
O          2.779006760        -1.345612301        0.3195328184    
O          1.662690971        0.8798589346        -1.022726366    
O         -2.778244192       -0.4836634001        0.3050160787    
O          1.178561916        -2.744238786         2.182254253    
O         -1.637275075        -2.481409303         1.942204365    
H          1.699543033        -2.602176335         2.988912134    
H          3.152986496        -1.808852493       -0.4459293595    
H          2.378161631       -0.4922790463       -0.1277606381    
H         0.6464862632         1.102465700       -0.9263400058    
H         -1.711301581        0.7446573434       -0.4175734910    
H         -1.447929106         2.284108725       -0.3210391361    
H         -2.353231211        -1.186143390        0.9507091784    
H         -3.320296023        -1.047018330       -0.2689292089    
H          1.755102548        -2.253613171         1.462915696    
H        -0.5995505151        -2.571546874         2.020981726    
H         -1.947107647        -2.777407336         2.813038047    
H          2.056477376         1.739598323        -1.242787055    
    18
Energy=    -6256.60299050686    
O         -1.094690168         1.506736557       -0.7806474501    
O          2.780178999        -1.344830901        0.3201344023    
O          1.662040972        0.8786059303        -1.023251647    
O         -2.778104220       -0.4835988491        0.3045524459    
O          1.177921963        -2.742776934         2.182113591    
O         -1.638669782        -2.482676700         1.942631495    
H          1.699226422        -2.599991181         2.988430149    
H          3.154211320        -1.807658487       -0.4455580090    
H          2.378703598       -0.4918285032       -0.1272319033    
H         0.6457661080         1.101096987       -0.9268310213    
H         -1.710876743        0.7454455392       -0.4176164995    
H         -1.444957923         2.284223968       -0.3168963151    
H         -2.353882436        -1.185629914        0.9508913507    
H         -3.318770999        -1.047705837       -0.2700362791    
H          1.754711484        -2.253002532         1.462415064    
H        -0.6010104023        -2.571721064         2.021304183    
H         -1.947933858        -2.780072599         2.813136680    
H          2.055167647         1.737881076        -1.246215838    
    18
Energy=    -6256.60568364670    
O         -1.093434450         1.509323681       -0.7779238474    
O          2.782634103        -1.342869140        0.3218171945    
O          1.660199504        0.8750749258        -1.025551681    
O         -2.778025305       -0.4838449126        0.3031230885    
O          1.176687163        -2.739347624         2.181388611    
O         -1.641410673        -2.485413579         1.943517895    
H          1.697423410        -2.594707889         2.987638522    
H          3.157684562        -1.804916037       -0.4439033451    
H          2.379929603       -0.4909956189       -0.1264960804    
H         0.6441835959         1.098963469       -0.9266945409    
H         -1.710043434        0.7474976098       -0.4168816189    
H         -1.437648445         2.284446521       -0.3055196937    
H         -2.355684322        -1.185028339        0.9511903511    
H         -3.315051893        -1.049138843       -0.2738487104    
H          1.753893613        -2.249639588         1.461958960    
H        -0.6038697120        -2.572992735         2.022198962    
H         -1.950602675        -2.786459821         2.812795255    
H          2.052167337         1.732544477        -1.257484923    
    18
Energy=    -6256.60640886073    
O         -1.093083892         1.511255447       -0.7740863654    
O          2.784182974        -1.340539594        0.3230722054    
O          1.658516318        0.8720419200        -1.027557552    
O         -2.778003015       -0.4846430804        0.3016334631    
O          1.176270484        -2.736447057         2.180517882    
O         -1.643816941        -2.487081210         1.944077623    
H          1.694919359        -2.590220152         2.988052808    
H          3.160989936        -1.802928080       -0.4414230239    
H          2.380695598       -0.4900967230       -0.1271461736    
H         0.6433846089         1.097052914       -0.9262883934    
H         -1.709173944        0.7493753826       -0.4148888629    
H         -1.431654854         2.284822306       -0.2950450484    
H         -2.357224906        -1.185245154        0.9506642877    
H         -3.311832653        -1.050014359       -0.2774280714    
H          1.753704031        -2.246128955         1.461531105    
H        -0.6061850589        -2.573932307         2.022889008    
H         -1.953264368        -2.792046967         2.811920718    
H          2.050608306         1.727272226        -1.269171210    
    18
Energy=    -6256.60736809475    
O         -1.092652311         1.511657102       -0.7730942614    
O          2.784426762        -1.340543391        0.3234038184    
O          1.658281444        0.8717160019        -1.028421318    
O         -2.778042053       -0.4845924748        0.3016450477    
O          1.176096334        -2.736115121         2.180468796    
O         -1.643531405        -2.487330011         1.943783023    
H          1.694326527        -2.590171582         2.988092338    
H          3.161459212        -1.803023066       -0.4409923147    
H          2.380817747       -0.4902876689       -0.1271066705    
H         0.6431556822         1.097720453       -0.9257392245    
H         -1.709474057        0.7493889767       -0.4144394168    
H         -1.431345480         2.284680404       -0.2935978431    
H         -2.357444437        -1.185569563        0.9507286488    
H         -3.311202747        -1.050053282       -0.2783798225    
H          1.753507554        -2.245147589         1.461931886    
H        -0.6060242130        -2.574179683         2.022907637    
H         -1.953622783        -2.792118308         2.811576167    
H          2.050300208         1.726465358        -1.271442093    
    18
Energy=    -6256.60773564918    
O         -1.092590334         1.511812954       -0.7724627726    
O          2.784410970        -1.340442282        0.3235359367    
O          1.658216909        0.8715646274        -1.028974022    
O         -2.778090678       -0.4847359370        0.3015624822    
O          1.176140119        -2.736027978         2.180368904    
O         -1.643332366        -2.487176872         1.943731834    
H          1.693727680        -2.589965542         2.988320466    
H          3.161831866        -1.803123766       -0.4405637072    
H          2.380832922       -0.4903774176       -0.1273684572    
H         0.6432436125         1.098233928       -0.9254943590    
H         -1.709699254        0.7494741590       -0.4139794950    
H         -1.431186087         2.284538185       -0.2925599828    
H         -2.357562041        -1.185978099        0.9505805780    
H         -3.311095982        -1.049959950       -0.2788529322    
H          1.753517672        -2.244511762         1.462122388    
H        -0.6058586718        -2.574305350         2.022984818    
H         -1.953939316        -2.792390007         2.811250068    
H          2.050464963         1.725867667        -1.272877348    
    18
Energy=    -6256.60842422984    
O         -1.092565707         1.512455555       -0.7707121582    
O          2.784721209        -1.339814946        0.3240351441    
O          1.657907740        0.8709107755        -1.030351669    
O         -2.778155658       -0.4852374935        0.3011192922    
O          1.176002306        -2.735448435         2.180201712    
O         -1.643395836        -2.487024360         1.943816501    
H          1.692283507        -2.588581741         2.988765043    
H          3.163036176        -1.802955938       -0.4393581390    
H          2.380962845       -0.4903404108       -0.1278349340    
H         0.6433269706         1.098891458       -0.9254206211    
H         -1.710108762        0.7499324257       -0.4129402460    
H         -1.429795833         2.284353389       -0.2886632575    
H         -2.357914855        -1.186905554        0.9500537046    
H         -3.310801621        -1.049931850       -0.2801334398    
H          1.753554555        -2.243301113         1.462431049    
H        -0.6059112337        -2.574460009         2.023214515    
H         -1.954900004        -2.794025700         2.810466773    
H          2.050786186         1.723980505        -1.277364872    
    18
Energy=    -6256.60971277808    
O         -1.092622173         1.513717573       -0.7679409659    
O          2.785433863        -1.338534930        0.3249339875    
O          1.657456729        0.8697307056        -1.032816061    
O         -2.778267606       -0.4862589787        0.3000987448    
O          1.175580768        -2.734456742         2.179980739    
O         -1.643878082        -2.486879211         1.944385968    
H          1.689770330        -2.584919257         2.989271800    
H          3.165345354        -1.802216008       -0.4373293061    
H          2.381223659       -0.4900939837       -0.1285017787    
H         0.6435193674         1.099699200       -0.9261018791    
H         -1.710676830        0.7508384975       -0.4116042551    
H         -1.426566005         2.284009384       -0.2811956900    
H         -2.358511706        -1.188353849        0.9490101714    
H         -3.311042307        -1.050032426       -0.2819343922    
H          1.753616468        -2.242081673         1.462760380    
H        -0.6063481249        -2.574153383         2.023940821    
H         -1.956607179        -2.798201249         2.809164814    
H          2.051605459         1.720682888        -1.284798701    
    18
Energy=    -6256.61159757486    
O         -1.092240798         1.515964860       -0.7634684621    
O          2.786638744        -1.336368106        0.3264307299    
O          1.656625624        0.8678064892        -1.037061463    
O         -2.778337428       -0.4875947512        0.2983016152    
O          1.174509917        -2.732332207         2.179874695    
O         -1.645031283        -2.487093576         1.945212319    
H          1.685293225        -2.577632366         2.990316166    
H          3.169657952        -1.800611573       -0.4339440408    
H          2.381554097       -0.4896980708       -0.1293804786    
H         0.6435435111         1.100104406       -0.9276175578    
H         -1.710809794        0.7521644248       -0.4099825222    
H         -1.420398206         2.283099461       -0.2678519302    
H         -2.359655489        -1.190274656        0.9471894143    
H         -3.311549701        -1.050571138       -0.2841625514    
H          1.753191575        -2.240888517         1.462526999    
H        -0.6073393776        -2.572594546         2.025510559    
H         -1.959074090        -2.806534090         2.806622376    
H          2.052453503         1.715550513        -1.297191470    
    18
Energy=    -6256.61193880887    
O         -1.091438902         1.517430417       -0.7601906982    
O          2.785940451        -1.334723855        0.3268105852    
O          1.657339188        0.8662212237        -1.040464149    
O         -2.778449582       -0.4893328847        0.2961608657    
O          1.172688499        -2.731526489         2.180191544    
O         -1.646009881        -2.485643460         1.946768258    
H          1.680071238        -2.566791209         2.990453200    
H          3.174565606        -1.798869392       -0.4305495617    
H          2.381251813       -0.4889517028       -0.1321567840    
H         0.6447829630         1.100733510       -0.9308166541    
H         -1.709853687        0.7525780551       -0.4097441873    
H         -1.414409504         2.280653793       -0.2552283936    
H         -2.359798911        -1.190994490        0.9464668322    
H         -3.315691997        -1.050790402       -0.2840539748    
H          1.753545985        -2.241803149         1.463788049    
H        -0.6078911430        -2.569452277         2.026618156    
H         -1.961140593        -2.818118868         2.803102199    
H          2.053530440         1.711877737        -1.305830888    
    18
Energy=    -6256.61411284425    
O         -1.091139581         1.517810271       -0.7594720429    
O          2.786528757        -1.334662125        0.3272991726    
O          1.656715628        0.8662207936        -1.041482343    
O         -2.778394120       -0.4888659974        0.2962097977    
O          1.172699395        -2.730672854         2.180473229    
O         -1.646266051        -2.486220351         1.946419719    
H          1.679864372        -2.566328267         2.991107145    
H          3.174976436        -1.798516747       -0.4304643916    
H          2.381454349       -0.4894390910       -0.1311454504    
H         0.6443700546         1.099982686       -0.9304781257    
H         -1.709438620        0.7527077854       -0.4096767146    
H         -1.413558144         2.280655738       -0.2537802277    
H         -2.360401103        -1.190883906        0.9459612975    
H         -3.314755063        -1.051258619       -0.2841898660    
H          1.752570608        -2.241644256         1.462707084    
H        -0.6082666457        -2.569394784         2.026845905    
H         -1.960934196        -2.818706381         2.802707607    
H          2.053005906         1.711712661        -1.307717396    
    18
Energy=    -6256.61487132520    
O         -1.090542910         1.518180451       -0.7586236922    
O          2.786688508        -1.334464953        0.3276502512    
O          1.656422122        0.8657213206        -1.042176311    
O         -2.778223068       -0.4885462471        0.2959265101    
O          1.172278137        -2.729697552         2.180833541    
O         -1.646846709        -2.486544360         1.946025136    
H          1.679134868        -2.564638118         2.991591961    
H          3.175994310        -1.798051443       -0.4298566269    
H          2.381464427       -0.4894606530       -0.1311432724    
H         0.6439903282         1.098995059       -0.9304065643    
H         -1.708717313        0.7527295165       -0.4096207036    
H         -1.411984500         2.280144864       -0.2507429690    
H         -2.360636653        -1.190463573        0.9459136445    
H         -3.314010459        -1.051672871       -0.2842551968    
H          1.752003886        -2.241388522         1.462353310    
H        -0.6088484641        -2.568965837         2.026605646    
H         -1.960965836        -2.820557969         2.801821889    
H          2.051831310         1.711177445        -1.310572155    
    18
Energy=    -6256.61579652251    
O         -1.089394760         1.517742677       -0.7587964452    
O          2.785473552        -1.335103157        0.3271986250    
O          1.657045012        0.8661523089        -1.042770703    
O         -2.778120154       -0.4878589792        0.2957737148    
O          1.172064763        -2.729702419         2.181611897    
O         -1.646692935        -2.485636640         1.945816292    
H          1.677979155        -2.561291716         2.992370922    
H          3.177069210        -1.797770727       -0.4297295758    
H          2.380867372       -0.4899201773       -0.1316836029    
H         0.6443699238         1.098072300       -0.9308347441    
H         -1.707332918        0.7518864847       -0.4108076305    
H         -1.411256494         2.278457956       -0.2497539592    
H         -2.360635411        -1.189226198        0.9461425565    
H         -3.315631573        -1.051876579       -0.2819820192    
H          1.751117764        -2.242457131         1.461871501    
H        -0.6087191902        -2.567706943         2.026387830    
H         -1.960198657        -2.823826678         2.800111055    
H          2.051027324         1.712562176        -1.309601316    
    18
Energy=    -6256.61655722920    
O         -1.087882930         1.519015086       -0.7550061975    
O          2.785225966        -1.334230383        0.3281628938    
O          1.656683330        0.8645585150        -1.045974105    
O         -2.778069949       -0.4879077971        0.2945823762    
O          1.170695315        -2.727561159         2.182606449    
O         -1.647520426        -2.485445006         1.944884504    
H          1.674258824        -2.554455436         2.993833023    
H          3.180942531        -1.796719661       -0.4267960233    
H          2.380800658       -0.4900465986       -0.1327826395    
H         0.6443575635         1.097021578       -0.9312195305    
H         -1.706005889        0.7520043776       -0.4100128563    
H         -1.406358567         2.276362677       -0.2380847830    
H         -2.361134126        -1.188863927        0.9457123669    
H         -3.315403298        -1.052530495       -0.2828437495    
H          1.750139285        -2.241170029         1.462588062    
H        -0.6094188148        -2.566447235         2.025768453    
H         -1.961206548        -2.830891049         2.796413336    
H          2.048929059         1.709803099        -1.320507180    
    18
Energy=    -6256.61713848953    
O         -1.087326045         1.518682545       -0.7545160777    
O          2.784159043        -1.334667177        0.3278510891    
O          1.657267693        0.8648571798        -1.046626093    
O         -2.778355339       -0.4877094145        0.2944181040    
O          1.170818786        -2.728013403         2.183099514    
O         -1.646873750        -2.484452431         1.944611467    
H          1.673221671        -2.552561690         2.994490656    
H          3.181541032        -1.796959382       -0.4263215478    
H          2.380338518       -0.4903645467       -0.1336024048    
H         0.6449936094         1.097343536       -0.9312791754    
H         -1.705669015        0.7514641686       -0.4102250933    
H         -1.406408747         2.275225522       -0.2371919816    
H         -2.361039965        -1.188459282        0.9457584083    
H         -3.316846819        -1.052318606       -0.2819006223    
H          1.749997887        -2.241245106         1.463186439    
H        -0.6087373547        -2.566214437         2.025408916    
H         -1.961018728        -2.832431520         2.794969155    
H          2.048969505         1.710320599        -1.320806354    
    18
Energy=    -6256.61748402941    
O         -1.086949705         1.518761058       -0.7532182881    
O          2.783633826        -1.334608359        0.3279171142    
O          1.657515690        0.8646655822        -1.047953020    
O         -2.778734852       -0.4877624166        0.2941286000    
O          1.170868930        -2.727937456         2.183441762    
O         -1.646488771        -2.483823883         1.944448151    
H          1.671745090        -2.550042146         2.995188527    
H          3.182637335        -1.796927600       -0.4253880636    
H          2.380161124       -0.4906128667       -0.1342923173    
H         0.6455503748         1.097767452       -0.9313981340    
H         -1.705771070        0.7513999837       -0.4098138211    
H         -1.405340756         2.274319724       -0.2341599114    
H         -2.361236723        -1.188505784        0.9454835094    
H         -3.317680935        -1.052149030       -0.2819852481    
H          1.749882652        -2.240648712         1.463813929    
H        -0.6083414079        -2.566271183         2.025299042    
H         -1.961513252        -2.834722864         2.793392365    
H          2.049094435         1.709595056        -1.323579798    
    18
Energy=    -6256.61777382734    
O         -1.086774710         1.518716692       -0.7521463370    
O          2.783494188        -1.334510537        0.3280468095    
O          1.657590822        0.8644401432        -1.048708152    
O         -2.779102307       -0.4876335838        0.2941411058    
O          1.170921050        -2.727617930         2.183800473    
