    18
Energy=    -45.6932513756026    
O          1.634692585        0.5531003978        -1.531839753    
H          1.860694602         1.402454753        -1.908641071    
H         0.6744926534        0.4485592324        -1.654314315    
O        -0.1605663876        -2.582707159       -0.6087416780E-01
H         0.5143300790        -1.975500347        0.3240288813    
H         0.3028189369        -3.382275412       -0.3084733704    
O         -2.253960408        -2.114233686         1.683643679    
H         -3.097531238        -2.388247843         1.323456275    
H         -1.580136127        -2.480286332         1.085483433    
O         -1.286052353        0.4294626323         1.480489205    
H         -1.618821385         1.092397591         2.084447239    
H         -1.756866703       -0.3981505938         1.691860150    
O          1.366909015       -0.6533503921        0.9826923926    
H         0.6387724748       -0.1289183943         1.339931951    
H          1.668842329       -0.1482378365        0.2121464546    
O         -1.054871598       -0.1091122978        -1.391448527    
H        -0.9000535049        -1.045281525        -1.216839778    
H         -1.281462916        0.2456010379       -0.5226804996    
    18
Energy=    -45.6914251968022    
O          1.641024534        0.5603385180        -1.532234967    
H          1.866647913         1.409162188        -1.910468538    
H         0.6810151890        0.4547868539        -1.655067083    
O        -0.1662559164        -2.583409949       -0.5835502375E-01
H         0.5104295261        -1.976478359        0.3238405310    
H         0.2946686846        -3.385498342       -0.3024603725    
O         -2.255115931        -2.118085537         1.691061365    
H         -3.099711423        -2.398565998         1.338261929    
H         -1.583311419        -2.482458818         1.089537105    
O         -1.290767740        0.4264763632         1.475357523    
H         -1.619837735         1.087866989         2.082979933    
H         -1.758845649       -0.4021018090         1.689508167    
O          1.365489053       -0.6543389527        0.9775580718    
H         0.6374317738       -0.1290007299         1.333531353    
H          1.670216792       -0.1491916035        0.2081982695    
O         -1.047538527       -0.1042545367        -1.393722405    
H        -0.8953925519        -1.040670490        -1.218181579    
H         -1.278916519        0.2506980392       -0.5262760995    
    18
Energy=    -45.6887816970615    
O          1.645999065        0.5606321650        -1.537611089    
H          1.874180478         1.412235744        -1.907973381    
H         0.6857985109        0.4594178447        -1.660819002    
O        -0.1712775602        -2.580317229       -0.5717644447E-01
H         0.5067506270        -1.973600037        0.3228412965    
H         0.2881487964        -3.384400349       -0.2973912520    
O         -2.258435006        -2.120895851         1.695658843    
H         -3.101721512        -2.406674502         1.344146143    
H         -1.584609964        -2.483413134         1.095061940    
O         -1.289526578        0.4199476736         1.476944692    
H         -1.619791217         1.083780389         2.081432023    
H         -1.763146640       -0.4060738540         1.688872740    
O          1.366818176       -0.6511988932        0.9759986735    
H         0.6374897540       -0.1268959770         1.331060251    
H          1.672484165       -0.1463670241        0.2068385840    
O         -1.046001803       -0.1013695062        -1.394947568    
H        -0.8961276073        -1.039093569        -1.224419513    
H         -1.275801631        0.2495599346       -0.5254487589    
    18
Energy=    -45.6853288816093    
O          1.652113652        0.5587240249        -1.536761070    
H          1.883972780         1.411902516        -1.901369275    
H         0.6917770651        0.4608945133        -1.663125508    
O        -0.1754056500        -2.576421999       -0.6001050320E-01
H         0.5028716770        -1.969895163        0.3200591746    
H         0.2844711591        -3.379927891       -0.3015250898    
O         -2.254492652        -2.125721189         1.705325272    
H         -3.100653780        -2.420299086         1.368284947    
H         -1.586612766        -2.485897540         1.096806849    
O         -1.294885605        0.4200906800         1.473771186    
H         -1.626112375         1.085540896         2.075731286    
H         -1.761975478       -0.4073531173         1.693530091    
O          1.364130628       -0.6524611152        0.9757572697    
H         0.6349189619       -0.1281492246         1.330745148    
H          1.669494303       -0.1477729359        0.2063363486    
O         -1.041943463       -0.9407099436E-01    -1.401892564    
H        -0.8990370838        -1.034061207        -1.239063748    
H         -1.271401318        0.2501526589       -0.5295316359    
    18
Energy=    -45.6839715657156    
O          1.654396687        0.5580769755        -1.534131361    
H          1.886793088         1.411030663        -1.899077804    
H         0.6942267026        0.4598974280        -1.662347434    
O        -0.1765218319        -2.575531106       -0.6332277042E-01
H         0.5013109910        -1.969943219        0.3191490235    
H         0.2839686306        -3.378371094       -0.3056146276    
O         -2.251266045        -2.127611278         1.709229513    
H         -3.098892651        -2.427981503         1.380533260    
H         -1.586590511        -2.485981475         1.096062662    
O         -1.296547837        0.4212873170         1.472472697    
H         -1.627991465         1.088483954         2.072390942    
H         -1.764447018       -0.4050186724         1.693733176    
O          1.362135799       -0.6540308480        0.9758182226    
H         0.6339346098       -0.1285916396         1.331529691    
H          1.667519586       -0.1492772569        0.2060609061    
O         -1.040867918       -0.9114483168E-01    -1.404498348    
H        -0.8992752517        -1.031542251        -1.243205078    
H         -1.270655513        0.2515226614       -0.5317144932    