O         -1.646345489        -2.483750210         1.944071687    
H          1.671020803        -2.548541604         2.995711520    
H          3.183169543        -1.796911856       -0.4248475170    
H          2.380114350       -0.4907279731       -0.1346131651    
H         0.6457746782         1.097736003       -0.9314140636    
H         -1.706093626        0.7514669313       -0.4091653573    
H         -1.404427816         2.273908615       -0.2322566199    
H         -2.361364123        -1.188492301        0.9452755316    
H         -3.317650415        -1.052007239       -0.2823729735    
H          1.749857745        -2.240155806         1.464217068    
H        -0.6081949527        -2.566531318         2.025103094    
H         -1.961917187        -2.835901715         2.792265881    
H          2.048959429         1.709010246        -1.325784585    
    18
Energy=    -6256.61871017436    
O         -1.086069394         1.518568047       -0.7485361084    
O          2.783236845        -1.333960388        0.3285988216    
O          1.657802055        0.8633938123        -1.051680219    
O         -2.780532566       -0.4870575094        0.2941994841    
O          1.171073412        -2.726099191         2.185256201    
O         -1.646226294        -2.483946363         1.942715118    
H          1.668328963        -2.541455128         2.997653238    
H          3.185374888        -1.796363003       -0.4230381191    
H          2.380028574       -0.4909939549       -0.1355578489    
H         0.6464290271         1.096948305       -0.9319337176    
H         -1.707187467        0.7518644868       -0.4070762524    
H         -1.399641333         2.272362269       -0.2243323974    
H         -2.362035711        -1.188147892        0.9445137941    
H         -3.317696795        -1.051570270       -0.2835288642    
H          1.749677720        -2.238872439         1.465259872    
H        -0.6081530682        -2.567075163         2.024740971    
H         -1.963608481        -2.841769875         2.787906044    
H          2.048231606         1.706670813        -1.333835619    
    18
Energy=    -6256.61994652486    
O         -1.085096748         1.517854935       -0.7444242367    
O          2.782895828        -1.333553433        0.3290295257    
O          1.657866531        0.8622185106        -1.054572864    
O         -2.782665506       -0.4860262004        0.2952026438    
O          1.171288075        -2.724049813         2.187681364    
O         -1.645789680        -2.485057332         1.939609531    
H          1.665874994        -2.533465796         3.000187687    
H          3.186987128        -1.796204624       -0.4214020519    
H          2.379989515       -0.4912682715       -0.1363580128    
H         0.6468479575         1.095667988       -0.9323233561    
H         -1.708289721        0.7522029494       -0.4039189230    
H         -1.394123279         2.270742311       -0.2165856022    
H         -2.363003915        -1.187632189        0.9440538276    
H         -3.317215594        -1.050686222       -0.2849549805    
H          1.749742025        -2.237857678         1.466944381    
H        -0.6077823608        -2.567363630         2.024012256    
H         -1.965194813        -2.847421134         2.781832354    
H          2.046701548         1.704396186        -1.342689145    
    18
Energy=    -6256.62142723093    
O         -1.083288532         1.516845430       -0.7386157076    
O          2.782366926        -1.332694371        0.3296600795    
O          1.658012012        0.8600924076        -1.059417414    
O         -2.786120430       -0.4844528048        0.2965689373    
O          1.171807249        -2.720659020         2.191583771    
O         -1.645388094        -2.486866327         1.935045990    
H          1.661382679        -2.517952788         3.004436220    
H          3.190010636        -1.795280021       -0.4189352049    
H          2.379749832       -0.4914069837       -0.1380363754    
H         0.6473345958         1.093092411       -0.9335972851    
H         -1.709353819        0.7526399540       -0.3997390605    
H         -1.383442817         2.268018000       -0.2031754152    
H         -2.365055897        -1.186903159        0.9434177091    
H         -3.317756137        -1.049167510       -0.2861678980    
H          1.749915604        -2.237054264         1.468924766    
H        -0.6075300586        -2.566816485         2.023472635    
H         -1.968132905        -2.859413490         2.771745027    
H          2.044521142         1.700475576        -1.355846377    
    18
Energy=    -6256.62232646564    
O         -1.082996228         1.515264941       -0.7386868617    
O          2.782092687        -1.333218666        0.3291847605    
O          1.658082802        0.8600641948        -1.058937445    
O         -2.787912551       -0.4833285832        0.2988332687    
O          1.172697943        -2.719868334         2.193722136    
O         -1.644417275        -2.488396406         1.931887785    
H          1.662169578        -2.515006667         3.005854233    
H          3.188160215        -1.795932298       -0.4200295689    
H          2.379696790       -0.4915397860       -0.1379066826    
H         0.6470226523         1.091854208       -0.9337974312    
H         -1.709693477        0.7523179366       -0.3980983931    
H         -1.381604755         2.268063569       -0.2050519551    
H         -2.365877340        -1.186580840        0.9440089656    
H         -3.317780986        -1.047683024       -0.2857574588    
H          1.750640816        -2.237969618         1.469929703    
H        -0.6066603862        -2.566679767         2.022638680    
H         -1.968195149        -2.859866995         2.768184812    
H          2.043606650         1.701002690        -1.354654150    
    18
Energy=    -6256.62287141791    
O         -1.082352641         1.515396179       -0.7372815561    
O          2.782156101        -1.332857860        0.3294331312    
O          1.657713312        0.8592015671        -1.059966894    
O         -2.788644464       -0.4832068582        0.2993391317    
O          1.172633958        -2.718626573         2.194897331    
O         -1.644326687        -2.489109613         1.930211517    
H          1.660983404        -2.510737953         3.007059749    
H          3.188734762        -1.795771320       -0.4194181057    
H          2.379696872       -0.4915043327       -0.1382680472    
H         0.6466261219         1.091143905       -0.9341676904    
H         -1.708968695        0.7523605443       -0.3969810820    
H         -1.378611295         2.267648537       -0.2012477145    
H         -2.366810330        -1.186954377        0.9440299233    
H         -3.318125760        -1.047120103       -0.2859846286    
H          1.750795489        -2.237935548         1.470584005    
H        -0.6065530507        -2.565756140         2.022246405    
H         -1.968795718        -2.863274055         2.765256670    
H          2.042880606         1.699600557        -1.358417746    
    18
Energy=    -6256.62330638030    
O         -1.082436230         1.515196475       -0.7388770856    
O          2.782056938        -1.333250453        0.3290997905    
O          1.657604305        0.8594473889        -1.058993065    
O         -2.788642258       -0.4832559719        0.2998425565    
O          1.173150648        -2.719113352         2.195040358    
O         -1.643828255        -2.489045659         1.929868464    
H          1.661779587        -2.511337342         3.007145589    
H          3.187408047        -1.796209153       -0.4203953552    
H          2.379571572       -0.4915516508       -0.1380993019    
H         0.6462991484         1.091444809       -0.9341212964    
H         -1.708202615        0.7520207646       -0.3976168015    
H         -1.379526003         2.268143775       -0.2041299967    
H         -2.367150632        -1.187457545        0.9444181324    
H         -3.319308504        -1.046496679       -0.2849252333    
H          1.751193857        -2.238511167         1.470622057    
H        -0.6060681740        -2.565347473         2.022027366    
H         -1.968234333        -2.862449816         2.765364737    
H          2.043364884         1.700269605        -1.354946517    
    18
Energy=    -6256.62375800670    
O         -1.082419705         1.515195912       -0.7392770688    
O          2.782204480        -1.333465511        0.3290093562    
O          1.657293323        0.8592006317        -1.058514665    
O         -2.788798190       -0.4832158729        0.3004575682    
O          1.173648046        -2.718921538         2.195475425    
O         -1.643317288        -2.489149421         1.928976210    
H          1.662084056        -2.511161828         3.007757377    
H          3.186324299        -1.796831635       -0.4208752554    
H          2.379499330       -0.4917100421       -0.1380139419    
H         0.6459473276         1.091701413       -0.9338821766    
H         -1.707762813        0.7519485542       -0.3974133864    
H         -1.379893605         2.268538799       -0.2051979620    
H         -2.367623728        -1.188233049        0.9446105542    
H         -3.319944200        -1.045594694       -0.2846554381    
H          1.751650664        -2.238140185         1.471133397    
H        -0.6055089190        -2.565375727         2.021281890    
H         -1.967952625        -2.862253721         2.764579374    
H          2.043601530         1.699964469        -1.354126860    
    18
Energy=    -6256.62444980175    
O         -1.082175681         1.514945241       -0.7390243824    
O          2.782331596        -1.333886348        0.3288825421    
O          1.656960380        0.8585013705        -1.058742144    
O         -2.789513092       -0.4826721663        0.3015929606    
O          1.174509946        -2.717913366         2.196846185    
O         -1.642331751        -2.489480223         1.927064093    
H          1.661584755        -2.507802439         3.009427232    
H          3.185157811        -1.797826020       -0.4213571774    
H          2.379310961       -0.4922873488       -0.1380417542    
H         0.6457474860         1.091721192       -0.9338300246    
H         -1.707554996        0.7519257834       -0.3966481262    
H         -1.379034493         2.268419955       -0.2047252381    
H         -2.368406955        -1.188963489        0.9446058211    
H         -3.321478124        -1.043668145       -0.2840663253    
H          1.752305578        -2.237165442         1.472309523    
H        -0.6044840236        -2.565613740         2.019948406    
H         -1.967734880        -2.864636335         2.761541923    
H          2.043837465         1.698898076        -1.354459115    
    18
Energy=    -6256.62560374791    
O         -1.081756173         1.514859232       -0.7375920022    
O          2.782840258        -1.334393966        0.3288827345    
O          1.656408813        0.8567133047        -1.059479880    
O         -2.790539115       -0.4814553842        0.3032363577    
O          1.175575632        -2.715128999         2.199266321    
O         -1.641141917        -2.490772394         1.923613682    
H          1.660069126        -2.500935341         3.012340315    
H          3.183691947        -1.799482951       -0.4216906382    
H          2.379157066       -0.4931800459       -0.1383348893    
H         0.6453672474         1.090998870       -0.9337864053    
H         -1.707582221        0.7521876039       -0.3950317268    
H         -1.377028240         2.268025487       -0.2020300451    
H         -2.369362121        -1.189716724        0.9443178119    
H         -3.323564737        -1.040335889       -0.2833631653    
H          1.753493880        -2.235024827         1.474335746    
H        -0.6032320253        -2.565899118         2.017764969    
H         -1.967295203        -2.870207472         2.755867687    
H          2.043929765         1.696245170        -1.356992474    
    18
Energy=    -6256.62791840985    
O         -1.080865555         1.515135289       -0.7338568421    
O          2.784289372        -1.335558413        0.3291364183    
O          1.655083234        0.8522214842        -1.062388668    
O         -2.792538144       -0.4785287112        0.3066545520    
O          1.176932701        -2.707700501         2.204970312    
O         -1.638744927        -2.494378213         1.915975376    
H          1.655503913        -2.482727440         3.018693394    
H          3.181399600        -1.802971837       -0.4221458898    
H          2.379239701       -0.4956295728       -0.1386754209    
H         0.6450624521         1.088960658       -0.9340990538    
H         -1.707721398        0.7530034218       -0.3918217742    
H         -1.371453805         2.266582409       -0.1933759923    
H         -2.370846029        -1.190593085        0.9432267382    
H         -3.328956169        -1.032948656       -0.2812709495    
H          1.755717021        -2.230457235         1.478706336    
H        -0.6006725910        -2.565567917         2.013387772    
H         -1.966155879        -2.886063303         2.742248787    
H          2.043758485         1.689718177        -1.364040698    
    18
Energy=    -6256.63008136496    
O         -1.079794083         1.515830993       -0.7296634337    
O          2.786653182        -1.336992652        0.3290521924    
O          1.653737283        0.8460034287        -1.064131260    
O         -2.793928454       -0.4746150281        0.3103090851    
O          1.178468797        -2.697420027         2.211160900    
O         -1.636474589        -2.500203433         1.906907946    
H          1.650137530        -2.461305154         3.026250244    
H          3.178049817        -1.807695095       -0.4228559831    
H          2.379677154       -0.4980751794       -0.1395672127    
H         0.6436991835         1.085207308       -0.9345520722    
H         -1.708609885        0.7546991069       -0.3883383730    
H         -1.365573712         2.265336416       -0.1840313256    
H         -2.371679741        -1.190856668        0.9417468527    
H         -3.334911437        -1.023726940       -0.2779885168    
H          1.758677139        -2.224136656         1.483448625    
H        -0.5983850859        -2.565240930         2.008651072    
H         -1.964102475        -2.905500926         2.726129565    
H          2.043391360         1.681187994        -1.371203906    
    18
Energy=    -6256.63218929646    
O         -1.079986574         1.516856924       -0.7282723771    
O          2.788568560        -1.337630903        0.3291958451    
O          1.652650523        0.8426973512        -1.064990226    
O         -2.793628447       -0.4726615525        0.3121256059    
O          1.178090508        -2.691219257         2.213945880    
O         -1.636067373        -2.503646999         1.902936928    
H          1.647409716        -2.451918445         3.028583162    
H          3.176505666        -1.810407237       -0.4235523608    
H          2.380486096       -0.4994347730       -0.1398508641    
H         0.6434748268         1.082802685       -0.9343353116    
H         -1.708949413        0.7558108915       -0.3871560754    
H         -1.364134161         2.265156655       -0.1804381765    
H         -2.370924753        -1.190539931        0.9410702032    
H         -3.337160733        -1.019475645       -0.2761610606    
H          1.760167152        -2.221026813         1.485239026    
H        -0.5979518140        -2.564488147         2.006633332    
H         -1.962545268        -2.915400308         2.719555697    
H          2.043027472         1.677022060        -1.373204829    
    18
Energy=    -6256.63323336876    
O         -1.079016083         1.517688359       -0.7240534702    
O          2.789278691        -1.337428458        0.3297042118    
O          1.652343869        0.8396649020        -1.068916828    
O         -2.794724469       -0.4710773850        0.3128551985    
O          1.177403208        -2.686091676         2.217154299    
O         -1.636109188        -2.506534783         1.899218525    
H          1.642686758        -2.437384643         3.031726326    
H          3.178470734        -1.811001564       -0.4218668240    
H          2.381202031       -0.5002601626       -0.1410814176    
H         0.6440321765         1.080245646       -0.9353021214    
H         -1.709256335        0.7567502682       -0.3852175887    
H         -1.357556222         2.263196825       -0.1693322659    
H         -2.371198183        -1.189406689        0.9400687147    
H         -3.339517285        -1.017274237       -0.2750711234    
H          1.760534506        -2.219544187         1.486854191    
H        -0.5981404815        -2.562692102         2.006147377    
H         -1.963036704        -2.928957248         2.710664879    
H          2.041634962         1.672603692        -1.382227684    
    18
Energy=    -6256.63352279269    
O         -1.079871791         1.518264341       -0.7256484099    
O          2.789676783        -1.337503159        0.3296912512    
O          1.652489117        0.8406334363        -1.067614049    
O         -2.793408330       -0.4717344009        0.3118656472    
O          1.176482486        -2.687462041         2.215375903    
O         -1.636900230        -2.506747705         1.901168423    
H          1.644619277        -2.443686525         3.029410309    
H          3.178126621        -1.810942821       -0.4222733408    
H          2.382002185       -0.4998431009       -0.1404352881    
H         0.6440247984         1.080817999       -0.9348800419    
H         -1.709349865        0.7569049452       -0.3867182015    
H         -1.361058326         2.264455695       -0.1736641319    
H         -2.369825464        -1.188785875        0.9402233887    
H         -3.338196381        -1.019306591       -0.2748318275    
H          1.759963580        -2.220800693         1.485656456    
H        -0.5991001930        -2.562458458         2.007592138    
H         -1.962282274        -2.923786160         2.714821306    
H          2.041639990         1.674477669        -1.378415134    
    18
Energy=    -6256.63398047745    
O         -1.079296080         1.518318157       -0.7245691523    
O          2.789736768        -1.337315674        0.3297614681    
O          1.652233124        0.8398886549        -1.068291085    
O         -2.793770349       -0.4716098292        0.3121726956    
O          1.176576897        -2.686420491         2.215973415    
O         -1.636732380        -2.506708518         1.900399122    
H          1.643455946        -2.440692093         3.030292729    
H          3.178663604        -1.810964697       -0.4218564985    
H          2.381825592       -0.4999899454       -0.1408948385    
H         0.6437997357         1.080547830       -0.9349414218    
H         -1.709031191        0.7570384484       -0.3857684519    
H         -1.359224679         2.264047822       -0.1712152727    
H         -2.370405536        -1.189282801        0.9402067048    
H         -3.338404436        -1.018648386       -0.2750673131    
H          1.760013886        -2.219905188         1.486114759    
H        -0.5988665819        -2.562458877         2.007097116    
H         -1.962852446        -2.926536172         2.712845293    
H          2.041310108         1.673188316        -1.380934869    
    18
Energy=    -6256.63430488970    
O         -1.078808487         1.518599287       -0.7234026585    
O          2.790053451        -1.337254889        0.3298315682    
O          1.651900052        0.8388506118        -1.069192153    
O         -2.794068115       -0.4713343806        0.3126227176    
O          1.176586181        -2.684845706         2.216845856    
O         -1.636568045        -2.507227903         1.899209828    
H          1.642091414        -2.436682093         3.031318930    
H          3.179040971        -1.811381293       -0.4214643119    
H          2.382017653       -0.5002947137       -0.1414130659    
H         0.6436422466         1.080086857       -0.9349209317    