    18
Energy=    -45.6799927615804    
O          1.658186421        0.5560162831        -1.529474424    
H          1.891563648         1.408839193        -1.894463528    
H         0.6980975423        0.4586762152        -1.659764308    
O        -0.1795872074        -2.575087503       -0.7012073493E-01
H         0.4957340739        -1.968981280        0.3165022348    
H         0.2842321877        -3.376064383       -0.3124346857    
O         -2.244226993        -2.130571469         1.717971018    
H         -3.094833092        -2.435661021         1.400447671    
H         -1.585418075        -2.487558004         1.097902550    
O         -1.299073029        0.4217763849         1.470497768    
H         -1.633011776         1.091619523         2.066038378    
H         -1.767313517       -0.4038322515         1.693622224    
O          1.357915340       -0.6559707285        0.9753351093    
H         0.6323118132       -0.1287784884         1.333226693    
H          1.664138397       -0.1514136632        0.2059386379    
O         -1.038132888       -0.8560831124E-01    -1.409944547    
H        -0.8984924484        -1.026894833        -1.251198092    
H         -1.270860344        0.2547681602       -0.5370137843    
    18
Energy=    -45.6777294181093    
O          1.659516528        0.5547918655        -1.528242787    
H          1.893824864         1.407633909        -1.892020698    
H         0.6995425206        0.4587512009        -1.658382037    
O        -0.1815639889        -2.575264055       -0.7271435649E-01
H         0.4917894297        -1.967393202        0.3146749145    
H         0.2849140420        -3.375172527       -0.3140072804    
O         -2.241000437        -2.131550293         1.722742425    
H         -3.093115107        -2.433638473         1.406805168    
H         -1.584603413        -2.489646693         1.100933029    
O         -1.300129691        0.4205621669         1.469582743    
H         -1.636731324         1.090523418         2.063606588    
H         -1.765847795       -0.4064592289         1.694289595    
O          1.355821531       -0.6562910390        0.9747149394    
H         0.6317509733       -0.1281422272         1.333835732    
H          1.662785176       -0.1516891330        0.2059589311    
O         -1.036430732       -0.8300530726E-01    -1.413008650    
H        -0.8977386262        -1.024692569        -1.255623646    
H         -1.271553898        0.2559560117       -0.5400764317    
    18
Energy=    -45.6764239632487    
O          1.659829846        0.5543317032        -1.528184611    
H          1.894413190         1.407323440        -1.891307924    
H         0.6997203612        0.4588873448        -1.658006296    
O        -0.1822031215        -2.575484158       -0.7312512786E-01
H         0.4901071321        -1.966362321        0.3140325908    
H         0.2855871769        -3.375039217       -0.3134275481    
O         -2.240333741        -2.131631643         1.724222344    
H         -3.092912085        -2.430623218         1.407398543    
H         -1.584631144        -2.490950227         1.102461687    
O         -1.300264359        0.4193614424         1.469701147    
H         -1.638275612         1.089014417         2.063209586    
H         -1.764200942       -0.4085254802         1.694951423    
O          1.355176345       -0.6561084355        0.9742354913    
H         0.6319011786       -0.1274185589         1.333991701    
H          1.662337475       -0.1514394126        0.2056910809    
O         -1.035696452       -0.8215289456E-01    -1.414177299    
H        -0.8973224507        -1.023943897        -1.257405384    
H         -1.272002742        0.2560349410       -0.5411932263    
    18
Energy=    -45.6744355537898    
O          1.658796729        0.5548245408        -1.529746603    
H          1.892634962         1.407943276        -1.892662717    
H         0.6985334458        0.4587846815        -1.658679425    
O        -0.1811636643        -2.576151403       -0.7054942756E-01
H         0.4899478831        -1.964958111        0.3148983105    
H         0.2877924086        -3.375903135       -0.3081889112    
O         -2.243568974        -2.130819063         1.722478129    
H         -3.095526136        -2.422760676         1.399087731    
H         -1.586292878        -2.492603026         1.103643246    
O         -1.298532102        0.4164745527         1.472249106    
H         -1.637758971         1.085431146         2.065807748    
H         -1.761361037       -0.4120846660         1.697017390    
O          1.356175528       -0.6550259340        0.9728486207    
H         0.6338077758       -0.1254680586         1.333986082    
H          1.662281419       -0.1499149189        0.2035067040    
O         -1.035430600       -0.8268546087E-01    -1.413904941    
H        -0.8967203668        -1.024249179        -1.257967821    
H         -1.272385367        0.2544392596       -0.5407550444    
    18
Energy=    -45.6555489845965    
O          1.666825044        0.5461351869        -1.524750971    
H          1.910842885         1.401826396        -1.876423752    
H         0.7049084056        0.4644771990        -1.652132307    
O        -0.1959668486        -2.573675961       -0.9118925412E-01
H         0.4728583404        -1.964304671        0.3004602909    
H         0.2805300487        -3.367959689       -0.3290631519    
O         -2.215660368        -2.137107606         1.746633062    
H         -3.077743018        -2.433461848         1.454406394    
H         -1.579294145        -2.498485311         1.106332610    
O         -1.311150221        0.4242418531         1.453135846    
H         -1.658900651         1.087368756         2.048798799    
H         -1.752959061       -0.4129522292         1.689128073    
O          1.344948014       -0.6602849342        0.9809439439    
H         0.6216213164       -0.1276367488         1.335227214    
H          1.663193259       -0.1546262425        0.2171214972    
O         -1.032091353       -0.7440648322E-01    -1.424452742    
H        -0.8960359262        -1.017024390        -1.267928028    
H         -1.274695666        0.2631505474       -0.5531793462    