H         -1.708804627        0.7573946333       -0.3848258014    
H         -1.357341003         2.263790907       -0.1685407602    
H         -2.370769097        -1.189620928        0.9401313606    
H         -3.338965069        -1.017825547       -0.2748474260    
H          1.760133676        -2.218850819         1.486741464    
H        -0.5986806790        -2.562265759         2.006683828    
H         -1.963271517        -2.930225768         2.710016669    
H          2.040842977         1.671584060        -1.383470715    
    18
Energy=    -6256.63509210015    
O         -1.077672591         1.519677540       -0.7201642332    
O          2.791120513        -1.337065217        0.3300435791    
O          1.650960354        0.8361618759        -1.071545239    
O         -2.794586241       -0.4707881912        0.3136319486    
O          1.176402835        -2.680695824         2.218991778    
O         -1.636246768        -2.508744099         1.896172541    
H          1.638641040        -2.426868981         3.033720333    
H          3.180051209        -1.812812726       -0.4202488004    
H          2.382923097       -0.5010972338       -0.1428835738    
H         0.6432772570         1.078981207       -0.9346720441    
H         -1.708277115        0.7585714065       -0.3823899264    
H         -1.353061568         2.263534159       -0.1619087748    
H         -2.371361824        -1.190435738        0.9398594515    
H         -3.340241949        -1.016153544       -0.2740987950    
H          1.760329458        -2.216067285         1.488332394    
H        -0.5983653568        -2.561799637         2.005869656    
H         -1.964381671        -2.939326897         2.702759187    
H          2.039521305         1.667425741        -1.390145081    
    18
Energy=    -6256.63606781208    
O         -1.076819983         1.520986629       -0.7172105360    
O          2.792408178        -1.336985469        0.3301827349    
O          1.650052787        0.8337806474        -1.073619598    
O         -2.794886747       -0.4704029358        0.3145513350    
O          1.176268078        -2.676894484         2.221018109    
O         -1.635931288        -2.510275779         1.893260726    
H          1.635745482        -2.418239364         3.035779753    
H          3.180765254        -1.814785131       -0.4190694004    
H          2.384284186       -0.5019369534       -0.1443997870    
H         0.6429994138         1.078051202       -0.9343055522    
H         -1.707937947        0.7599994279       -0.3802067495    
H         -1.349860823         2.263903686       -0.1565969972    
H         -2.371522176        -1.191112674        0.9396036434    
H         -3.341504484        -1.015062690       -0.2728752798    
H          1.760433783        -2.213443667         1.489854171    
H        -0.5981391269        -2.561629935         2.005272614    
H         -1.965532956        -2.947208624         2.695856431    
H          2.038210353         1.663752670        -1.395771218    
    18
Energy=    -6256.63755001376    
O         -1.076374439         1.523227882       -0.7131798276    
O          2.794893582        -1.337376901        0.3304913184    
O          1.648921489        0.8308113165        -1.076037160    
O         -2.795189113       -0.4696387424        0.3160168073    
O          1.176509150        -2.671416369         2.224365909    
O         -1.635382025        -2.512989191         1.888673646    
H          1.632736007        -2.406612709         3.038921279    
H          3.180899977        -1.818826926       -0.4176536612    
H          2.386451899       -0.5036172813       -0.1459027851    
H         0.6426925580         1.076401990       -0.9344582009    
H         -1.708191024        0.7625196260       -0.3774780700    
H         -1.346807829         2.265344290       -0.1504174834    
H         -2.370840151        -1.191507646        0.9391601493    
H         -3.343684693        -1.013684031       -0.2703335627    
H          1.760962280        -2.210124983         1.492109791    
H        -0.5977729248        -2.561804690         2.003666446    
H         -1.967213397        -2.957532622         2.685934694    
H          2.036420636         1.659323543        -1.402554890    
    18
Energy=    -6256.63767543260    
O         -1.076268672         1.524419699       -0.7127892795    
O          2.795924897        -1.337815250        0.3301446568    
O          1.648563527        0.8299727484        -1.076193503    
O         -2.794680833       -0.4694492570        0.3165396728    
O          1.176977361        -2.669453055         2.225661316    
O         -1.635020458        -2.514072652         1.886952860    
H          1.632213322        -2.402514504         3.039798312    
H          3.180227794        -1.821350685       -0.4174072620    
H          2.387621489       -0.5047425295       -0.1464550402    
H         0.6424612714         1.075821807       -0.9347331403    
H         -1.708580479        0.7639125946       -0.3776155199    
H         -1.347143550         2.266380316       -0.1499372414    
H         -2.370032305        -1.190827399        0.9388102045    
H         -3.345571792        -1.013315774       -0.2676093019    
H          1.761654771        -2.209339907         1.493086295    
H        -0.5977904308        -2.562229168         2.003260098    
H         -1.967499137        -2.961307867         2.682155694    
H          2.035975207         1.658407440        -1.402344423    
    18
Energy=    -6256.63814985094    
O         -1.076444798         1.524333925       -0.7118667535    
O          2.796180005        -1.338148718        0.3303774458    
O          1.648439790        0.8294840929        -1.076658981    
O         -2.795350727       -0.4686803243        0.3170518891    
O          1.177206570        -2.668394672         2.226782602    
O         -1.634515054        -2.514983805         1.885318787    
H          1.631747227        -2.400048628         3.041004769    
H          3.179665520        -1.822097287       -0.4174180861    
H          2.387573064       -0.5050046965       -0.1464918868    
H         0.6424646940         1.075289413       -0.9347382353    
H         -1.708763992        0.7639820628       -0.3767849506    
H         -1.346423654         2.266386545       -0.1486579853    
H         -2.369979173        -1.190882187        0.9385890553    
H         -3.346272650        -1.012277291       -0.2675054568    
H          1.762109492        -2.208767961         1.493911433    
H        -0.5971889257        -2.562273016         2.002543959    
H         -1.967319117        -2.963029702         2.679821107    
H          2.035903711         1.657608808        -1.403954314    
    18
Energy=    -6256.63820183760    
O         -1.076523744         1.524118337       -0.7122853234    
O          2.795906385        -1.338412361        0.3302592343    
O          1.648621846        0.8297699760        -1.076291858    
O         -2.795344677       -0.4685723194        0.3170504082    
O          1.177323763        -2.668763490         2.226784533    
O         -1.634234228        -2.514805618         1.885307236    
H          1.632054202        -2.400656465         3.040967484    
H          3.179269670        -1.822174506       -0.4177109361    
H          2.387345108       -0.5050595288       -0.1463648129    
H         0.6425593635         1.075329943       -0.9347452389    
H         -1.708799534        0.7637631404       -0.3771319943    
H         -1.347083566         2.266443060       -0.1497931016    
H         -2.369829664        -1.190789867        0.9385542024    
H         -3.346710161        -1.012142961       -0.2671155535    
H          1.762205985        -2.209076813         1.493904993    
H        -0.5969134857        -2.562282775         2.002561084    
H         -1.966964657        -2.962383028         2.680106071    
H          2.036149376         1.658191833        -1.402732029    
    18
Energy=    -6256.63830875359    
O         -1.076661285         1.523895797       -0.7127402318    
O          2.795520385        -1.339002979        0.3301271851    
O          1.648832060        0.8300048722        -1.075811124    
O         -2.795383506       -0.4682666595        0.3171791012    
O          1.177678188        -2.668997719         2.227184777    
O         -1.633586395        -2.514832180         1.884615489    
H          1.632464980        -2.400785057         3.041242062    
H          3.178379438        -1.822667140       -0.4181516095    
H          2.387042824       -0.5053569264       -0.1461152324    
H         0.6426523131         1.075255393       -0.9346685954    
H         -1.708991230        0.7636125319       -0.3775033726    
H         -1.348029301         2.266781066       -0.1512460572    
H         -2.369523866        -1.190656256        0.9383207006    
H         -3.347795813        -1.011646467       -0.2661670903    
H          1.762652378        -2.209419699         1.494270850    
H        -0.5963137178        -2.562309893         2.002451361    
H         -1.966364951        -2.961968409         2.679643854    
H          2.036459481         1.658856282        -1.401307669    
    18
Energy=    -6256.63840637079    
O         -1.076779923         1.523669277       -0.7135759628    
O          2.795159560        -1.339604008        0.3298631710    
O          1.649035381        0.8303267335        -1.075129251    
O         -2.795386330       -0.4680916482        0.3174192212    
O          1.178211975        -2.669486294         2.227406436    
O         -1.633008091        -2.514739802         1.884236436    
H          1.633081131        -2.401120630         3.041367615    
H          3.177473593        -1.823193722       -0.4187690426    
H          2.386812190       -0.5056554328       -0.1459543803    
H         0.6427319764         1.075360997       -0.9345451243    
H         -1.709090160        0.7635887127       -0.3778580419    
H         -1.349174648         2.267338051       -0.1536491531    
H         -2.369263899        -1.190574785        0.9382573906    
H         -3.348854504        -1.011335624       -0.2650749636    
H          1.763099779        -2.209897155         1.494393713    
H        -0.5957935636        -2.562387693         2.002489421    
H         -1.966039970        -2.961396396         2.679433353    
H          2.036817487         1.659695976        -1.398986438    
    18
Energy=    -6256.63857791550    
O         -1.076967786         1.523520930       -0.7147570751    
O          2.794739474        -1.340342894        0.3295324733    
O          1.649207092        0.8308113099        -1.074036050    
O         -2.795140663       -0.4680821418        0.3175999114    
O          1.178758589        -2.670362243         2.227228635    
O         -1.632536736        -2.514508660         1.884380971    
H          1.634066443        -2.402647760         3.041108860    
H          3.176731788        -1.823528579       -0.4195193356    
H          2.386450357       -0.5059964338       -0.1456554820    
H         0.6427206947         1.075675170       -0.9341652853    
H         -1.709136381        0.7636549273       -0.3782459755    
H         -1.351013357         2.268430956       -0.1572007830    
H         -2.368800303        -1.190508212        0.9383583620    
H         -3.349387838        -1.011336168       -0.2641520890    
H          1.763536055        -2.210636194         1.494131732    
H        -0.5953481876        -2.562441927         2.002759722    
H         -1.965995827        -2.960062403         2.680108175    
H          2.037148570         1.660856879        -1.396152367    
    18
Energy=    -6256.63878853717    
O         -1.077265108         1.523660288       -0.7160671352    
O          2.794613292        -1.341099555        0.3291335055    
O          1.649254932        0.8312842287        -1.072895391    
O         -2.794724283       -0.4681267706        0.3178339192    
O          1.179298727        -2.671284056         2.226809213    
O         -1.632358753        -2.514349059         1.884981074    
H          1.635153627        -2.404274052         3.040635244    
H          3.176348900        -1.823957341       -0.4203008853    
H          2.386285900       -0.5064465154       -0.1454162739    
H         0.6426691685         1.076143737       -0.9336620396    
H         -1.709135040        0.7639797380       -0.3786197727    
H         -1.353250003         2.269976403       -0.1612137225    
H         -2.368213095        -1.190297910        0.9387141094    
H         -3.349407644        -1.011621170       -0.2633170442    
H          1.763893966        -2.211390271         1.493605989    
H        -0.5951895937        -2.562665781         2.003202602    
H         -1.966347456        -2.958963524         2.681065212    
H          2.037404448         1.661928169        -1.393164205    
    18
Energy=    -6256.63904174952    
O         -1.077644298         1.523911943       -0.7171744098    
O          2.794638234        -1.341646077        0.3286903736    
O          1.649269594        0.8317729408        -1.071767143    
O         -2.794183900       -0.4681807121        0.3180871879    
O          1.179487187        -2.672314122         2.226065194    
O         -1.632603289        -2.514081313         1.886148327    
H          1.636133765        -2.406386356         3.039869997    
H          3.176625965        -1.823991314       -0.4209858242    
H          2.386198958       -0.5067459719       -0.1452877204    
H         0.6426078800         1.076666392       -0.9331124545    
H         -1.709080762        0.7642689506       -0.3788196155    
H         -1.355761716         2.271528300       -0.1650517326    
H         -2.367760482        -1.190031809        0.9393668793    
H         -3.348272360        -1.012078009       -0.2632520496    
H          1.763915078        -2.212247551         1.492811445    
H        -0.5954070969        -2.562934204         2.003809383    
H         -1.966802356        -2.957832295         2.682734209    
H          2.037671583         1.662817765        -1.390807648    
    18
Energy=    -6256.63944603530    
O         -1.078385534         1.524412675       -0.7187759907    
O          2.794956470        -1.342540162        0.3278848449    
O          1.649211294        0.8325407561        -1.070078487    
O         -2.793279599       -0.4680111628        0.3187387564    
O          1.179471492        -2.673763827         2.224973096    
O         -1.633195203        -2.513762434         1.888102025    
H          1.637489763        -2.409376518         3.038628928    
H          3.177453667        -1.824078578       -0.4220932105    
H          2.386350434       -0.5073003070       -0.1452205231    
H         0.6424865296         1.077497789       -0.9323469654    
H         -1.708978710        0.7647097262       -0.3790317930    
H         -1.360080888         2.273995942       -0.1709213387    
H         -2.367145951        -1.189419949        0.9407356876    
H         -3.345718812        -1.012649439       -0.2634506446    
H          1.763648037        -2.213625786         1.491619539    
H        -0.5959506940        -2.563495840         2.004730037    
H         -1.967394202        -2.956623645         2.685241073    
H          2.038093889         1.663987317        -1.387410637    
    18
Energy=    -6256.63979526196    
O         -1.078869858         1.524752402       -0.7191087449    
O          2.795165528        -1.343300929        0.3271331559    
O          1.649199388        0.8326676206        -1.069300288    
O         -2.792936525       -0.4673400144        0.3198669886    
O          1.179300266        -2.674101168         2.224939786    
O         -1.633460628        -2.513895688         1.888784981    
H          1.637587710        -2.409131049         3.038434649    
H          3.178341668        -1.824240628       -0.4228956756    
H          2.386591005       -0.5078888186       -0.1455949875    
H         0.6425019751         1.077758004       -0.9317999382    
H         -1.708926740        0.7649118810       -0.3785372160    
H         -1.362959434         2.275575089       -0.1742150710    
H         -2.367097729        -1.188855949        0.9419432863    
H         -3.343666365        -1.012076084       -0.2637896652    
H          1.763362100        -2.214524158         1.491281165    
H        -0.5961751495        -2.563769266         2.005061205    
H         -1.967474885        -2.958088005         2.685406183    
H          2.038549656         1.664043316        -1.386285414    
    18
Energy=    -6256.64009158903    
O         -1.079285016         1.524884386       -0.7196189698    
O          2.795289902        -1.344225623        0.3263230250    
O          1.649168073        0.8329808954        -1.068474843    
O         -2.792638545       -0.4665076536        0.3210203713    
O          1.179105366        -2.674546057         2.225225653    
O         -1.633510033        -2.513973184         1.889212571    
H          1.637675905        -2.408773482         3.038261602    
H          3.179009895        -1.824612175       -0.4237599901    
H          2.386962593       -0.5084841450       -0.1460032816    
H         0.6424987600         1.078142514       -0.9315556420    
H         -1.708914167        0.7651429752       -0.3781544119    
H         -1.365874667         2.276895806       -0.1775690344    
H         -2.367095390        -1.188204747        0.9431630034    
H         -3.341910810        -1.011453850       -0.2637287579    
H          1.762957672        -2.215570001         1.491206705    
H        -0.5962633496        -2.564137200         2.005369508    
H         -1.967144904        -2.959393868         2.685133936    
H          2.039000700         1.664331965        -1.384727046    
    18
Energy=    -6256.64027249447    
O         -1.079070617         1.524696502       -0.7188859055    
O          2.795002755        -1.344761973        0.3259372326    
O          1.649269516        0.8324974282        -1.068937613    
O         -2.793078458       -0.4656880781        0.3220229984    
O          1.179148605        -2.673752632         2.226487832    
O         -1.632950688        -2.514397854         1.888138897    
H          1.636447796        -2.404930488         3.039276188    
H          3.179200235        -1.824925161       -0.4240239897    
H          2.386925922       -0.5089587971       -0.1464906434    
H         0.6426838984         1.077782438       -0.9316339644    
H         -1.708941189        0.7650718686       -0.3774869325    
H         -1.365599398         2.276767308       -0.1770435692    
H         -2.367494148        -1.187966010        0.9434480452    
H         -3.342410093        -1.009964107       -0.2632500266    
H          1.762922167        -2.215681937         1.491953500    
H        -0.5957266067        -2.563872285         2.005064266    
H         -1.966559825        -2.963023436         2.682315322    
H          2.039262109         1.663603770        -1.385567238    
    18
Energy=    -6256.64046064987    
O         -1.078802469         1.524369392       -0.7186207148    
O          2.794356676        -1.345408588        0.3255357908    
O          1.649479268        0.8323222431        -1.069149541    
O         -2.793448545       -0.4650964846        0.3227991387    
O          1.179391117        -2.673599068         2.227492719    
O         -1.632291442        -2.514431627         1.887528599    
H          1.635462370        -2.401993749         3.039930548    
H          3.179308055        -1.825034763       -0.4243694291    
H          2.386582870       -0.5093813542       -0.1468472802    
H         0.6429134291         1.077642772       -0.9317031254    
H         -1.708925323        0.7649985153       -0.3770423978    
H         -1.365478333         2.276833298       -0.1774193910    
H         -2.367755462        -1.187773092        0.9436676850    
H         -3.343206854        -1.008861360       -0.2625152756    
H          1.762934076        -2.216125480         1.492486965    
H        -0.5951204491        -2.563632996         2.005067495    
H         -1.965975347        -2.965787623         2.680035139    
H          2.039608347         1.663456523        -1.385552526    
    18
Energy=    -6256.64068839875    
O         -1.078112855         1.524293721       -0.7176050066    
O          2.793785468        -1.346305882        0.3250890445    
O          1.649530235        0.8314196540        -1.070002570    
O         -2.793906383       -0.4642272254        0.3239461784    
O          1.179757895        -2.672402012         2.229249478    
O         -1.631486346        -2.514826433         1.886377497    
H          1.633254273        -2.395349485         3.041192340    
H          3.179832235        -1.825512121       -0.4245463941    
H          2.386184195       -0.5103030358       -0.1475108679    
H         0.6431442312         1.077175903       -0.9318894233    
H         -1.708802497        0.7654707683       -0.3759258431    
H         -1.364150998         2.277071033       -0.1765509409    
H         -2.367962431        -1.187510935        0.9438154670    
H         -3.344835068        -1.007248775       -0.2610200365    
H          1.763111516        -2.216199996         1.493329649    
H        -0.5943857508        -2.563159936         2.005043998    
H         -1.965613332        -2.972254917         2.675212523    
H          2.039687597         1.662366230        -1.386880695    
    18
Energy=    -6256.64083337085    
O         -1.077839981         1.524390646       -0.7173014201    
O          2.792986368        -1.346972576        0.3246710704    
O          1.649888949        0.8310400289        -1.070450744    
O         -2.794108774       -0.4638129033        0.3249442607    
O          1.179956514        -2.672308998         2.229692395    
O         -1.631220153        -2.514477972         1.886913583    
H          1.631494129        -2.391620322         3.041291781    
H          3.180857807        -1.825184380       -0.4247033869    
H          2.385300706       -0.5110333101       -0.1479290606    
H         0.6435373004         1.076765445       -0.9317340696    
H         -1.708431374        0.7657002329       -0.3749877685    
H         -1.363815411         2.278085943       -0.1773720062    
H         -2.368124041        -1.187326985        0.9444946381    
H         -3.344810235        -1.006589539       -0.2604504281    
H          1.763160390        -2.216619435         1.493319992    
H        -0.5940887766        -2.562933595         2.005556932    
H         -1.965561751        -2.976697357         2.672751695    
H          2.039850317         1.662091634        -1.387383064    
    18
Energy=    -6256.64094380817    
O         -1.077415004         1.524814140       -0.7163682247    
O          2.793380837        -1.347092697        0.3247423418    
O          1.649550131        0.8302645144        -1.071126515    
O         -2.794040549       -0.4635473603        0.3252513665    
O          1.179889684        -2.671174022         2.230247406    
O         -1.631388527        -2.514896636         1.886618590    
H          1.630218744        -2.388099444         3.041726249    
H          3.181521354        -1.825539099       -0.4243712011    
H          2.385402976       -0.5114884900       -0.1482443662    
H         0.6434416952         1.076537239       -0.9319831632    
H         -1.708310702        0.7664145150       -0.3741267585    
H         -1.362727326         2.278317040       -0.1758836021    
H         -2.368092601        -1.187167816        0.9445655923    
H         -3.344964876        -1.006294856       -0.2600073207    
H          1.763243384        -2.216206367         1.493503318    
H        -0.5942845482        -2.562767490         2.005542731    
H         -1.965865025        -2.980496363         2.670474903    
H          2.039472336         1.660919749        -1.389236947    
    18
Energy=    -6256.64097919085    
O         -1.077380021         1.524936373       -0.7165024432    
O          2.793554575        -1.346935619        0.3248833780    
O          1.649433769        0.8302945044        -1.071117598    
O         -2.793752212       -0.4636670506        0.3250886686    
O          1.179735204        -2.671348925         2.229762836    
O         -1.631777580        -2.514739948         1.887297111    
H          1.630238429        -2.388733204         3.041306359    
H          3.181743848        -1.825320747       -0.4242674542    
H          2.385340589       -0.5114580763       -0.1480550819    
H         0.6433537179         1.076724168       -0.9320787946    
H         -1.708236949        0.7665691487       -0.3742548629    
H         -1.362845402         2.278428107       -0.1760062826    
H         -2.368066690        -1.187158975        0.9447551201    
H         -3.344400078        -1.006669886       -0.2602710596    
H          1.763239250        -2.216282984         1.493149463    
H        -0.5945909749        -2.562726295         2.005671967    
H         -1.965955329        -2.980349429         2.671186622    
H          2.039397838         1.660935393        -1.389223549    
    18
Energy=    -6256.64099818207    
O         -1.077320978         1.525046958       -0.7163541051    
O          2.793659618        -1.346841959        0.3249683649    
O          1.649380789        0.8301909695        -1.071272437    
O         -2.793678600       -0.4636747975        0.3250895841    
O          1.179610408        -2.671228013         2.229557909    
O         -1.631971546        -2.514693218         1.887591707    
H          1.629948566        -2.388474837         3.041168573    
H          3.182018496        -1.825198639       -0.4241092509    
H          2.385289703       -0.5114714784       -0.1480661967    
H         0.6433329733         1.076658328       -0.9321465347    
H         -1.708158948        0.7666449200       -0.3741210788    
H         -1.362666405         2.278500546       -0.1757121525    
H         -2.368100128        -1.187102573        0.9449115584    
H         -3.343978957        -1.006779865       -0.2604554346    
H          1.763218215        -2.216187069         1.492990573    
H        -0.5947715288        -2.562703304         2.005751544    
H         -1.966077644        -2.980930503         2.671191308    
H          2.039297950         1.660741090        -1.389659532    
    18
Energy=    -6256.64101936723    
O         -1.077315809         1.525077004       -0.7162622584    
O          2.793705776        -1.346642811        0.3251259879    
O          1.649376617        0.8302392677        -1.071392351    
O         -2.793649747       -0.4637368522        0.3250403882    
O          1.179482946        -2.671354933         2.229188853    
O         -1.632161303        -2.514533184         1.887946957    
H          1.629823368        -2.388934863         3.040929463    
H          3.182130719        -1.825029573       -0.4238969490    
H          2.385221138       -0.5113581909       -0.1479932776    
H         0.6433259357         1.076661711       -0.9322541814    
H         -1.708087065        0.7665925999       -0.3740439874    
H         -1.362659467         2.278496825       -0.1755808356    
H         -2.368206095        -1.187056522        0.9450984548    
H         -3.343378241        -1.007012650       -0.2608331147    
H          1.763228323        -2.216154591         1.492800359    
H        -0.5949389264        -2.562696091         2.005809934    
H         -1.966126802        -2.980797116         2.671611861    
H          2.039260613         1.660736527        -1.389970904    
    18
Energy=    -6256.64105004242    
O         -1.077312855         1.525044419       -0.7161658047    
O          2.793701352        -1.346505645        0.3252930581    
O          1.649399222        0.8302637888        -1.071569429    
O         -2.793710067       -0.4636350974        0.3251964561    
O          1.179447601        -2.671478763         2.228941674    
O         -1.632194831        -2.514397221         1.888083282    
H          1.629572466        -2.389079452         3.040815569    
H          3.181988193        -1.825075262       -0.4236881466    
H          2.385169930       -0.5112964679       -0.1479052772    
H         0.6433425083         1.076645213       -0.9324287320    
H         -1.708032453        0.7665323423       -0.3738873022    
H         -1.362778454         2.278546864       -0.1756652842    
H         -2.368358364        -1.186909833        0.9453957303    
H         -3.342829461        -1.007075982       -0.2610550059    
H          1.763364360        -2.216140451         1.492725365    
H        -0.5949560252        -2.562653849         2.005783046    
H         -1.966043095        -2.981033540         2.671613588    
H          2.039261956         1.660745493        -1.390158388    
    18
Energy=    -6256.64108567796    
O         -1.077283267         1.524902713       -0.7161171306    
O          2.793607556        -1.346375900        0.3255076994    
O          1.649444280        0.8303489306        -1.071737364    
O         -2.793866165       -0.4634682509        0.3254960816    
O          1.179518418        -2.671816145         2.228701176    
O         -1.632070057        -2.514195205         1.888109664    
H          1.629348344        -2.389462725         3.040713133    
H          3.181474172        -1.825240651       -0.4234665399    
H          2.385133895       -0.5111369955       -0.1477746240    
H         0.6433837241         1.076644725       -0.9326192024    
H         -1.708028263        0.7664492175       -0.3736453912    
H         -1.363115236         2.278677292       -0.1762299886    
H         -2.368533234        -1.186674731        0.9457781383    
H         -3.342251764        -1.007117806       -0.2612282749    
H          1.763566228        -2.216219995         1.492723783    
H        -0.5948150921        -2.562602919         2.005716441    
H         -1.965808386        -2.981110731         2.671506986    
H          2.039326830         1.660895732        -1.390110189    
    18
Energy=    -6256.64111242506    
O         -1.077211886         1.524803783       -0.7158570631    
O          2.793604272        -1.346199387        0.3257729402    
O          1.649461410        0.8301379909        -1.072154490    
O         -2.794078079       -0.4630527563        0.3260101447    
O          1.179649201        -2.671927131         2.228734129    
O         -1.631774480        -2.514127588         1.887882784    
H          1.628713403        -2.388805593         3.040831585    
H          3.180745727        -1.825762090       -0.4231927199    
H          2.385281355       -0.5110987335       -0.1476694253    
H         0.6433802697         1.076596189       -0.9328649684    
H         -1.708018350        0.7665463362       -0.3731939504    
H         -1.363365739         2.279007348       -0.1767501586    
H         -2.368641929        -1.186270017        0.9462609636    
H         -3.341799608        -1.006939110       -0.2610569358    
H          1.763819707        -2.216190556         1.492822204    
H        -0.5945430337        -2.562460459         2.005586058    
H         -1.965513083        -2.982494723         2.670471634    
H          2.039322827         1.660733053        -1.390308333    
    18
Energy=    -6256.64114966727    
O         -1.077164417         1.524711136       -0.7159568859    
O          2.793496675        -1.346303994        0.3257274462    
O          1.649479041        0.8301159834        -1.072130886    
O         -2.794172808       -0.4629260832        0.3262304846    
O          1.179806804        -2.672034039         2.228903677    
O         -1.631521930        -2.514113819         1.887661710    
H          1.628662530        -2.388541908         3.040997977    
H          3.180355470        -1.825956049       -0.4232668737    
H          2.385298728       -0.5110800870       -0.1477033766    
H         0.6434351866         1.076545156       -0.9328305037    
H         -1.708070189        0.7665486527       -0.3731637797    
H         -1.363526477         2.279115246       -0.1772214757    
H         -2.368612925        -1.186187088        0.9462955941    
H         -3.342108718        -1.006745055       -0.2607780251    
H          1.763864957        -2.216245802         1.492984776    
H        -0.5942659899        -2.562443580         2.005529640    
H         -1.965342312        -2.982768761         2.669997253    
H          2.039418357         1.660806647        -1.389952352    
    18
Energy=    -6256.64118320922    
O         -1.077109597         1.524643817       -0.7161034305    
O          2.793456346        -1.346302124        0.3257240776    
O          1.649470036        0.8300035333        -1.072132157    
O         -2.794207343       -0.4628209678        0.3263964173    
O          1.179927360        -2.672163443         2.229038744    
O         -1.631253681        -2.514047330         1.887548641    
H          1.628584411        -2.388369912         3.041118194    
H          3.179843364        -1.826174349       -0.4233248399    
H          2.385412945       -0.5109670887       -0.1477363803    
H         0.6434639291         1.076467700       -0.9327519026    
H         -1.708128958        0.7666218888       -0.3731526674    
H         -1.363676052         2.279294072       -0.1777971147    
H         -2.368458574        -1.186078754        0.9462808539    
H         -3.342466195        -1.006617931       -0.2603901497    
H          1.763800839        -2.216269709         1.493085721    
H        -0.5939712615        -2.562415417         2.005511280    
H         -1.965151711        -2.983146530         2.669529957    
H          2.039496125         1.660839101        -1.389520847    
    18
Energy=    -6256.64120195181    
O         -1.077069538         1.524613151       -0.7162144401    
O          2.793485132        -1.346226563        0.3257765297    
O          1.649464463        0.8298321287        -1.072216086    
O         -2.794205111       -0.4626892802        0.3265753919    
O          1.179968853        -2.672239197         2.229068527    
O         -1.631092678        -2.513947743         1.887602149    
H          1.628384678        -2.388069043         3.041168138    
H          3.179432663        -1.826321609       -0.4233425124    
H          2.385498763       -0.5108694351       -0.1477194187    
H         0.6434759277         1.076330390       -0.9327498577    
H         -1.708144133        0.7667079613       -0.3731091841    
H         -1.363745455         2.279505431       -0.1782630112    
H         -2.368317658        -1.185928094        0.9463665543    
H         -3.342600977        -1.006511220       -0.2600838428    
H          1.763727909        -2.216269901         1.493082722    
H        -0.5937734536        -2.562350750         2.005514549    
H         -1.964998580        -2.983867323         2.669092217    
H          2.039541179         1.660797652        -1.389224027    
    18
Energy=    -6256.64121505763    
O         -1.077104903         1.524553108       -0.7165046190    
O          2.793555305        -1.346000023        0.3258843776    
O          1.649497464        0.8298307197        -1.072179497    
O         -2.794116431       -0.4627220083        0.3265460541    
O          1.179905376        -2.672581702         2.228779741    
O         -1.631121920        -2.513662948         1.888050249    
H          1.628498133        -2.388777770         3.040915251    
H          3.179126480        -1.826167939       -0.4233575764    
H          2.385508718       -0.5106278432       -0.1475684032    
H         0.6434696310         1.076245541       -0.9328106319    
H         -1.708148387        0.7667292841       -0.3731911045    
H         -1.363885204         2.279658912       -0.1788862836    
H         -2.368180820        -1.185825545        0.9464666143    
H         -3.342380377        -1.006705778       -0.2600622880    
H          1.763571363        -2.216346367         1.492858565    
H        -0.5938071101        -2.562342992         2.005646507    
H         -1.964943079        -2.983738726         2.669489456    
H          2.039587745         1.660978633        -1.388752013    
    18
Energy=    -6256.64121678959    
O         -1.077163025         1.524513377       -0.7167820765    
O          2.793577476        -1.345818246        0.3259936907    
O          1.649563748        0.8298761083        -1.072170065    
O         -2.794022656       -0.4626902750        0.3265499219    
O          1.179876159        -2.672879447         2.228508082    
O         -1.631204569        -2.513389279         1.888464340    
H          1.628538310        -2.389301766         3.040709888    
H          3.178933266        -1.826064479       -0.4233777424    
H          2.385476555       -0.5104605797       -0.1474562022    
H         0.6434832867         1.076194353       -0.9329584748    
H         -1.708120644        0.7666583789       -0.3733806642    
H         -1.364090664         2.279752554       -0.1793911422    
H         -2.368106233        -1.185670190        0.9466367684    
H         -3.342172039        -1.006822359       -0.2599914381    
H          1.763472306        -2.216506322         1.492670051    
H        -0.5938053007        -2.562258795         2.005779431    
H         -1.964882276        -2.983822065         2.669798491    
H          2.039678283         1.661185588        -1.388278462    
    18
Energy=    -6256.64122379574    
O         -1.077172120         1.524499312       -0.7168027153    
O          2.793560359        -1.345828223        0.3259624493    
O          1.649568523        0.8299249770        -1.072143748    
O         -2.794020920       -0.4627196786        0.3265172818    
O          1.179863386        -2.672907746         2.228493025    
O         -1.631213222        -2.513369841         1.888491295    
H          1.628607777        -2.389421855         3.040694220    
H          3.178995901        -1.826001649       -0.4233787435    
H          2.385430888       -0.5104751697       -0.1474497204    
H         0.6434812672         1.076218403       -0.9329579929    
H         -1.708117565        0.7666380679       -0.3734041189    
H         -1.364061827         2.279698393       -0.1793549650    
H         -2.368131375        -1.185709570        0.9466190773    
H         -3.342165846        -1.006847514       -0.2600457974    
H          1.763493741        -2.216498869         1.492664595    
H        -0.5938508179        -2.562286716         2.005791676    
H         -1.964922621        -2.983644455         2.669905608    
H          2.039686453         1.661228690        -1.388277028    
    18
Energy=    -6256.64122782523    
O         -1.077209684         1.524462626       -0.7169258825    
O          2.793532069        -1.345829711        0.3259388108    
O          1.649587103        0.8300261992        -1.072070593    
O         -2.793993510       -0.4627493658        0.3264747929    
O          1.179861186        -2.673023848         2.228424201    
O         -1.631237946        -2.513297572         1.888592265    
H          1.628753676        -2.389774593         3.040624847    
H          3.179018911        -1.825921152       -0.4234151451    
H          2.385379599       -0.5104596192       -0.1474209866    
H         0.6434749216         1.076267994       -0.9329814923    
H         -1.708121597        0.7665845892       -0.3734994813    
H         -1.364135144         2.279655455       -0.1795048306    
H         -2.368133270        -1.185717739        0.9466294966    
H         -3.342125205        -1.006900023       -0.2600777782    
H          1.763499791        -2.216557169         1.492624584    
H        -0.5938922141        -2.562304539         2.005847445    
H         -1.964953049        -2.983334080         2.670144419    
H          2.039726346         1.661369104        -1.388080274    
    18
Energy=    -6256.64123728918    