    18
Energy=    -45.6490240675561    
O          1.671101901        0.5437663842        -1.520058579    
H          1.918024189         1.398652421        -1.870137709    
H         0.7090475757        0.4653237734        -1.648440276    
O        -0.2001666810        -2.572605686       -0.9831106829E-01
H         0.4673141375        -1.963656618        0.2956325880    
H         0.2749827939        -3.366432269       -0.3442104378    
O         -2.204690992        -2.137811111         1.756094033    
H         -3.067713201        -2.445606106         1.479563953    
H         -1.573953861        -2.497407026         1.108813694    
O         -1.317009140        0.4279853465         1.446174180    
H         -1.666212045         1.092034016         2.039583782    
H         -1.754769904       -0.4101669934         1.685451803    
O          1.341033024       -0.6634432565        0.9849320110    
H         0.6152455839       -0.1313450959         1.334980836    
H          1.661789278       -0.1579778783        0.2221620037    
O         -1.030797056       -0.7082489947E-01    -1.429151796    
H        -0.8969482755        -1.012985671        -1.271610210    
H         -1.275047272        0.2677744942       -0.5584006302    
    18
Energy=    -45.6433385869719    
O          1.673621363        0.5429099755        -1.515679052    
H          1.923466827         1.396455848        -1.865718649    
H         0.7124012785        0.4653792241        -1.647578500    
O        -0.2026467476        -2.570558592       -0.1028165149    
H         0.4658425579        -1.963684269        0.2927917176    
H         0.2694528864        -3.364638526       -0.3545844396    
O         -2.196138522        -2.138029494         1.762861114    
H         -3.060929068        -2.450998340         1.495976966    
H         -1.569592179        -2.497421293         1.111297558    
O         -1.321042819        0.4295093611         1.441602492    
H         -1.671851254         1.093648251         2.032749681    
H         -1.755082998       -0.4094081764         1.682569140    
O          1.336448345       -0.6663805246        0.9865219379    
H         0.6106057764       -0.1322622525         1.334823661    
H          1.660945348       -0.1610428077        0.2261849927    
O         -1.029475375       -0.6838151818E-01    -1.431348141    
H        -0.8984063665        -1.009904096        -1.274418180    
H         -1.276388999        0.2700810550       -0.5621676043    
    18
Energy=    -45.6334354299762    
O          1.679307834        0.5410273399        -1.505776137    
H          1.934936782         1.392385585        -1.856684415    
H         0.7187110923        0.4648144966        -1.647168925    
O        -0.2071045317        -2.565058652       -0.1138028906    
H         0.4646612466        -1.965875640        0.2881103710    
H         0.2587436418        -3.360096564       -0.3750265915    
O         -2.179296558        -2.137375977         1.772510302    
H         -3.046148332        -2.468313251         1.536810459    
H         -1.564847647        -2.497854589         1.110792332    
O         -1.327422292        0.4343516749         1.431626933    
H         -1.682738724         1.099725159         2.019368603    
H         -1.757474669       -0.4061729397         1.676167814    
O          1.324595088       -0.6733732598        0.9900690520    
H         0.6026581450       -0.1331486020         1.335183815    
H          1.660223288       -0.1672422555        0.2342164891    
O         -1.026122490       -0.6203941071E-01    -1.436247369    
H        -0.9016924437        -1.005435932        -1.279350542    
H         -1.279759375        0.2749566425       -0.5677311238    
    18
Energy=    -45.6310593042693    
O          1.679934667        0.5407291500        -1.504353760    
H          1.936453348         1.391966745        -1.855521718    
H         0.7195985529        0.4645543171        -1.647426829    
O        -0.2075980146        -2.564181948       -0.1159116321    
H         0.4649911531        -1.966792774        0.2876632960    
H         0.2576695698        -3.359100533       -0.3772324709    
O         -2.177416142        -2.137113930         1.772432734    
H         -3.044082276        -2.472697911         1.544407842    
H         -1.565515900        -2.498118186         1.108900077    
O         -1.327979073        0.4356346017         1.430412642    
H         -1.683689400         1.101272337         2.017670744    
H         -1.758289277       -0.4047738615         1.675092952    
O          1.322831264       -0.6744345876        0.9903893186    
H         0.6019489029       -0.1328572322         1.335601362    
H          1.660281830       -0.1682519846        0.2354053404    
O         -1.025641348       -0.6114637106E-01    -1.436426299    
H        -0.9021117354        -1.004951444        -1.279811166    
H         -1.280156068        0.2755374367       -0.5682242546    
    18
Energy=    -45.6292032421708    
O          1.679560585        0.5407391358        -1.504554306    
H          1.936607457         1.392219288        -1.855550024    
H         0.7194706096        0.4646957633        -1.648248334    
O        -0.2074671619        -2.563910221       -0.1161704616    
H         0.4656154207        -1.966950609        0.2881653189    
H         0.2576008144        -3.358701389       -0.3757612878    
O         -2.177024326        -2.137382362         1.772086583    
H         -3.044923490        -2.470857328         1.544115702    
H         -1.566362313        -2.498714416         1.107812358    
O         -1.327553478        0.4352519302         1.430470231    
H         -1.683999199         1.100405944         2.018224787    
H         -1.757008520       -0.4056055016         1.674815731    
O          1.322148607       -0.6744486250        0.9899308985    
H         0.6022557616       -0.1316896028         1.335703635    
H          1.660821099       -0.1681363205        0.2356299232    
O         -1.025600301       -0.6139884294E-01    -1.436109455    
H        -0.9022714180        -1.005310863        -1.279729896    
H         -1.280640093        0.2750678451       -0.5677632249    