O         -1.077291896         1.524369514       -0.7172704378    
O          2.793462826        -1.345848575        0.3258767506    
O          1.649626535        0.8302033719        -1.071944421    
O         -2.793930587       -0.4627226521        0.3264886723    
O          1.179902398        -2.673264046         2.228339038    
O         -1.631243198        -2.513115447         1.888797846    
H          1.629005466        -2.390332132         3.040536053    
H          3.178981608        -1.825806083       -0.4235255060    
H          2.385266742       -0.5104435913       -0.1473793986    
H         0.6434585234         1.076337378       -0.9330795622    
H         -1.708134900        0.7664822406       -0.3737226519    
H         -1.364299481         2.279600588       -0.1799736932    
H         -2.368106825        -1.185658759        0.9467194802    
H         -3.342112380        -1.006912204       -0.2599840342    
H          1.763530126        -2.216695463         1.492579566    
H        -0.5939196614        -2.562305252         2.005999604    
H         -1.965007166        -2.983068315         2.670387718    
H          2.039843853         1.661675985        -1.387520625    
    18
Energy=    -6256.64125444482    
O         -1.077426092         1.524220660       -0.7178989017    
O          2.793347861        -1.345876197        0.3257831384    
O          1.649677802        0.8304424738        -1.071800944    
O         -2.793825387       -0.4626060841        0.3265953049    
O          1.180006404        -2.673629613         2.228263637    
O         -1.631209928        -2.512805368         1.889127006    
H          1.629363280        -2.391099986         3.040450851    
H          3.178849447        -1.825672480       -0.4237133106    
H          2.385114892       -0.5104118392       -0.1473376382    
H         0.6434218742         1.076425865       -0.9332854838    
H         -1.708163762        0.7663504829       -0.3740988017    
H         -1.364550841         2.279534634       -0.1808191425    
H         -2.368024040        -1.185483421        0.9469216275    
H         -3.342154410        -1.006859844       -0.2596846823    
H          1.763574502        -2.216913008         1.492551521    
H        -0.5939114696        -2.562270240         2.006299834    
H         -1.965109477        -2.983011095         2.670513520    
H          2.040051328         1.662161617        -1.386543137    
    18
Energy=    -6256.64128079183    
O         -1.077586688         1.524069257       -0.7187779569    
O          2.793189105        -1.345894181        0.3256853720    
O          1.649720715        0.8305989171        -1.071816000    
O         -2.793695835       -0.4622856708        0.3269280444    
O          1.180171708        -2.673983913         2.228292548    
O         -1.631098075        -2.512384887         1.889556461    
H          1.629644240        -2.391685433         3.040485734    
H          3.178555991        -1.825602359       -0.4239136491    
H          2.384973097       -0.5103570255       -0.1473114957    
H         0.6433808966         1.076452202       -0.9336713550    
H         -1.708186161        0.7662532958       -0.3745784243    
H         -1.364819722         2.279510830       -0.1819648162    
H         -2.367879902        -1.185105380        0.9473257952    
H         -3.342287520        -1.006614788       -0.2590379826    
H          1.763650369        -2.217131431         1.492590599    
H        -0.5937986649        -2.562123726         2.006744072    
H         -1.965247872        -2.983903280         2.670068961    
H          2.040346301         1.662684128        -1.385281508    
    18
Energy=    -6256.64128659571    
O         -1.077604861         1.524049605       -0.7188594877    
O          2.793163713        -1.345904558        0.3256751351    
O          1.649720790        0.8306016315        -1.071843506    
O         -2.793690371       -0.4622401480        0.3269895655    
O          1.180184069        -2.673978087         2.228316768    
O         -1.631079726        -2.512354664         1.889587484    
H          1.629680536        -2.391726079         3.040510905    
H          3.178560804        -1.825590820       -0.4239366228    
H          2.384958697       -0.5103553141       -0.1473214652    
H         0.6433736293         1.076452892       -0.9337151093    
H         -1.708194923        0.7662658374       -0.3745930287    
H         -1.364811795         2.279499830       -0.1820599901    
H         -2.367863645        -1.185057249        0.9473698894    
H         -3.342288234        -1.006575210       -0.2589801906    
H          1.763648724        -2.217129012         1.492623001    
H        -0.5937953297        -2.562120439         2.006808234    
H         -1.965291956        -2.984062282         2.669955771    
H          2.040361864         1.662720624        -1.385202954    
    18
Energy=    -6256.64131299577    
O         -1.077704152         1.523973140       -0.7195210851    
O          2.793001434        -1.345937988        0.3256410881    
O          1.649724686        0.8305357508        -1.072128313    
O         -2.793650855       -0.4618043303        0.3275034371    
O          1.180343458        -2.674016129         2.228567893    
O         -1.630904674        -2.512087086         1.889797934    
H          1.629748312        -2.391684791         3.040775752    
H          3.178282681        -1.825659727       -0.4240405413    
H          2.384923976       -0.5103225213       -0.1473551509    
H         0.6433549506         1.076373695       -0.9341327092    
H         -1.708229573        0.7663304260       -0.3748323443    
H         -1.364888586         2.279550260       -0.1828948002    
H         -2.367718394        -1.184605181        0.9478154620    
H         -3.342442950        -1.006168605       -0.2582457513    
H          1.763699198        -2.217181750         1.492813037    
H        -0.5936186666        -2.561926701         2.007213086    
H         -1.965440099        -2.985832316         2.668793886    
H          2.040551238         1.662960409        -1.384446482    
    18
Energy=    -6256.64132614618    
O         -1.077658116         1.524058903       -0.7194379862    
O          2.792991067        -1.345895520        0.3257060082    
O          1.649694002        0.8303361216        -1.072447593    
O         -2.793697436       -0.4616660932        0.3276720746    
O          1.180337113        -2.673798275         2.228746365    
O         -1.630852059        -2.512113755         1.889747989    
H          1.629582136        -2.391254572         3.040969754    
H          3.178247919        -1.825743652       -0.4239214767    
H          2.384964503       -0.5103108035       -0.1473859274    
H         0.6433862002         1.076304277       -0.9342843728    
H         -1.708200642        0.7664445358       -0.3747499444    
H         -1.364743201         2.279605539       -0.1827050548    
H         -2.367739866        -1.184507255        0.9479003650    
H         -3.342533911        -1.005991398       -0.2580534731    
H          1.763682845        -2.217036230         1.492950833    
H        -0.5935474546        -2.561815086         2.007258677    
H         -1.965436377        -2.986874446         2.668103313    
H          2.040555262         1.662754265        -1.384745153    
    18
Energy=    -6256.64134260509    
O         -1.077531075         1.524210081       -0.7191162238    
O          2.792959507        -1.345758540        0.3258217695    
O          1.649651192        0.8300140752        -1.072913857    
O         -2.793795065       -0.4615305227        0.3278178194    
O          1.180296028        -2.673416066         2.228986075    
O         -1.630850058        -2.512226982         1.889629821    
H          1.629369928        -2.390684020         3.041245821    
H          3.178298193        -1.825820990       -0.4236510951    
H          2.385018288       -0.5102557830       -0.1474933086    
H         0.6434468383         1.076158045       -0.9344587234    
H         -1.708140216        0.7666225003       -0.3745249121    
H         -1.364458387         2.279697555       -0.1821846451    
H         -2.367833971        -1.184438665        0.9479534397    
H         -3.342609727        -1.005810002       -0.2579601299    
H          1.763646251        -2.216733775         1.493152839    
H        -0.5935331524        -2.561672995         2.007255008    
H         -1.965413275        -2.988194534         2.667244935    
H          2.040510683         1.662337177        -1.385480234    
    18
Energy=    -6256.64135750244    
O         -1.077391345         1.524325836       -0.7187306121    
O          2.792920999        -1.345617518        0.3259629384    
O          1.649619704        0.8297680004        -1.073383766    
O         -2.793908958       -0.4614540384        0.3279049668    
O          1.180216434        -2.673070716         2.229206913    
O         -1.630869328        -2.512320878         1.889490253    
H          1.629283801        -2.390380262         3.041491245    
H          3.178389861        -1.825848989       -0.4233388241    
H          2.385023388       -0.5102122306       -0.1475826674    
H         0.6435035672         1.076062345       -0.9346233576    
H         -1.708087888        0.7667672312       -0.3742606392    
H         -1.364191150         2.279785774       -0.1816549414    
H         -2.367954058        -1.184421478        0.9479535062    
H         -3.342628582        -1.005693501       -0.2579755636    
H          1.763585297        -2.216439363         1.493343522    
H        -0.5935491313        -2.561540550         2.007227255    
H         -1.965376630        -2.989186892         2.666573695    
H          2.040446000         1.661973786        -1.386279525    
    18
Energy=    -6256.64137860428    
O         -1.077159935         1.524422440       -0.7182397993    
O          2.792780400        -1.345260535        0.3261966719    
O          1.649595967        0.8294676433        -1.074083550    
O         -2.794057941       -0.4613247948        0.3279970736    
O          1.180100136        -2.672684264         2.229456215    
O         -1.630962542        -2.512343781         1.889434889    
H          1.629429050        -2.390519866         3.041803941    
H          3.178513243        -1.825738344       -0.4228114575    
H          2.384908353       -0.5100652695       -0.1477549455    
H         0.6435757353         1.075890107       -0.9349439045    
H         -1.707991927        0.7669259419       -0.3738963560    
H         -1.363815451         2.279924838       -0.1811153048    
H         -2.368166513        -1.184350427        0.9480008916    
H         -3.342597298        -1.005571231       -0.2580734686    
H          1.763484512        -2.215969321         1.493645309    
H        -0.5936567802        -2.561319421         2.007274664    
H         -1.965349411        -2.990536745         2.665767965    
H          2.040402385         1.661549584        -1.387334437    
    18
Energy=    -6256.64138993478    
O         -1.077053977         1.524412050       -0.7180284743    
O          2.792628001        -1.345005475        0.3264641135    
O          1.649588632        0.8296070111        -1.074629122    
O         -2.794255509       -0.4614412332        0.3278060709    
O          1.180005216        -2.672733157         2.229620600    
O         -1.631073634        -2.512292461         1.889494095    
H          1.630351086        -2.392088736         3.041915219    
H          3.178708248        -1.825440791       -0.4223436750    
H          2.384696974       -0.5099616557       -0.1477438399    
H         0.6436171186         1.076132211       -0.9352804417    
H         -1.707965134        0.7669473027       -0.3737613327    
H         -1.363747072         2.280049372       -0.1810745659    
H         -2.368403522        -1.184345622        0.9479032635    
H         -3.342583124        -1.005677885       -0.2583413305    
H          1.763262371        -2.215774569         1.493834762    
H        -0.5938051543        -2.561203755         2.007453544    
H         -1.965370736        -2.990321920         2.665910971    
H          2.040432198         1.661635870        -1.387875457    
    18
Energy=    -6256.64140080531    
O         -1.077076394         1.524341188       -0.7182057278    
O          2.792608760        -1.345010217        0.3263728704    
O          1.649612000        0.8295886053        -1.074439215    
O         -2.794167594       -0.4613277265        0.3279210250    
O          1.180059205        -2.672797233         2.229535600    
O         -1.631038971        -2.512206967         1.889562476    
H          1.630203316        -2.391867094         3.041867073    
H          3.178581999        -1.825478638       -0.4224777300    
H          2.384657640       -0.5099666496       -0.1477859186    
H         0.6435963421         1.076005903       -0.9352195564    
H         -1.707963313        0.7669102204       -0.3738182181    
H         -1.363816798         2.280043938       -0.1813986792    
H         -2.368329000        -1.184273067        0.9480094180    
H         -3.342573736        -1.005612784       -0.2582275578    
H          1.763359188        -2.215821483         1.493810201    
H        -0.5937731118        -2.561228273         2.007450850    
H         -1.965369568        -2.990502888         2.665866885    
H          2.040462019         1.661699723        -1.387499396    
    18
Energy=    -6256.64140154115    
O         -1.077131429         1.524266022       -0.7184081991    
O          2.792583481        -1.345006156        0.3263393413    
O          1.649640466        0.8297317048        -1.074250740    
O         -2.794122260       -0.4613686220        0.3278493958    
O          1.180095900        -2.673014508         2.229411718    
O         -1.631050801        -2.512123217         1.889672517    
H          1.630408863        -2.392353616         3.041742252    
H          3.178517624        -1.825416069       -0.4225661362    
H          2.384618678       -0.5099318653       -0.1477464434    
H         0.6435766886         1.076055550       -0.9351732058    
H         -1.707991152        0.7668355536       -0.3739559235    
H         -1.363969955         2.280020307       -0.1817451308    
H         -2.368286457        -1.184265161        0.9480059555    
H         -3.342550626        -1.005706571       -0.2582526444    
H          1.763370826        -2.215943649         1.493732466    
H        -0.5937883243        -2.561280120         2.007491239    
H         -1.965389060        -2.989924990         2.666278096    
H          2.040499521         1.661921963        -1.387100159    
    18
Energy=    -6256.64140243179    
O         -1.077165286         1.524226014       -0.7185342595    
O          2.792554738        -1.345010109        0.3263336250    
O          1.649652772        0.8298197057        -1.074173768    
O         -2.794102505       -0.4613726888        0.3278284286    
O          1.180125520        -2.673149690         2.229370553    
O         -1.631039170        -2.512066637         1.889730974    
H          1.630559698        -2.392657092         3.041690109    
H          3.178487132        -1.825387143       -0.4225887486    
H          2.384579241       -0.5099271364       -0.1477263996    
H         0.6435655467         1.076102618       -0.9351712592    
H         -1.708010331        0.7668054432       -0.3740203651    
H         -1.364072510         2.280038691       -0.1819956414    
H         -2.368266872        -1.184240281        0.9480167751    
H         -3.342554416        -1.005728814       -0.2582421110    
H          1.763369351        -2.216018857         1.493707280    
H        -0.5937806675        -2.561302479         2.007529349    
H         -1.965394120        -2.989689776         2.666451128    
H          2.040523864         1.662054787        -1.386881271    
    18
Energy=    -6256.64140359528    
O         -1.077197936         1.524208629       -0.7186352994    
O          2.792528916        -1.344998293        0.3263449789    
O          1.649658662        0.8298930848        -1.074111705    
O         -2.794085714       -0.4613883568        0.3277884585    
O          1.180149955        -2.673273877         2.229329896    
O         -1.631035143        -2.512028146         1.889783375    
H          1.630698966        -2.392951132         3.041642897    
H          3.178471856        -1.825357919       -0.4225818796    
H          2.384554415       -0.5099088428       -0.1477046351    
H         0.6435545263         1.076146397       -0.9351637879    
H         -1.708029821        0.7667903478       -0.3740813843    
H         -1.364146802         2.280049467       -0.1821646658    
H         -2.368252681        -1.184228300        0.9480101158    
H         -3.342560852        -1.005757184       -0.2582504308    
H          1.763361722        -2.216084901         1.493680688    
H        -0.5937768732        -2.561325532         2.007554209    
H         -1.965393019        -2.989444467         2.666628928    
H          2.040531804         1.662155582        -1.386745361    
    18
Energy=    -6256.64140741020    
O         -1.077266237         1.524228514       -0.7187905148    
O          2.792485119        -1.344977613        0.3264029724    
O          1.649637752        0.8299689213        -1.074055756    
O         -2.794055897       -0.4613640901        0.3277740704    
O          1.180198211        -2.673451643         2.229308617    
O         -1.630997859        -2.511989955         1.889825646    
H          1.630881823        -2.393299012         3.041608560    
H          3.178453132        -1.825358118       -0.4224975445    
H          2.384519398       -0.5098967985       -0.1476606996    
H         0.6435234047         1.076201429       -0.9351644370    
H         -1.708068473        0.7668181548       -0.3741476026    
H         -1.364235768         2.280108800       -0.1823959470    
H         -2.368226437        -1.184195807        0.9480054678    
H         -3.342591355        -1.005717113       -0.2582206289    
H          1.763361979        -2.216183361         1.493678938    
H        -0.5937413058        -2.561359221         2.007561862    
H         -1.965349831        -2.989282315         2.666753614    
H          2.040504328         1.662245785        -1.386662218    
    18
Energy=    -6256.64141015630    
O         -1.077373898         1.524320441       -0.7190309153    
O          2.792421675        -1.344886551        0.3265461283    
O          1.649571115        0.8300415061        -1.074007743    
O         -2.793958681       -0.4613195724        0.3277853954    
O          1.180257870        -2.673739822         2.229239902    
O         -1.630985786        -2.511936467         1.889979410    
H          1.631104456        -2.393863766         3.041528885    
H          3.178593246        -1.825280346       -0.4222247971    
H          2.384481617       -0.5098330101       -0.1476256109    
H         0.6434163233         1.076256765       -0.9351897036    
H         -1.708130600        0.7669375733       -0.3742931311    
H         -1.364249621         2.280222938       -0.1826124747    
H         -2.368188935        -1.184132903        0.9480534367    
H         -3.342544117        -1.005622652       -0.2582310279    
H          1.763306783        -2.216291002         1.493620777    
H        -0.5937154646        -2.561418261         2.007652740    
H         -1.965343503        -2.989237790         2.666910154    
H          2.040369502         1.662279477        -1.386777025    
    18
Energy=    -6256.64141408714    
O         -1.077395212         1.524387163       -0.7190369502    
O          2.792404570        -1.344895408        0.3265922266    
O          1.649519002        0.8299957134        -1.074002481    
O         -2.793956257       -0.4612602673        0.3278320327    
O          1.180273267        -2.673721699         2.229301630    