    18
Energy=    -45.6266213675473    
O          1.679583086        0.5405020464        -1.504114924    
H          1.937045849         1.392212467        -1.855244736    
H         0.7197988463        0.4645600693        -1.648388912    
O        -0.2075425892        -2.564067810       -0.1171083159    
H         0.4659629316        -1.967291853        0.2880056308    
H         0.2573885933        -3.358047815       -0.3761608934    
O         -2.176854603        -2.137087839         1.771249886    
H         -3.044040275        -2.473479017         1.547634341    
H         -1.567324342        -2.498910911         1.106251034    
O         -1.327594653        0.4358286850         1.430168208    
H         -1.684031240         1.101462537         2.017832988    
H         -1.757498462       -0.4045481031         1.674345708    
O          1.321645034       -0.6748528471        0.9900523572    
H         0.6022022167       -0.1314463712         1.336045700    
H          1.660913314       -0.1685162262        0.2360283370    
O         -1.025309858       -0.6129845137E-01    -1.436164365    
H        -0.9023560929        -1.005085002        -1.279783458    
H         -1.280757701        0.2753402657       -0.5675804094    
    18
Energy=    -45.6187640982010    
O          1.685190553        0.5407866106        -1.494517953    
H          1.943662009         1.389868294        -1.850984454    
H         0.7266332083        0.4625944059        -1.645953260    
O        -0.2125757773        -2.560313879       -0.1224057627    
H         0.4653847560        -1.968895097        0.2822293733    
H         0.2472233995        -3.354385818       -0.3931139765    
O         -2.166178077        -2.134965085         1.783723816    
H         -3.031768414        -2.476354044         1.561338256    
H         -1.555351824        -2.499941164         1.119871322    
O         -1.334008466        0.4358516568         1.423327278    
H         -1.692781628         1.102900675         2.007598517    
H         -1.760116348       -0.4055776898         1.672683964    
O          1.319460528       -0.6766855499        0.9963797781    
H         0.5933899463       -0.1357246738         1.333472042    
H          1.655197696       -0.1755297374        0.2375566964    
O         -1.027061797       -0.5677231658E-01    -1.441238241    
H        -0.9030462773        -1.000884497        -1.284200060    
H         -1.282023433        0.2793017336       -0.5726991554    
    18
Energy=    -45.6136431346950    
O          1.687762489        0.5401985845        -1.491088809    
H          1.946417247         1.388070388        -1.848613553    
H         0.7291667564        0.4620090721        -1.642497678    
O        -0.2143772359        -2.560361152       -0.1244614473    
H         0.4637187183        -1.970706123        0.2811954334    
H         0.2444905781        -3.352832772       -0.4035290271    
O         -2.162432726        -2.133145295         1.787251608    
H         -3.025420945        -2.486853823         1.572864542    
H         -1.550976154        -2.496023940         1.123200366    
O         -1.336471750        0.4371359667         1.420972448    
H         -1.695305831         1.106578546         2.002072448    
H         -1.764748628       -0.4022764108         1.672236924    
O          1.317946582       -0.6785423370        0.9977291700    
H         0.5900150325       -0.1402510629         1.332752194    
H          1.653474959       -0.1767280756        0.2387750091    
O         -1.026161822       -0.5507634618E-01    -1.443976049    
H        -0.9043829776       -0.9982566155        -1.286072004    
H         -1.281484238        0.2823352200       -0.5757433961    
    18
Energy=    -45.6101254864241    
O          1.689224873        0.5393779346        -1.489337499    
H          1.948070616         1.386950932        -1.847073465    
H         0.7303820745        0.4617390899        -1.639851146    
O        -0.2153973541        -2.560855708       -0.1260759650    
H         0.4626197846        -1.972786369        0.2813679910    
H         0.2438876394        -3.351498629       -0.4101182534    
O         -2.160975172        -2.131374751         1.787589980    
H         -3.021004624        -2.497598707         1.583151922    
H         -1.549945974        -2.492400848         1.122769971    
O         -1.337564965        0.4387606843         1.419946636    
H         -1.696088120         1.110364663         1.998604079    
H         -1.768726381       -0.3987884485         1.671852165    
O          1.317080934       -0.6803770343        0.9974268499    
H         0.5880637012       -0.1431668698         1.332917972    
H          1.652946947       -0.1767911805        0.2400052769    
O         -1.025003311       -0.5369072651E-01    -1.445586461    
H        -0.9055169541       -0.9971433529        -1.286964170    
H         -1.280823659        0.2845531451       -0.5775577053    
    18
Energy=    -45.6024229259115    
O          1.690696472        0.5374597467        -1.487075966    
H          1.950315294         1.386121132        -1.845305126    
H         0.7315867151        0.4615412527        -1.636432230    
O        -0.2172996111        -2.562012708       -0.1287342700    
H         0.4616129887        -1.975987901        0.2814876897    
H         0.2433026886        -3.348718104       -0.4180732177    
O         -2.158860438        -2.129425984         1.789046927    
H         -3.015439339        -2.511293282         1.594959971    
H         -1.548448459        -2.487935100         1.123202374    
O         -1.339296619        0.4411146940         1.418438509    
H         -1.696700064         1.116071342         1.994271247    
H         -1.774233218       -0.3949203122         1.671290378    
O          1.315481001       -0.6831497574        0.9965343900    
H         0.5858220397       -0.1471272914         1.333364731    
H          1.652607501       -0.1763693122        0.2417943875    
O         -1.023224067       -0.5143921752E-01    -1.447230961    
H        -0.9068639215       -0.9961539331        -1.288135511    
H         -1.279828908        0.2874985602       -0.5803351424    
    18
Energy=    -45.6003757171555    
O          1.690880620        0.5370288553        -1.486456192    
H          1.951073318         1.384971682        -1.844014658    
H         0.7316667242        0.4615432892        -1.635408953    
O        -0.2186230093        -2.562422836       -0.1294528820    
H         0.4612726346        -1.976138485        0.2794119114    
H         0.2423864831        -3.347621346       -0.4219938750    
O         -2.158333905        -2.129284658         1.791969369    
H         -3.012198944        -2.514844031         1.596484172    
H         -1.545526211        -2.487905965         1.127791274    
O         -1.341682263        0.4414910064         1.416785418    
H         -1.696713713         1.118525774         1.992197834    
H         -1.776608090       -0.3930880842         1.671237061    
O          1.313896027       -0.6850789743        0.9960298548    
H         0.5850128216       -0.1492106259         1.334030157    
H          1.652578995       -0.1762874498        0.2431514660    
O         -1.021309887       -0.4993089375E-01    -1.447854344    
H        -0.9069021977       -0.9953512467        -1.288883199    
H         -1.279639348        0.2888778130       -0.5819562372    
    18
Energy=    -45.5980953936586    
O          1.690675426        0.5364142302        -1.485999361    
H          1.951667428         1.384508204        -1.843263812    
H         0.7314350464        0.4617253201        -1.635001435    
O        -0.2196633801        -2.562492216       -0.1295591353    
H         0.4610080888        -1.975647767        0.2774798570    
H         0.2411156422        -3.346902159       -0.4245517627    
O         -2.157435470        -2.129817733         1.796005542    
H         -3.010476478        -2.513562633         1.593505131    
H         -1.541653561        -2.488616882         1.134209497    
O         -1.343824160        0.4413584737         1.415097509    
H         -1.697032472         1.118909604         1.990788175    
H         -1.777668140       -0.3934019557         1.671680215    
O          1.312595878       -0.6865798275        0.9952700029    
H         0.5842105706       -0.1506071180         1.334421274    
H          1.652578309       -0.1760930394        0.2442695549    
O         -1.019645819       -0.4903930641E-01    -1.448529942    
H        -0.9068262979       -0.9946003968        -1.289613520    
H         -1.279830557        0.2897190261       -0.5831396116    
    18
Energy=    -45.5962296560510    
O          1.690597891        0.5361543084        -1.485774781    
H          1.951998532         1.384030740        -1.842684383    
H         0.7312214564        0.4618213239        -1.634759552    
O        -0.2202037010        -2.562454807       -0.1295458603    
H         0.4607645181        -1.975228372        0.2761753585    
H         0.2403656133        -3.346653007       -0.4263517068    
O         -2.157110383        -2.130097884         1.798272513    
H         -3.009214308        -2.513252482         1.592155359    
H         -1.539283768        -2.489076282         1.138027029    
O         -1.345143852        0.4413665129         1.413944512    
H         -1.697173365         1.119192575         1.989855487    
H         -1.778490593       -0.3931743284         1.672021768    
O          1.311614476       -0.6876009020        0.9948479291    
H         0.5838121644       -0.1515580626         1.334742174    
H          1.652653932       -0.1759571320        0.2449966847    
O         -1.018417271       -0.4855103150E-01    -1.448998764    
H        -0.9067939602       -0.9939809113        -1.290057784    
H         -1.279967328        0.2902935656       -0.5837978041    
    18
Energy=    -45.5948527414052    
O          1.690519510        0.5359678770        -1.485620512    
H          1.952184314         1.383782815        -1.842358928    
H         0.7310752320        0.4618765512        -1.634652317    
O        -0.2204694692        -2.562473314       -0.1293022650    
H         0.4605762043        -1.974834139        0.2752043228    
H         0.2399037844        -3.346603255       -0.4274765181    
O         -2.156806373        -2.130441806         1.799635557    
H         -3.008670340        -2.512992038         1.591320632    
H         -1.537737855        -2.489300917         1.140296859    
O         -1.345842392        0.4414882547         1.413224444    
H         -1.697238403         1.119189003         1.989269992    
H         -1.779092821       -0.3929473400         1.672281339    
O          1.311108669       -0.6881788505        0.9945505346    
H         0.5835247187       -0.1520466094         1.334991789    
H          1.652660320       -0.1759984608        0.2454878507    
O         -1.017614551       -0.4840258933E-01    -1.449321871    
H        -0.9067613301       -0.9934532351        -1.290333613    
H         -1.280089164        0.2906418791       -0.5841291191    
    18
Energy=    -45.5932800166023    
O          1.690602698        0.5359226314        -1.485466948    
H          1.952257420         1.383412785        -1.841998716    
H         0.7308756044        0.4618369944        -1.634586808    
O        -0.2205957623        -2.562742599       -0.1287664271    
H         0.4603995254        -1.974300888        0.2738944755    
H         0.2396703080        -3.346695050       -0.4286522059    
O         -2.156554231        -2.130857778         1.800196117    
H         -3.008255847        -2.514156935         1.591989757    
H         -1.536836887        -2.489322205         1.141234504    
O         -1.346168959        0.4418685316         1.412559018    
H         -1.697116237         1.119689975         1.988787145    
H         -1.780155313       -0.3918889788         1.672400036    
O          1.310626051       -0.6886988084        0.9946542946    
H         0.5834318277       -0.1524355009         1.335373053    
H          1.652667941       -0.1762468521        0.2458342831    
O         -1.016814712       -0.4819216466E-01    -1.449601205    
H        -0.9066482014       -0.9929456361        -1.290482950    