O         -1.630922161        -2.511989930         1.889895753    
H          1.631054452        -2.393682004         3.041580728    
H          3.178604959        -1.825336037       -0.4221502605    
H          2.384480692       -0.5098623685       -0.1475977478    
H         0.6433889634         1.076225139       -0.9351963319    
H         -1.708151319        0.7670011287       -0.3742662083    
H         -1.364190722         2.280264842       -0.1825528300    
H         -2.368173706        -1.184144765        0.9480312441    
H         -3.342612924        -1.005489860       -0.2581611579    
H          1.763335365        -2.216312306         1.493677843    
H        -0.5936622119        -2.561424453         2.007599741    
H         -1.965271676        -2.989448169         2.666723030    
H          2.040306904         1.662189837        -1.386945863    
    18
Energy=    -6256.64141465648    
O         -1.077376378         1.524439721       -0.7189560599    
O          2.792425513        -1.344902437        0.3266148151    
O          1.649478886        0.8298913953        -1.074066792    
O         -2.793959004       -0.4612019495        0.3279108977    
O          1.180251931        -2.673587845         2.229370939    
O         -1.630895714        -2.512054066         1.889808182    
H          1.630875563        -2.393295767         3.041655806    
H          3.178648840        -1.825379596       -0.4220962761    
H          2.384495094       -0.5098931543       -0.1476110840    
H         0.6433694010         1.076159123       -0.9352051180    
H         -1.708142189        0.7670554063       -0.3742117042    
H         -1.364054111         2.280263325       -0.1823304791    
H         -2.368177700        -1.184155867        0.9480349830    
H         -3.342634097        -1.005370339       -0.2581156325    
H          1.763354256        -2.216247684         1.493728335    
H        -0.5936358642        -2.561408775         2.007557307    
H         -1.965237009        -2.989843207         2.666432217    
H          2.040244567         1.662028272        -1.387195938    
    18
Energy=    -6256.64141506825    
O         -1.077375965         1.524500379       -0.7189089576    
O          2.792446613        -1.344888847        0.3266595547    
O          1.649428270        0.8298048889        -1.074116227    
O         -2.793949537       -0.4611418891        0.3279908575    
O          1.180238761        -2.673510234         2.229420203    
O         -1.630873858        -2.512099214         1.889741669    
H          1.630734228        -2.393040971         3.041717514    
H          3.178710638        -1.825391838       -0.4220140155    
H          2.384504849       -0.5099107451       -0.1476128237    
H         0.6433308015         1.076111969       -0.9352225081    
H         -1.708137348        0.7671149401       -0.3741767798    
H         -1.363933894         2.280273373       -0.1821438085    
H         -2.368168641        -1.184154797        0.9480460067    
H         -3.342631758        -1.005254293       -0.2580799619    
H          1.763368387        -2.216198843         1.493772497    
H        -0.5936139234        -2.561410272         2.007533050    
H         -1.965213124        -2.990177321         2.666184580    
H          2.040167485         1.661870271        -1.387466452    
    18
Energy=    -6256.64141596024    
O         -1.077386125         1.524568078       -0.7188790965    
O          2.792469357        -1.344853055        0.3267311299    
O          1.649361046        0.8297279083        -1.074153891    
O         -2.793936422       -0.4610708850        0.3280702913    
O          1.180241517        -2.673486722         2.229469189    
O         -1.630840654        -2.512134546         1.889658920    
H          1.630622344        -2.392890653         3.041788045    
H          3.178779085        -1.825371394       -0.4219093890    
H          2.384499085       -0.5099167157       -0.1475910957    
H         0.6432727384         1.076082668       -0.9352360302    
H         -1.708137607        0.7671790737       -0.3741472220    
H         -1.363824202         2.280290578       -0.1819749699    
H         -2.368141144        -1.184139834        0.9480462008    
H         -3.342635158        -1.005131255       -0.2580331606    
H          1.763395070        -2.216170590         1.493835153    
H        -0.5935826906        -2.561432080         2.007501835    
H         -1.965196982        -2.990447841         2.665945764    
H          2.040072724         1.661693822        -1.387797275    
    18
Energy=    -6256.64141835937    
O         -1.077424023         1.524724414       -0.7188357237    
O          2.792523655        -1.344734684        0.3269242661    
O          1.649197774        0.8295793426        -1.074200651    
O         -2.793888748       -0.4609289614        0.3282031767    
O          1.180264286        -2.673530661         2.229537551    
O         -1.630776980        -2.512201892         1.889487941    
H          1.630467999        -2.392824070         3.041913572    
H          3.178949352        -1.825246748       -0.4216557500    
H          2.384469746       -0.5098951023       -0.1474984917    
H         0.6431323246         1.076050028       -0.9352486167    
H         -1.708153182        0.7673219941       -0.3741045631    
H         -1.363630064         2.280360878       -0.1816808087    
H         -2.368055197        -1.184098917        0.9480336187    
H         -3.342630894        -1.004899598       -0.2579426657    
H          1.763454377        -2.216151536         1.493966557    
H        -0.5935300639        -2.561500263         2.007430286    
H         -1.965182383        -2.990829682         2.665554641    
H          2.039844004         1.661302014        -1.388559940    
    18
Energy=    -6256.64142126910    
O         -1.077477268         1.524918219       -0.7187982390    
O          2.792571638        -1.344549340        0.3272111030    
O          1.648994376        0.8294348241        -1.074242992    
O         -2.793823114       -0.4607650049        0.3283085841    
O          1.180318101        -2.673723562         2.229610842    
O         -1.630671328        -2.512260161         1.889248921    
H          1.630364231        -2.393005883         3.042074334    
H          3.179174602        -1.824999862       -0.4213236326    
H          2.384396101       -0.5098263487       -0.1473080079    
H         0.6429524135         1.076038457       -0.9352214314    
H         -1.708186414        0.7675056066       -0.3740456550    
H         -1.363464804         2.280451154       -0.1813780796    
H         -2.367931655        -1.184024316        0.9479905034    
H         -3.342675631        -1.004646793       -0.2578150672    
H          1.763544226        -2.216196299         1.494153252    
H        -0.5934306904        -2.561619206         2.007301796    
H         -1.965183474        -2.991044427         2.665166038    
H          2.039560673         1.660809497        -1.389607872    
    18
Energy=    -6256.64142663450    
O         -1.077572027         1.525220965       -0.7186953371    
O          2.792699488        -1.344262757        0.3276116862    
O          1.648728237        0.8292096778        -1.074272423    
O         -2.793715963       -0.4606123290        0.3283829287    
O          1.180379515        -2.673983451         2.229605279    
O         -1.630606366        -2.512367878         1.888994705    
H          1.630323571        -2.393504827         3.042192347    
H          3.179476441        -1.824609851       -0.4208707114    
H          2.384349294       -0.5096973253       -0.1470292554    
H         0.6427620333         1.076063604       -0.9351915810    
H         -1.708238130        0.7677612095       -0.3739761223    
H         -1.363360787         2.280702529       -0.1811004702    
H         -2.367779965        -1.183944191        0.9479668473    
H         -3.342646838        -1.004444233       -0.2577169849    
H          1.763641598        -2.216278963         1.494321548    
H        -0.5933965433        -2.561772575         2.007147313    
H         -1.965211034        -2.991120681         2.664895096    
H          2.039199459         1.660137632        -1.390940465    
    18
Energy=    -6256.64142845172    
O         -1.077588062         1.525190293       -0.7187899669    
O          2.792656613        -1.344215996        0.3276616374    
O          1.648744762        0.8292956297        -1.074203692    
O         -2.793713242       -0.4606388894        0.3283064553    
O          1.180414013        -2.674197124         2.229550109    
O         -1.630578739        -2.512318174         1.889006552    
H          1.630534937        -2.394033043         3.042155189    
H          3.179495911        -1.824476358       -0.4208604559    
H          2.384295458       -0.5096357581       -0.1469417913    
H         0.6427677881         1.076123896       -0.9351511063    
H         -1.708269541        0.7677443942       -0.3740285652    
H         -1.363504679         2.280721385       -0.1813361741    
H         -2.367758377        -1.183912518        0.9479477013    
H         -3.342703498        -1.004510606       -0.2576981238    
H          1.763644416        -2.216383609         1.494304168    
H        -0.5933635163        -2.561829912         2.007140307    
H         -1.965244192        -2.990645066         2.665143384    
H          2.039201933         1.660218012        -1.390881229    
    18
Energy=    -6256.64143047144    
O         -1.077585664         1.525157412       -0.7187845169    
O          2.792656935        -1.344225302        0.3276359684    
O          1.648798818        0.8293443763        -1.074182511    
O         -2.793728633       -0.4607079707        0.3282261157    
O          1.180405504        -2.674236986         2.229492076    
O         -1.630607168        -2.512299368         1.889041928    
H          1.630632255        -2.394227323         3.042094673    
H          3.179470503        -1.824454824       -0.4209196218    
H          2.384313477       -0.5096132914       -0.1469181970    
H         0.6428242437         1.076148378       -0.9351250406    
H         -1.708271759        0.7677106657       -0.3740294210    
H         -1.363631929         2.280723181       -0.1814544862    
H         -2.367778291        -1.183927556        0.9479373436    
H         -3.342714571        -1.004635939       -0.2577300606    
H          1.763627122        -2.216413247         1.494254052    
H        -0.5933850995        -2.561828353         2.007131919    
H         -1.965267159        -2.990334233         2.665366718    
H          2.039273398         1.660316938        -1.390712540    
    18
Energy=    -6256.64143109681    
O         -1.077593980         1.525138997       -0.7188188766    
O          2.792651971        -1.344221401        0.3276436748    
O          1.648818701        0.8293606430        -1.074164830    
O         -2.793732046       -0.4607217543        0.3282180755    
O          1.180400150        -2.674277024         2.229447037    
O         -1.630622072        -2.512292202         1.889070669    
H          1.630683294        -2.394352989         3.042046882    
H          3.179503205        -1.824414214       -0.4209178259    
H          2.384321739       -0.5095934838       -0.1468935432    
H         0.6428412026         1.076144191       -0.9351296252    
H         -1.708286059        0.7677046508       -0.3740449843    
H         -1.363676513         2.280731744       -0.1815479014    
H         -2.367792715        -1.183929517        0.9479578669    
H         -3.342714173        -1.004662213       -0.2577279260    
H          1.763610668        -2.216429891         1.494214707    
H        -0.5933980195        -2.561831197         2.007133376    
H         -1.965273459        -2.990216169         2.665470351    
H          2.039290090         1.660358385        -1.390632729    
    18
Energy=    -6256.64143347627    
O         -1.077614266         1.525129323       -0.7188586216    
O          2.792677427        -1.344190350        0.3276973266    
O          1.648844192        0.8293508533        -1.074169301    
O         -2.793757120       -0.4607235358        0.3282488750    
O          1.180386057        -2.674330465         2.229371166    
O         -1.630643501        -2.512299652         1.889074291    
H          1.630731808        -2.394516241         3.041974973    
H          3.179607545        -1.824330386       -0.4208581656    
H          2.384355053       -0.5095554124       -0.1468314910    
H         0.6428678206         1.076113594       -0.9351525965    
H         -1.708314949        0.7677204885       -0.3740637358    
H         -1.363740941         2.280756591       -0.1816644614    
H         -2.367830190        -1.183929449        0.9480042965    
H         -3.342758644        -1.004672538       -0.2576671174    
H          1.763599788        -2.216446053         1.494163046    
H        -0.5934160560        -2.561846340         2.007098879    
H         -1.965281297        -2.990097402         2.665561767    
H          2.039319255         1.660363530        -1.390604733    
    18
Energy=    -6256.64143522302    
O         -1.077638694         1.525068299       -0.7189430327    
O          2.792734623        -1.344119655        0.3278037562    
O          1.648863471        0.8292970207        -1.074208446    
O         -2.793826438       -0.4606537182        0.3283844547    
O          1.180343281        -2.674361989         2.229268040    
O         -1.630674121        -2.512330878         1.889026680    
H          1.630731999        -2.394668491         3.041890479    
H          3.179868709        -1.824162033       -0.4207063026    
H          2.384400296       -0.5095063816       -0.1467454055    
H         0.6428848018         1.076037021       -0.9352364670    
H         -1.708357804        0.7677178324       -0.3740569404    
H         -1.363723759         2.280735079       -0.1817905154    
H         -2.367887039        -1.183902542        0.9480969451    
H         -3.342862410        -1.004585308       -0.2575123760    
H          1.763573239        -2.216426028         1.494099043    
H        -0.5934373195        -2.561871141         2.007030963    
H         -1.965278286        -2.990087910         2.665555839    
H          2.039317433         1.660317380        -1.390632315    
    18
Energy=    -6256.64143749936    
O         -1.077764410         1.524932359       -0.7192887471    
O          2.792869124        -1.343937723        0.3280859142    
O          1.648909290        0.8292540161        -1.074156231    
O         -2.793946763       -0.4605016359        0.3287054524    
O          1.180348299        -2.674674888         2.228982869    
O         -1.630664031        -2.512337202         1.888936852    
H          1.630847025        -2.395334722         3.041673554    
H          3.180354478        -1.823829402       -0.4203631584    
H          2.384475207       -0.5093790629       -0.1465547827    
H         0.6429103084         1.075938673       -0.9353592377    
H         -1.708477043        0.7676741529       -0.3742342061    
H         -1.363974280         2.280786439       -0.1824555405    
H         -2.367976388        -1.183802645        0.9483284872    
H         -3.343269669        -1.004343846       -0.2569983407    
H          1.763634615        -2.216520769         1.493960017    
H        -0.5934338330        -2.561955169         2.006821701    
H         -1.965237073        -2.989787646         2.665670638    
H          2.039427126         1.660315627        -1.390430841    
    18
Energy=    -6256.64144259039    
O         -1.077735725         1.524904175       -0.7192486983    
O          2.793003705        -1.343838024        0.3281979626    
O          1.648860986        0.8290930651        -1.074295475    
O         -2.794063326       -0.4603543794        0.3289172369    
O          1.180308054        -2.674513486         2.229010284    
O         -1.630678114        -2.512454855         1.888739279    
H          1.630640289        -2.394961073         3.041714085    
H          3.180702573        -1.823733141       -0.4201184573    
H          2.384536492       -0.5093941419       -0.1465570498    
H         0.6428704349         1.075819665       -0.9354390594    
H         -1.708501237        0.7677193881       -0.3741363217    
H         -1.363708105         2.280712934       -0.1822454412    
H         -2.368028602        -1.183761847        0.9483718379    
H         -3.343494114        -1.004125235       -0.2567480180    
H          1.763647745        -2.216417685         1.493999671    
H        -0.5934405362        -2.562011436         2.006712888    
H         -1.965246299        -2.990257761         2.665253058    
H          2.039357762         1.660070394        -1.390803383    
    18
Energy=    -6256.64144603445    
O         -1.077718209         1.524779837       -0.7193024200    
O          2.793173298        -1.343697059        0.3283437422    
O          1.648807947        0.8289323990        -1.074422741    
O         -2.794212604       -0.4601268337        0.3292345738    
O          1.180282040        -2.674413689         2.229001425    
O         -1.630668794        -2.512552423         1.888516919    
H          1.630384838        -2.394620833         3.041745689    
H          3.181127323        -1.823605931       -0.4198180378    
H          2.384587447       -0.5094103437       -0.1465787214    
H         0.6428104713         1.075703390       -0.9355483045    
H         -1.708522920        0.7676860132       -0.3740555298    
H         -1.363469966         2.280616890       -0.1822205635    
H         -2.368071907        -1.183657580        0.9484638623    
H         -3.343852371        -1.003788248       -0.2563399997    
H          1.763693257        -2.216333016         1.494041513    
H        -0.5934291945        -2.562066522         2.006561266    
H         -1.965215088        -2.990794594         2.664757391    
H          2.039326414         1.659845100        -1.391055665    
    18
Energy=    -6256.64144738777    
O         -1.077714096         1.524639312       -0.7193812250    
O          2.793321897        -1.343569093        0.3284678568    
O          1.648787510        0.8288307590        -1.074504277    
O         -2.794323556       -0.4599649278        0.3294654005    
O          1.180269807        -2.674392649         2.228933424    
O         -1.630676964        -2.512620110         1.888369653    
H          1.630248399        -2.394542953         3.041722375    
H          3.181466238        -1.823501056       -0.4195820655    
H          2.384652423       -0.5093925319       -0.1465889372    
H         0.6427830788         1.075615592       -0.9356171224    
H         -1.708553491        0.7676149164       -0.3740150644    
H         -1.363387630         2.280565170       -0.1823829770    
H         -2.368112251        -1.183564222        0.9485564542    
H         -3.344187152        -1.003537621       -0.2559858444    
H          1.763743551        -2.216284453         1.494041034    
H        -0.5934362491        -2.562096825         2.006414347    
H         -1.965189779        -2.991047719         2.664505419    
H          2.039340247         1.659744968        -1.391094052    
    18
Energy=    -6256.64144933771    
O         -1.077693360         1.524456463       -0.7195035156    
O          2.793460294        -1.343433455        0.3285650584    
O          1.648806307        0.8287981938        -1.074580722    
O         -2.794416647       -0.4598609089        0.3296084931    
O          1.180261698        -2.674431150         2.228791964    
O         -1.630703957        -2.512643951         1.888335162    
H          1.630193866        -2.394702301         3.041645346    
H          3.181770798        -1.823371607       -0.4193939749    
H          2.384741526       -0.5093273433       -0.1465776775    