H         -1.280155173        0.2910263026       -0.5842992448    
    18
Energy=    -45.5909885365371    
O          1.690686792        0.5354957921        -1.485005076    
H          1.952305179         1.383201811        -1.841630689    
H         0.7308421898        0.4614904514        -1.634488902    
O        -0.2204713282        -2.563611160       -0.1286570270    
H         0.4602504464        -1.973667876        0.2717805742    
H         0.2400402154        -3.346879588       -0.4302101288    
O         -2.157081035        -2.131069692         1.798298033    
H         -3.007107752        -2.520861313         1.597941094    
H         -1.537930604        -2.489323308         1.138838106    
O         -1.346083221        0.4440401189         1.411986304    
H         -1.695976719         1.122369600         1.988078482    
H         -1.783070995       -0.3883507253         1.672057551    
O          1.310492591       -0.6892546068        0.9953336014    
H         0.5837540397       -0.1527754788         1.336407468    
H          1.652507633       -0.1772649000        0.2463967173    
O         -1.015915077       -0.4774528861E-01    -1.449355156    
H        -0.9062210927       -0.9921664578        -1.290332688    
H         -1.279791208        0.2916464463       -0.5843700862    
    18
Energy=    -45.5873040571557    
O          1.690847492        0.5352572891        -1.484513076    
H          1.952227958         1.382766918        -1.841136830    
H         0.7307306250        0.4610553213        -1.634583295    
O        -0.2206989340        -2.564657643       -0.1288809656    
H         0.4601328395        -1.972680340        0.2685795516    
H         0.2401644352        -3.346848906       -0.4317350920    
O         -2.156749131        -2.132154871         1.797567266    
H         -3.006460852        -2.527201704         1.602712154    
H         -1.538285288        -2.490099625         1.137972739    
O         -1.346698033        0.4460845761         1.410975727    
H         -1.694568147         1.125805710         1.987415656    
H         -1.786377134       -0.3843755185         1.671414347    
O          1.310586654       -0.6899644564        0.9963743379    
H         0.5839761624       -0.1530968782         1.337688940    
H          1.652085080       -0.1786954904        0.2470037256    
O         -1.015035811       -0.4687407524E-01    -1.449141943    
H        -0.9052968091       -0.9914396250        -1.290154968    
H         -1.279351053        0.2923931447       -0.5844900954    
    18
Energy=    -45.5758716612577    
O          1.690407009        0.5343351815        -1.483600274    
H          1.952132804         1.382376664        -1.840365625    
H         0.7315830241        0.4599026202        -1.634755902    
O        -0.2211894948        -2.564845677       -0.1344149513    
H         0.4596598783        -1.972408851        0.2641513391    
H         0.2411749146        -3.346771490       -0.4334565670    
O         -2.157235868        -2.133742514         1.795053021    
H         -3.003962280        -2.543499461         1.614387441    
H         -1.541345015        -2.493855118         1.135608950    
O         -1.349781154        0.4519534294         1.409356664    
H         -1.690016781         1.135362491         1.985927710    
H         -1.793253769       -0.3753709879         1.669224182    
O          1.311332571       -0.6915879882        0.9990412112    
H         0.5852173331       -0.1541195548         1.340461232    
H          1.651217179       -0.1811395577        0.2479193732    
O         -1.014305455       -0.4465946857E-01    -1.448327822    
H        -0.9027572567       -0.9907297204        -1.289185246    
H         -1.277647586        0.2940738276       -0.5839565589    
    18
Energy=    -45.5636275924034    
O          1.690886614        0.5338446807        -1.483152487    
H          1.952043895         1.382056578        -1.839811706    
H         0.7318312085        0.4589297809        -1.635029762    
O        -0.2207840743        -2.562112117       -0.1436596588    
H         0.4582795349        -1.974428348        0.2640174192    
H         0.2422903427        -3.346934966       -0.4334422958    
O         -2.158805387        -2.134685245         1.792854199    
H         -3.001614902        -2.556401526         1.623194048    
H         -1.544215295        -2.498350599         1.134831835    
O         -1.353124101        0.4573871445         1.407432255    
H         -1.685907697         1.143903643         1.985249997    
H         -1.798097106       -0.3691404018         1.667529813    
O          1.312381044       -0.6927569597         1.000350588    
H         0.5866143122       -0.1553790396         1.342415161    
H          1.650627976       -0.1821475654        0.2487207134    
O         -1.014674789       -0.4410156084E-01    -1.447455385    
H        -0.9007139446       -0.9897794746        -1.288180346    
H         -1.275787574        0.2953698006       -0.5827962105    
    18
Energy=    -45.5561962393578    
O          1.691058080        0.5336437178        -1.483106374    
H          1.952070392         1.381957539        -1.839597141    
H         0.7320174160        0.4585419414        -1.635090070    
O        -0.2199158569        -2.560337705       -0.1490333508    
H         0.4571790364        -1.975415964        0.2655804492    
H         0.2426215183        -3.347515883       -0.4333512718    
O         -2.159592625        -2.135481412         1.791968409    
H         -3.001400535        -2.561524833         1.626921883    
H         -1.544889112        -2.500131836         1.134384881    
O         -1.354118160        0.4597810832         1.405799019    
H         -1.684456072         1.146182920         1.985052313    
H         -1.800118941       -0.3653617578         1.667600317    
O          1.312808538       -0.6931803302         1.000549758    
H         0.5872071530       -0.1561290944         1.343236292    
H          1.650678030       -0.1821266874        0.2489456377    
O         -1.015056165       -0.4391858785E-01    -1.447161606    
H        -0.9000242714       -0.9894123885        -1.287506066    
H         -1.274838370        0.2957031021       -0.5821249003    
    18
Energy=    -45.5483835141980    
O          1.691273101        0.5335647301        -1.483125119    
H          1.952087603         1.381815816        -1.839405393    
H         0.7321019892        0.4582484675        -1.635131684    
O        -0.2189657819        -2.558559383       -0.1533740170    
H         0.4560520360        -1.976183950        0.2671661876    
H         0.2428874301        -3.348348421       -0.4333771969    
O         -2.160547480        -2.136088415         1.791160124    
H         -3.001182681        -2.565312177         1.629861051    
H         -1.545242446        -2.501566985         1.134005020    
O         -1.354607379        0.4617727257         1.404212586    
H         -1.683496089         1.147236857         1.984881268    
H         -1.801708065       -0.3620149653         1.668057431    
O          1.313095151       -0.6934440864         1.000617679    
H         0.5876649917       -0.1568150997         1.343869178    
H          1.650825091       -0.1820027242        0.2490815901    
O         -1.015288052       -0.4413861529E-01    -1.447086720    
H        -0.8995949505       -0.9888154333        -1.286950420    
H         -1.274124414        0.2959254851       -0.5813933864    
    18
Energy=    -45.5450595602583    
O          1.691357115        0.5335973184        -1.483152055    
H          1.952081091         1.381737555        -1.839340868    
H         0.7320829381        0.4581869091        -1.635164742    
O        -0.2187059523        -2.557885394       -0.1544383062    
H         0.4556647204        -1.976386528        0.2675362735    
H         0.2429301268        -3.348678999       -0.4334036479    
O         -2.160769475        -2.136262454         1.791108678    
H         -3.001122375        -2.565873757         1.630188725    
H         -1.545153205        -2.502059456         1.134319955    
O         -1.354769326        0.4622829986         1.403731757    
H         -1.683302295         1.147251141         1.984808566    
H         -1.802050569       -0.3612698650         1.668273969    
O          1.313134432       -0.6934952537         1.000628579    
H         0.5877670495       -0.1570331355         1.344000378    
H          1.650866510       -0.1819472202        0.2491045755    
O         -1.015297125       -0.4439298444E-01    -1.447178643    
H        -0.8994909620       -0.9884966597        -1.286844951    
H         -1.273992644        0.2959996095       -0.5811100655    
    18
Energy=    -45.5420199989329    
O          1.691506347        0.5336517505        -1.483163601    
H          1.952053505         1.381625054        -1.839277238    
H         0.7320817336        0.4581038313        -1.635087191    
O        -0.2184175658        -2.557605040       -0.1545682492    
H         0.4555073195        -1.976632236        0.2677688342    
H         0.2433163549        -3.349001641       -0.4335732934    
O         -2.161666214        -2.135577721         1.789486975    
H         -3.000306492        -2.567999303         1.632566087    
H         -1.546283651        -2.501975389         1.132798177    
O         -1.354431616        0.4629085468         1.403906075    
H         -1.683075464         1.147625887         1.984699009    
H         -1.802420163       -0.3604580477         1.668293411    
O          1.313171962       -0.6935016515         1.000703569    
H         0.5879418057       -0.1570742314         1.344130791    
H          1.650947907       -0.1819711494        0.2491246827    
O         -1.015160218       -0.4477991920E-01    -1.447231298    
H        -0.8995997725       -0.9881849667        -1.286762201    
H         -1.273935724        0.2961200510       -0.5807463613    
    18
Energy=    -45.5360547568928    
O          1.691406630        0.5331651338        -1.482984965    
H          1.952157144         1.381938687        -1.839349621    
H         0.7324469875        0.4578742173        -1.634839340    
O        -0.2181154882        -2.558690901       -0.1561979226    
H         0.4558845538        -1.976924115        0.2688664290    
H         0.2439421018        -3.348663009       -0.4335989401    
O         -2.163156365        -2.135601980         1.787201553    
H         -2.999929072        -2.573516227         1.638629591    
H         -1.548014225        -2.501026928         1.127757446    
O         -1.353769030        0.4638022793         1.404037625    
H         -1.682354081         1.150108688         1.984925861    
H         -1.803709371       -0.3578945711         1.667671448    
O          1.313542445       -0.6937003821         1.000745424    
H         0.5882682748       -0.1568984904         1.344645500    
H          1.651064561       -0.1820966738        0.2492331885    
O         -1.015580931       -0.4345560640E-01    -1.446351496    
H        -0.8995752157       -0.9892278095        -1.286217227    
H         -1.273278864        0.2960815143       -0.5811063768    
    18
Energy=    -45.5104145232790    
O          1.692949377        0.5339457944        -1.483099942    
H          1.951783072         1.380796907        -1.838768069    
H         0.7324068149        0.4571856990        -1.634065563    
O        -0.2170836053        -2.560591063       -0.1560738322    
H         0.4567620206        -1.978206452        0.2704414323    
H         0.2470915221        -3.349162104       -0.4346543390    
O         -2.165452397        -2.133788421         1.780655204    
H         -2.998063634        -2.591005710         1.656363496    
H         -1.557580059        -2.496995482         1.109455150    
O         -1.351076835        0.4693128132         1.407591499    
H         -1.679466037         1.155124109         1.983602927    
H         -1.807881101       -0.3523578756         1.666077711    
O          1.313800136       -0.6939931172         1.001587166    
H         0.5896850854       -0.1561765521         1.345758213    
H          1.651589147       -0.1825504195        0.2491137067    
O         -1.015082353       -0.4460771876E-01    -1.446283192    
H        -0.9005260488       -0.9888394331        -1.285369951    