H         0.6427826288         1.075523650       -0.9356859081    
H         -1.708565928        0.7675029884       -0.3740395581    
H         -1.363386380         2.280500047       -0.1826461177    
H         -2.368185134        -1.183498458        0.9486433089    
H         -3.344530040        -1.003350259       -0.2556814887    
H          1.763782869        -2.216268215         1.493991893    
H        -0.5934687043        -2.562112681         2.006307090    
H         -1.965194948        -2.991065987         2.664486206    
H          2.039377096         1.659781532        -1.390941160    
    18
Energy=    -6256.64144983528    
O         -1.077673382         1.524393069       -0.7194837058    
O          2.793533049        -1.343355901        0.3286241610    
O          1.648821180        0.8287594295        -1.074632326    
O         -2.794457907       -0.4598340797        0.3296555323    
O          1.180236561        -2.674460402         2.228704672    
O         -1.630752093        -2.512667971         1.888340281    
H          1.630163237        -2.394817665         3.041587979    
H          3.181948396        -1.823283756       -0.4192983104    
H          2.384795072       -0.5092810303       -0.1465734254    
H         0.6428019074         1.075486033       -0.9356994549    
H         -1.708577368        0.7674595443       -0.3739872251    
H         -1.363416330         2.280516469       -0.1827847461    
H         -2.368226629        -1.183470814        0.9486832313    
H         -3.344627149        -1.003298838       -0.2556108042    
H          1.763794987        -2.216255848         1.493951637    
H        -0.5935059229        -2.562129022         2.006262514    
H         -1.965204906        -2.991038397         2.664539065    
H          2.039379281         1.659775736        -1.390954675    
    18
Energy=    -6256.64145114948    
O         -1.077661994         1.524374531       -0.7194701840    
O          2.793554177        -1.343346060        0.3286255059    
O          1.648842721        0.8287622009        -1.074653112    
O         -2.794457327       -0.4598452383        0.3296441619    
O          1.180225226        -2.674481203         2.228661659    
O         -1.630780411        -2.512665862         1.888383091    
H          1.630169989        -2.394904873         3.041558141    
H          3.181992847        -1.823256646       -0.4192996541    
H          2.384831420       -0.5092602058       -0.1465654067    
H         0.6428264987         1.075471152       -0.9357013727    
H         -1.708575282        0.7674450931       -0.3739686349    
H         -1.363477122         2.280541939       -0.1828749706    
H         -2.368242771        -1.183474665        0.9486925696    
H         -3.344637467        -1.003302808       -0.2556203460    
H          1.763795830        -2.216262603         1.493926252    
H        -0.5935303031        -2.562132522         2.006272627    
H         -1.965218390        -2.990983340         2.664622065    
H          2.039374342         1.659817668        -1.390907994    
    18
Energy=    -6256.64145443931    
O         -1.077634086         1.524338788       -0.7194356826    
O          2.793629933        -1.343303251        0.3286610810    
O          1.648874749        0.8287422799        -1.074723711    
O         -2.794472727       -0.4598414696        0.3296613263    
O          1.180207934        -2.674504146         2.228595333    
O         -1.630830055        -2.512681581         1.888413210    
H          1.630136230        -2.395016260         3.041531443    
H          3.182134479        -1.823176082       -0.4192548111    
H          2.384926109       -0.5092210172       -0.1465398963    
H         0.6428611618         1.075401688       -0.9357265198    
H         -1.708571919        0.7674334805       -0.3739207133    
H         -1.363529923         2.280562920       -0.1829679053    
H         -2.368285404        -1.183502642        0.9486963204    
H         -3.344722281        -1.003233186       -0.2555993059    
H          1.763817819        -2.216259691         1.493907644    
H        -0.5935776295        -2.562153019         2.006267485    
H         -1.965246873        -2.990945451         2.664696367    
H          2.039314468         1.659855195        -1.390937265    
    18
Energy=    -6256.64145764005    
O         -1.077606513         1.524294350       -0.7194085789    
O          2.793723551        -1.343239707        0.3287093630    
O          1.648902654        0.8287097119        -1.074798873    
O         -2.794523950       -0.4597980637        0.3297226399    
O          1.180203921        -2.674509805         2.228572164    
O         -1.630848981        -2.512712359         1.888374758    
H          1.630060171        -2.395034863         3.041550713    
H          3.182260649        -1.823101709       -0.4191908584    
H          2.384991558       -0.5091900368       -0.1465195577    
H         0.6428862559         1.075326045       -0.9357831782    
H         -1.708549880        0.7674077508       -0.3738765467    
H         -1.363512363         2.280524187       -0.1829510689    
H         -2.368351818        -1.183526221        0.9486819946    
H         -3.344853160        -1.003108288       -0.2555403364    
H          1.763857527        -2.216239019         1.493940197    
H        -0.5935985391        -2.562173245         2.006234472    
H         -1.965256591        -2.990983121         2.664655532    
H          2.039247493         1.659850949        -1.391048436    
    18
Energy=    -6256.64145897255    
O         -1.077598292         1.524310997       -0.7193855285    
O          2.793775019        -1.343182720        0.3287859688    
O          1.648878433        0.8286745893        -1.074857011    
O         -2.794547298       -0.4597739802        0.3297760902    
O          1.180206911        -2.674497481         2.228580492    
O         -1.630844740        -2.512745803         1.888300522    
H          1.630027929        -2.395027212         3.041579764    
H          3.182375303        -1.823059030       -0.4190691313    
H          2.385026841       -0.5091914792       -0.1465040682    
H         0.6428644360         1.075280288       -0.9358073052    
H         -1.708570327        0.7674534038       -0.3738662978    
H         -1.363430437         2.280516738       -0.1828576502    
H         -2.368357662        -1.183544651        0.9486814699    
H         -3.344955289        -1.003011311       -0.2554759412    
H          1.763873859        -2.216206210         1.493972216    
H        -0.5936017650        -2.562201577         2.006201834    
H         -1.965272913        -2.991073100         2.664537739    
H          2.039181977         1.659775094        -1.391268765    
    18
Energy=    -6256.64145879614    
O         -1.077599597         1.524311978       -0.7193832386    
O          2.793759683        -1.343202383        0.3287592174    
O          1.648882962        0.8286824647        -1.074843139    
O         -2.794541752       -0.4597810328        0.3297565282    
O          1.180204867        -2.674483640         2.228590719    
O         -1.630842493        -2.512738015         1.888314113    
H          1.630027251        -2.394992341         3.041581934    
H          3.182316198        -1.823083486       -0.4191150299    
H          2.385012433       -0.5091927911       -0.1465076202    
H         0.6428684691         1.075297590       -0.9358039830    
H         -1.708556452        0.7674375010       -0.3738668689    
H         -1.363435477         2.280506863       -0.1828390735    
H         -2.368358169        -1.183539698        0.9486758086    
H         -3.344914069        -1.003047762       -0.2555042962    
H          1.763871156        -2.216207484         1.493972529    
H        -0.5935979824        -2.562190889         2.006208471    
H         -1.965267931        -2.991065258         2.664551933    
H          2.039202886         1.659784939        -1.391223606    
    18
Energy=    -6256.64145878536    
O         -1.077600029         1.524314232       -0.7193834105    
O          2.793758417        -1.343202260        0.3287599300    
O          1.648881389        0.8286825972        -1.074841995    
O         -2.794541007       -0.4597802397        0.3297564268    
O          1.180204814        -2.674482662         2.228593278    
O         -1.630841785        -2.512738643         1.888313346    
H          1.630024896        -2.394983576         3.041583084    
H          3.182316354        -1.823083008       -0.4191137966    
H          2.385010502       -0.5091925312       -0.1465065052    
H         0.6428665103         1.075299973       -0.9358040483    
H         -1.708555756        0.7674379421       -0.3738680129    
H         -1.363427443         2.280503996       -0.1828269829    
H         -2.368358172        -1.183539503        0.9486751307    
H         -3.344912310        -1.003047649       -0.2555051545    
H          1.763870409        -2.216208326         1.493973461    
H        -0.5935975767        -2.562192400         2.006208189    
H         -1.965268884        -2.991071333         2.664547090    
H          2.039201653         1.659779949        -1.391235630    
    18
Energy=    -6256.64145878862    
O         -1.077599912         1.524315829       -0.7193833237    
O          2.793756891        -1.343200341        0.3287626744    
O          1.648879900        0.8286832050        -1.074840827    
O         -2.794540802       -0.4597786348        0.3297578550    
O          1.180204680        -2.674481837         2.228596264    
O         -1.630841282        -2.512740356         1.888311521    
H          1.630020457        -2.394970640         3.041584429    
H          3.182317943        -1.823080267       -0.4191098197    
H          2.385008890       -0.5091904583       -0.1465035029    
H         0.6428646890         1.075303478       -0.9358037260    
H         -1.708554250        0.7674379876       -0.3738694518    
H         -1.363413641         2.280498762       -0.1828093917    
H         -2.368359425        -1.183539474        0.9486748312    
H         -3.344913048        -1.003044820       -0.2555041447    
H          1.763869572        -2.216208821         1.493975055    
H        -0.5935972999        -2.562196815         2.006206953    
H         -1.965270936        -2.991081925         2.664538553    
H          2.039199556         1.659771684        -1.391259549    
    18
Energy=    -6256.64145892202    
O         -1.077596682         1.524319213       -0.7193807252    
O          2.793762058        -1.343194485        0.3287711151    
O          1.648880204        0.8286827249        -1.074844071    
O         -2.794540563       -0.4597754819        0.3297618180    
O          1.180202351        -2.674476467         2.228598897    
O         -1.630843975        -2.512747814         1.888307393    
H          1.630015161        -2.394956946         3.041585455    
H          3.182323327        -1.823075898       -0.4191003396    
H          2.385014530       -0.5091861132       -0.1464972924    
H         0.6428639168         1.075304174       -0.9358056005    
H         -1.708553094        0.7674395164       -0.3738704547    
H         -1.363398445         2.280494295       -0.1827887626    
H         -2.368360692        -1.183540298        0.9486753999    
H         -3.344922637        -1.003037584       -0.2554968559    
H          1.763868408        -2.216206251         1.493976628    
H        -0.5936015511        -2.562202852         2.006204613    
H         -1.965274921        -2.991102952         2.664525585    
H          2.039194588         1.659759775        -1.391298404    
    18
Energy=    -6256.64145895337    
O         -1.077594233         1.524316424       -0.7193818178    
O          2.793759839        -1.343193182        0.3287726554    
O          1.648883579        0.8286871810        -1.074840482    
O         -2.794540298       -0.4597751056        0.3297637102    
O          1.180201856        -2.674477254         2.228599493    
O         -1.630845398        -2.512750095         1.888308210    
H          1.630014081        -2.394951687         3.041584495    
H          3.182320357        -1.823073135       -0.4191000269    
H          2.385015640       -0.5091820285       -0.1464936713    
H         0.6428668370         1.075307977       -0.9358034317    
H         -1.708549448        0.7674367912       -0.3738716516    
H         -1.363393333         2.280490870       -0.1827872808    
H         -2.368362206        -1.183540852        0.9486768046    
H         -3.344927578        -1.003033576       -0.2554929418    
H          1.763867149        -2.216206765         1.493976926    
H        -0.5936027030        -2.562207975         2.006204737    
H         -1.965276776        -2.991109811         2.664523229    
H          2.039194618         1.659758780        -1.391314559    
    18
Energy=    -6256.64145909287    
O         -1.077585444         1.524304723       -0.7193869649    
O          2.793758400        -1.343189327        0.3287772792    
O          1.648899227        0.8287036945        -1.074827618    
O         -2.794538220       -0.4597742406        0.3297718813    
O          1.180198957        -2.674477994         2.228596153    
O         -1.630852875        -2.512761274         1.888311909    
H          1.630015902        -2.394951580         3.041578499    
H          3.182305803        -1.823067820       -0.4191031516    
H          2.385025188       -0.5091689581       -0.1464817208    
H         0.6428806446         1.075317039       -0.9357947471    
H         -1.708538929        0.7674271115       -0.3738738252    
H         -1.363394756         2.280485709       -0.1828074022    
H         -2.368365059        -1.183544131        0.9486828983    
H         -3.344945211        -1.003020388       -0.2554765618    
H          1.763863037        -2.216205221         1.493974022    
H        -0.5936097848        -2.562221546         2.006206741    
H         -1.965282252        -2.991123615         2.664525883    
H          2.039197354         1.659764374        -1.391348876    
    18
Energy=    -6256.64145918077    
O         -1.077576186         1.524292067       -0.7193926621    
O          2.793758959        -1.343186181        0.3287809821    
O          1.648918415        0.8287236132        -1.074811694    
O         -2.794533638       -0.4597733995        0.3297821777    
O          1.180194254        -2.674475373         2.228591372    
O         -1.630861759        -2.512776269         1.888314284    
H          1.630019803        -2.394959401         3.041572487    
H          3.182285027        -1.823067588       -0.4191087727    
H          2.385036348       -0.5091570820       -0.1464711122    
H         0.6428977739         1.075326903       -0.9357832451    
H         -1.708528368        0.7674164517       -0.3738742074    
H         -1.363405352         2.280482139       -0.1828373983    
H         -2.368365039        -1.183548852        0.9486901178    
H         -3.344959179        -1.003008286       -0.2554583231    
H          1.763857442        -2.216199527         1.493970199    
H        -0.5936185922        -2.562231579         2.006209548    
H         -1.965288637        -2.991135280         2.664531408    
H          2.039200712         1.659774198        -1.391380762    
    18
Energy=    -6256.64145915266    
O         -1.077568259         1.524280283       -0.7193984691    
O          2.793760902        -1.343183370        0.3287837726    
O          1.648939738        0.8287473135        -1.074791093    
O         -2.794524845       -0.4597722432        0.3297962986    
O          1.180186807        -2.674467451         2.228587810    
O         -1.630870980        -2.512796426         1.888312120    
H          1.630018949        -2.394964302         3.041569476    
H          3.182259413        -1.823073341       -0.4191148553    
H          2.385046984       -0.5091470794       -0.1464624857    
H         0.6429168127         1.075340229       -0.9357679924    
H         -1.708518757        0.7674061065       -0.3738720821    
H         -1.363414966         2.280477044       -0.1828633486    
H         -2.368361150        -1.183556677        0.9486981122    
H         -3.344966802        -1.002996870       -0.2554372894    
H          1.763849731        -2.216188883         1.493967852    
H        -0.5936278136        -2.562237818         2.006211162    
H         -1.965297099        -2.991152147         2.664531916    
H          2.039203318         1.659782188        -1.391426505    
    18
Energy=    -6256.64145903148    
O         -1.077567578         1.524273808       -0.7194077227    
O          2.793760677        -1.343185910        0.3287803321    
O          1.648953142        0.8287686637        -1.074772102    
O         -2.794515208       -0.4597743170        0.3298047828    
O          1.180179814        -2.674461685         2.228586650    
O         -1.630875681        -2.512807662         1.888309941    
H          1.630015026        -2.394974405         3.041572389    
H          3.182238867        -1.823082615       -0.4191245427    
H          2.385052603       -0.5091436673       -0.1464589125    
H         0.6429273662         1.075354048       -0.9357595052    
H         -1.708513710        0.7673990204       -0.3738711977    
H         -1.363422931         2.280475468       -0.1828844807    
H         -2.368353433        -1.183563991        0.9487031969    
H         -3.344969253        -1.002995032       -0.2554218020    
H          1.763844474        -2.216183116         1.493967550    
H        -0.5936321925        -2.562238194         2.006211537    
H         -1.965298544        -2.991156366         2.664535558    
H          2.039208543         1.659792507        -1.391447273    
    18
Energy=    -6256.64145909883    
O         -1.077571491         1.524274678       -0.7194173351    
O          2.793762850        -1.343188894        0.3287767332    
O          1.648956807        0.8287782748        -1.074759960    
O         -2.794508869       -0.4597755603        0.3298100061    
O          1.180176132        -2.674461830         2.228583362    
O         -1.630878568        -2.512815647         1.888311871    
H          1.630007047        -2.394975501         3.041571634    
H          3.182235370        -1.823087159       -0.4191300119    
H          2.385055764       -0.5091444613       -0.1464592835    
H         0.6429286958         1.075360416       -0.9357539904    
H         -1.708516300        0.7674012488       -0.3738743033    
H         -1.363421886         2.280477952       -0.1828949082    
H         -2.368348346        -1.183567810        0.9487064125    
H         -3.344963569        -1.002997453       -0.2554143908    
H          1.763843267        -2.216182942         1.493966990    
H        -0.5936346198        -2.562238817         2.006210378    
H         -1.965299653        -2.991157094         2.664543408    
H          2.039209352         1.659797155        -1.391452214    
    18
Energy=    -6256.64145912645    
O         -1.077573212         1.524274512       -0.7194222022    
O          2.793759601        -1.343191020        0.3287732096    
O          1.648957499        0.8287836471        -1.074757257    
O         -2.794507823       -0.4597775293        0.3298083893    
O          1.180175927        -2.674465221         2.228583468    
O         -1.630878125        -2.512813744         1.888314598    
H          1.630006799        -2.394985587         3.041574271    
H          3.182232186        -1.823088489       -0.4191342253    
H          2.385053671       -0.5091450793       -0.1464607873    
H         0.6429286330         1.075364741       -0.9357553490    
H         -1.708517189        0.7674006047       -0.3738774320    
H         -1.363422677         2.280478581       -0.1828999160    
H         -2.368347231        -1.183567803        0.9487073496    
H         -3.344960028        -1.003002371       -0.2554161682    
H          1.763842854        -2.216185217         1.493967625    
H        -0.5936340245        -2.562238540         2.006210883    
H         -1.965296285        -2.991149021         2.664551275    
H          2.039211410         1.659804092        -1.391443335    
    18
Energy=    -6256.64145924874    
O         -1.077575076         1.524274632       -0.7194281122    
O          2.793758850        -1.343191600        0.3287716585    
O          1.648958026        0.8287868127        -1.074755421    
O         -2.794508302       -0.4597788925        0.3298078024    
O          1.180175609        -2.674468855         2.228582538    
O         -1.630878122        -2.512813914         1.888315828    
H          1.630005548        -2.394993969         3.041575605    
H          3.182231782        -1.823087348       -0.4191367822    
H          2.385053750       -0.5091441883       -0.1464603662    
H         0.6429283940         1.075366644       -0.9357572281    
H         -1.708518664        0.7674015289       -0.3738819957    
H         -1.363421659         2.280479523       -0.1829052051    
H         -2.368346921        -1.183567093        0.9487084731    
H         -3.344961943        -1.003005751       -0.2554137081    
H          1.763843929        -2.216187700         1.493968741    
H        -0.5936337447        -2.562241111         2.006208733    
H         -1.965292735        -2.991141169         2.664559030    
H          2.039213262         1.659809006        -1.391435193    
    18
Energy=    -6256.64145940284    
O         -1.077574150         1.524273783       -0.7194316580    
O          2.793757570        -1.343190976        0.3287716790    
O          1.648959801        0.8287900618        -1.074754821    
O         -2.794508512       -0.4597787314        0.3298087240    
O          1.180175549        -2.674471730         2.228581487    
O         -1.630879571        -2.512816777         1.888318347    
H          1.630005029        -2.394999295         3.041575734    
H          3.182231195        -1.823084695       -0.4191378403    
H          2.385054274       -0.5091424881       -0.1464594321    
H         0.6429297090         1.075368087       -0.9357576681    
H         -1.708517827        0.7674016977       -0.3738846668    
H         -1.363420456         2.280480363       -0.1829109801    
H         -2.368348637        -1.183565942        0.9487108695    
H         -3.344961782        -1.003006088       -0.2554123665    
H          1.763843313        -2.216188178         1.493968824    
H        -0.5936351391        -2.562245850         2.006208265    
H         -1.965291763        -2.991139903         2.664565107    
H          2.039213380         1.659813217        -1.391435205    
    18
Energy=    -6256.64145942174    
O         -1.077573904         1.524273378       -0.7194339034    
O          2.793758013        -1.343190599        0.3287721887    
O          1.648960742        0.8287903375        -1.074754072    
O         -2.794508273       -0.4597781698        0.3298102602    
O          1.180175140        -2.674471560         2.228581647    
O         -1.630879549        -2.512818487         1.888317044    
H          1.630004902        -2.394998596         3.041575464    
H          3.182229933        -1.823084546       -0.4191379731    
H          2.385054964       -0.5091413931       -0.1464582542    
H         0.6429303638         1.075367688       -0.9357580288    
H         -1.708517291        0.7674019839       -0.3738861254    
H         -1.363420603         2.280480593       -0.1829145054    
H         -2.368347653        -1.183565628        0.9487116263    
H         -3.344966274        -1.003004444       -0.2554072642    
H          1.763843809        -2.216188299         1.493969621    
H        -0.5936350890        -2.562247200         2.006207220    
H         -1.965291184        -2.991141992         2.664563702    
H          2.039213936         1.659813491        -1.391434247    
    18
Energy=    -6256.64145941597    
O         -1.077573542         1.524273038       -0.7194337627    
O          2.793757927        -1.343190370        0.3287724971    
O          1.648961009        0.8287903831        -1.074754202    
O         -2.794508173       -0.4597778981        0.3298108333    
O          1.180175114        -2.674471249         2.228581821    
O         -1.630879675        -2.512819092         1.888316731    
H          1.630005142        -2.394998185         3.041575443    
H          3.182229587        -1.823084312       -0.4191378147    
H          2.385054948       -0.5091411485       -0.1464580009    
H         0.6429306408         1.075367639       -0.9357579850    
H         -1.708516956        0.7674017856       -0.3738857083    
H         -1.363420631         2.280480511       -0.1829149459    
H         -2.368347829        -1.183565834        0.9487118440    
H         -3.344966424        -1.003003546       -0.2554069535    
H          1.763843612        -2.216188040         1.493969619    
H        -0.5936352559        -2.562247485         2.006207251    
H         -1.965291472        -2.991142975         2.664563107    
H          2.039213961         1.659813334        -1.391435376    
    18
Energy=    -6256.64145940500    
O         -1.077572722         1.524272288       -0.7194338513    
O          2.793757286        -1.343189811        0.3287729715    
O          1.648961720        0.8287907294        -1.074754883    
O         -2.794507345       -0.4597775160        0.3298121122    
O          1.180174951        -2.674470698         2.228582206    
O         -1.630880145        -2.512821035         1.888316141    
H          1.630005734        -2.394997362         3.041575308    
H          3.182228388        -1.823083753       -0.4191376355    
H          2.385054609       -0.5091404975       -0.1464576830    
H         0.6429313323         1.075367654       -0.9357583064    
H         -1.708515985        0.7674012359       -0.3738850563    
H         -1.363420779         2.280480371       -0.1829164865    
H         -2.368347839        -1.183566675        0.9487123147    
H         -3.344966604        -1.003001612       -0.2554059990    
H          1.763842877        -2.216187602         1.493969498    
H        -0.5936358089        -2.562248543         2.006207389    
H         -1.965292142        -2.991144381         2.664562747    
H          2.039214457         1.659813765        -1.391436388    
    18
Energy=    -6256.64145938620    
O         -1.077571639         1.524271489       -0.7194341391    
O          2.793755768        -1.343188744        0.3287734205    
O          1.648962592        0.8287910739        -1.074757056    
O         -2.794505461       -0.4597773111        0.3298139686    
O          1.180174484        -2.674470176         2.228582702    
O         -1.630881014        -2.512824598         1.888315167    
H          1.630005851        -2.394996119         3.041575201    
H          3.182227113        -1.823082712       -0.4191370251    
H          2.385053554       -0.5091395013       -0.1464579231    
H         0.6429322586         1.075367728       -0.9357598172    
H         -1.708514522        0.7674005761       -0.3738841657    
H         -1.363420804         2.280480269       -0.1829183777    
H         -2.368347183        -1.183568269        0.9487130953    
H         -3.344966285        -1.002999094       -0.2554046074    
H          1.763841670        -2.216187013         1.493969459    
H        -0.5936367860        -2.562250806         2.006207347    
H         -1.965293197        -2.991145231         2.664563387    
H          2.039215583         1.659814995        -1.391436237    
    18
Energy=    -6256.64145936480    
O         -1.077569836         1.524271050       -0.7194350032    
O          2.793751538        -1.343186618        0.3287737428    
O          1.648963671        0.8287916012        -1.074763325    
O         -2.794500568       -0.4597776503        0.3298169929    
O          1.180173285        -2.674469855         2.228583770    
O         -1.630882530        -2.512832098         1.888313481    
H          1.630004817        -2.394993591         3.041575420    
H          3.182225219        -1.823080805       -0.4191352864    
H          2.385050501       -0.5091378039       -0.1464595874    
H         0.6429335230         1.075368055       -0.9357647725    
H         -1.708511194        0.7673997560       -0.3738830364    
H         -1.363420652         2.280480639       -0.1829213662    
H         -2.368344607        -1.183571816        0.9487141499    
H         -3.344965405        -1.002995500       -0.2554013084    
H          1.763838768        -2.216186170         1.493969545    
H        -0.5936384061        -2.562255997         2.006207017    
H         -1.965294839        -2.991145180         2.664566224    
H          2.039218699         1.659818539        -1.391432258    
    18
Energy=    -6256.64145928313    
O         -1.077568063         1.524271159       -0.7194356239    
O          2.793745488        -1.343182216        0.3287737723    
O          1.648965375        0.8287924788        -1.074773154    
O         -2.794492573       -0.4597806251        0.3298175286    
O          1.180170415        -2.674471292         2.228582223    
O         -1.630886462        -2.512841336         1.888313768    
H          1.630001539        -2.394994702         3.041573795    
H          3.182225784        -1.823076954       -0.4191313374    
H          2.385045753       -0.5091348010       -0.1464641726    
H         0.6429360157         1.075370316       -0.9357720870    
H         -1.708507847        0.7673982209       -0.3738829230    
H         -1.363420347         2.280478673       -0.1829193827    
H         -2.368339449        -1.183577185        0.9487151300    
H         -3.344960777        -1.002994304       -0.2554010693    
H          1.763834859        -2.216184331         1.493969170    
H        -0.5936425535        -2.562264535         2.006206913    
H         -1.965297998        -2.991136320         2.664578331    
H          2.039222822         1.659824311        -1.391426484    
    18
Energy=    -6256.64145934141    
O         -1.077568238         1.524272281       -0.7194358740    
O          2.793744209        -1.343182715        0.3287733331    
O          1.648964377        0.8287916226        -1.074775644    
O         -2.794492407       -0.4597800499        0.3298194214    
O          1.180171067        -2.674471034         2.228584303    
O         -1.630884961        -2.512843092         1.888311588    
H          1.629999777        -2.394990508         3.041576075    
H          3.182225018        -1.823078106       -0.4191310616    
H          2.385044813       -0.5091355242       -0.1464648227    
H         0.6429350866         1.075369427       -0.9357745873    
H         -1.708507035        0.7673993979       -0.3738823361    
H         -1.363419615         2.280480861       -0.1829209193    
H         -2.368338500        -1.183577309        0.9487149840    
H         -3.344962237        -1.002993873       -0.2553979399    
H          1.763834810        -2.216184987         1.493970105    
H        -0.5936409160        -2.562265204         2.006205584    
H         -1.965297191        -2.991139219         2.664574794    
H          2.039223926         1.659824586        -1.391422603    
    18
Energy=    -6256.64145935518    
O         -1.077568881         1.524273434       -0.7194360661    
O          2.793743775        -1.343183047        0.3287727685    
O          1.648963387        0.8287910208        -1.074776638    
O         -2.794492233       -0.4597803392        0.3298191963    
O          1.180171100        -2.674471749         2.228584466    
O         -1.630884283        -2.512842799         1.888311308    
H          1.629998191        -2.394989944         3.041576742    
H          3.182226089        -1.823078614       -0.4191307668    
H          2.385044340       -0.5091360849       -0.1464656962    
H         0.6429341115         1.075369195       -0.9357758448    
H         -1.708507312        0.7674003652       -0.3738825605    
H         -1.363419402         2.280481987       -0.1829205267    
H         -2.368337467        -1.183576938        0.9487147458    
H         -3.344961772        -1.002995468       -0.2553974466    
H          1.763835046        -2.216185703         1.493970415    
H        -0.5936401265        -2.562265453         2.006205048    
H         -1.965296638        -2.991138118         2.664574892    
H          2.039224058         1.659824812        -1.391419639    
    18
Energy=    -6256.64145934718    
O         -1.077569122         1.524273875       -0.7194361657    
O          2.793743516        -1.343182953        0.3287725466    
O          1.648962999        0.8287909313        -1.074777142    
O         -2.794491849       -0.4597808291        0.3298186053    
O          1.180170833        -2.674472261         2.228584083    
O         -1.630884293        -2.512842592         1.888311545    
H          1.629997739        -2.394990945         3.041576646    
H          3.182226812        -1.823078567       -0.4191304528    
H          2.385044089       -0.5091361405       -0.1464662137    
H         0.6429336958         1.075369249       -0.9357764642    
H         -1.708507446        0.7674005681       -0.3738828960    
H         -1.363419249         2.280482154       -0.1829199233    
H         -2.368336860        -1.183576971        0.9487145748    
H         -3.344961088        -1.002996578       -0.2553978075    
H          1.763834971        -2.216185875         1.493970395    
H        -0.5936400729        -2.562265730         2.006204953    
H         -1.965296606        -2.991136085         2.664576294    
H          2.039223913         1.659825306        -1.391418179    
    18
Energy=    -6256.64145934094    
O         -1.077569106         1.524273853       -0.7194361712    
O          2.793743448        -1.343182950        0.3287724961    
O          1.648962974        0.8287909483        -1.074777158    
O         -2.794491744       -0.4597809146        0.3298185292    
O          1.180170770        -2.674472293         2.228584009    
O         -1.630884339        -2.512842629         1.888311530    
H          1.629997672        -2.394991037         3.041576592    
H          3.182226885        -1.823078526       -0.4191304526    
H          2.385044043       -0.5091361252       -0.1464662918    
H         0.6429336465         1.075369230       -0.9357764957    
H         -1.708507441        0.7674005081       -0.3738829336    
H         -1.363419154         2.280482064       -0.1829197716    
H         -2.368336749        -1.183577017        0.9487145800    
H         -3.344960875        -1.002996703       -0.2553979414    
H          1.763834940        -2.216185866         1.493970362    
H        -0.5936401185        -2.562265810         2.006204910    
H         -1.965296665        -2.991135610         2.664576603    
H          2.039223796         1.659825434        -1.391417996    
    18
Energy=    -6256.64145933687    
O         -1.077569064         1.524273814       -0.7194361379    
O          2.793743417        -1.343182936        0.3287724978    
O          1.648962964        0.8287909360        -1.074777190    
O         -2.794491698       -0.4597809260        0.3298185489    
O          1.180170718        -2.674472240         2.228584008    
O         -1.630884380        -2.512842698         1.888311446    
H          1.629997677        -2.394991047         3.041576585    
H          3.182226903        -1.823078494       -0.4191304353    
H          2.385044021       -0.5091361090       -0.1464663063    
H         0.6429336228         1.075369177       -0.9357764946    
H         -1.708507415        0.7674004666       -0.3738828950    
H         -1.363419061         2.280482014       -0.1829196840    
H         -2.368336715        -1.183577040        0.9487146144    
H         -3.344960725        -1.002996718       -0.2553980097    
H          1.763834904        -2.216185822         1.493970366    
H        -0.5936401618        -2.562265843         2.006204843    
H         -1.965296703        -2.991135451         2.664576669    
H          2.039223681         1.659825472        -1.391418028    
    18
Energy=    -6256.64145933553    
O         -1.077569031         1.524273787       -0.7194361062    
O          2.793743405        -1.343182949        0.3287724978    
O          1.648962957        0.8287909077        -1.074777212    
O         -2.794491699       -0.4597808919        0.3298186057    
O          1.180170714        -2.674472164         2.228584075    
O         -1.630884382        -2.512842749         1.888311340    
H          1.629997682        -2.394990915         3.041576631    
H          3.182226869        -1.823078515       -0.4191304412    
H          2.385044013       -0.5091361206       -0.1464663092    
H         0.6429336107         1.075369120       -0.9357764770    
H         -1.708507399        0.7674004557       -0.3738828463    
H         -1.363418983         2.280481998       -0.1829196426    
H         -2.368336718        -1.183577036        0.9487146406    
H         -3.344960678        -1.002996677       -0.2553979992    
H          1.763834895        -2.216185796         1.493970400    
H        -0.5936401688        -2.562265834         2.006204782    
H         -1.965296705        -2.991135529         2.664576545    
H          2.039223603         1.659825464        -1.391418086    
    18
Energy=    -6256.64145933673    
O         -1.077569020         1.524273789       -0.7194360689    
O          2.793743420        -1.343182959        0.3287725076    
O          1.648962956        0.8287908659        -1.074777259    
O         -2.794491729       -0.4597808541        0.3298186573    
O          1.180170723        -2.674472103         2.228584143    
O         -1.630884369        -2.512842768         1.888311263    
H          1.629997660        -2.394990768         3.041576687    
H          3.182226860        -1.823078546       -0.4191304300    
H          2.385044022       -0.5091361432       -0.1464663076    
H         0.6429336212         1.075369084       -0.9357764749    
H         -1.708507400        0.7674004729       -0.3738828073    
H         -1.363418954         2.280482006       -0.1829196035    
H         -2.368336739        -1.183577021        0.9487146548    
H         -3.344960718        -1.002996630       -0.2553979482    
H          1.763834899        -2.216185777         1.493970446    
H        -0.5936401563        -2.562265805         2.006204733    
H         -1.965296681        -2.991135710         2.664576371    
H          2.039223586         1.659825422        -1.391418164    
    18
Energy=    -6256.64145933625    
O         -1.077569022         1.524273784       -0.7194360873    
O          2.793743407        -1.343182963        0.3287725017    
O          1.648962953        0.8287908776        -1.074777240    
O         -2.794491721       -0.4597808542        0.3298186510    
O          1.180170732        -2.674472119         2.228584142    
O         -1.630884364        -2.512842762         1.888311274    
H          1.629997673        -2.394990784         3.041576684    
H          3.182226841        -1.823078545       -0.4191304429    
H          2.385044012       -0.5091361407       -0.1464663087    
H         0.6429336140         1.075369092       -0.9357764735    
H         -1.708507401        0.7674004683       -0.3738828177    
H         -1.363418951         2.280482004       -0.1829196270    
H         -2.368336732        -1.183577020        0.9487146518    
H         -3.344960711        -1.002996632       -0.2553979508    
H          1.763834901        -2.216185787         1.493970440    
H        -0.5936401528        -2.562265808         2.006204743    
H         -1.965296682        -2.991135687         2.664576388    
H          2.039223588         1.659825433        -1.391418130    