H         -1.272625051        0.2971828511       -0.5792634386    
    18
Energy=    -45.4707149759721    
O          1.693012896        0.5324824104        -1.482384339    
H          1.951987571         1.381523562        -1.838952001    
H         0.7337915167        0.4562260133        -1.632515089    
O        -0.2145499574        -2.563176640       -0.1539913108    
H         0.4576854043        -1.980483552        0.2724106239    
H         0.2521691807        -3.350162684       -0.4364762414    
O         -2.172563853        -2.126861549         1.763577269    
H         -2.991208211        -2.620500552         1.688291645    
H         -1.574768934        -2.491077014         1.080931707    
O         -1.345242255        0.4732236841         1.411629590    
H         -1.677014079         1.165188890         1.984078589    
H         -1.812654436       -0.3425536825         1.663661718    
O          1.314660445       -0.6938494385         1.002105700    
H         0.5917404073       -0.1549854643         1.347440121    
H          1.652242034       -0.1837506895        0.2497063895    
O         -1.014693010       -0.4443001716E-01    -1.443795214    
H        -0.9021881648       -0.9893381946        -1.284038378    
H         -1.271176500        0.2977987427       -0.5786126009    
    18
Energy=    -45.4339934402420    
O          1.693760353        0.5324622619        -1.482236851    
H          1.951865492         1.381129653        -1.838742974    
H         0.7341459564        0.4556233043        -1.631579035    
O        -0.2122195585        -2.565786241       -0.1521623725    
H         0.4583077492        -1.981659998        0.2735311437    
H         0.2547013705        -3.349939827       -0.4373246295    
O         -2.179195882        -2.119482730         1.748217468    
H         -2.984599796        -2.639849561         1.710430034    
H         -1.586478995        -2.487982027         1.064217744    
O         -1.341447982        0.4766341098         1.415165282    
H         -1.675546861         1.169622716         1.983579726    
H         -1.814886979       -0.3371025673         1.662724810    
O          1.315168246       -0.6937810951         1.002675257    
H         0.5929347748       -0.1543270341         1.348334186    
H          1.652803157       -0.1843145760        0.2499290881    
O         -1.014083756       -0.4423142023E-01    -1.442778046    
H        -0.9033685871       -0.9898726401        -1.283234322    
H         -1.270628649        0.2981314974       -0.5776783304    
    18
Energy=    -45.4138355841029    
O          1.693944768        0.5321522110        -1.482065300    
H          1.951878434         1.381160337        -1.838742390    
H         0.7345038702        0.4552913577        -1.630962221    
O        -0.2110613762        -2.566621091       -0.1505372503    
H         0.4586173208        -1.982451985        0.2741493844    
H         0.2566203378        -3.350416017       -0.4380363074    
O         -2.185159130        -2.113500455         1.735422474    
H         -2.979038366        -2.652319738         1.725915985    
H         -1.593650358        -2.486335138         1.054931311    
O         -1.338887668        0.4781263432         1.417255506    
H         -1.675039386         1.172363317         1.983572680    
H         -1.815674092       -0.3337965194         1.662223845    
O          1.315494685       -0.6937233309         1.003033326    
H         0.5936201064       -0.1539845374         1.348808495    
H          1.653183017       -0.1845989229        0.2500864248    
O         -1.013469937       -0.4464099058E-01    -1.442268992    
H        -0.9041883531       -0.9897749323        -1.282878726    
H         -1.270463817        0.2983439157       -0.5768400677    
    18
Energy=    -45.4028068995426    
O          1.694173768        0.5321128795        -1.482021602    
H          1.951852016         1.381037402        -1.838692093    
H         0.7346061704        0.4550965222        -1.630602405    
O        -0.2102529779        -2.567607753       -0.1497700176    
H         0.4589516999        -1.982716420        0.2747030181    
H         0.2574840941        -3.350347681       -0.4382967137    
O         -2.190271632        -2.108706691         1.725420850    
H         -2.974374589        -2.660066979         1.736335316    
H         -1.598034960        -2.485725068         1.050189728    
O         -1.337221463        0.4791622812         1.418588093    
H         -1.674908466         1.173460010         1.983481832    
H         -1.815779968       -0.3320074639         1.662177903    
O          1.315764346       -0.6936683923         1.003243904    
H         0.5939576206       -0.1538467679         1.349047821    
H          1.653451017       -0.1847029475        0.2502039967    
O         -1.013108185       -0.4448655765E-01    -1.441809897    
H        -0.9046777179       -0.9899973517        -1.282643939    
H         -1.270380720        0.2982848017       -0.5764876151    
    18
Energy=    -45.3919746082175    
O          1.694259489        0.5319759176        -1.481964925    
H          1.951876452         1.381051317        -1.838706672    
H         0.7346808497        0.4549763125        -1.630348224    
O        -0.2105968941        -2.568052037       -0.1493470608    
H         0.4597714452        -1.982286584        0.2755850498    
H         0.2583882316        -3.351055993       -0.4387220112    
O         -2.194459370        -2.104331201         1.717459032    
H         -2.969990213        -2.665387811         1.743542420    
H         -1.601870682        -2.485794533         1.047470929    
O         -1.335812410        0.4795944402         1.419230366    
H         -1.675174692         1.173668924         1.983528107    
H         -1.815497201       -0.3306215542         1.662611620    
O          1.316043123       -0.6937083184         1.003468280    
H         0.5940527214       -0.1537728134         1.349229847    
H          1.653756951       -0.1846319252        0.2501915918    
O         -1.012711449       -0.4461300365E-01    -1.441566693    
H        -0.9050901739       -0.9898927634        -1.282500034    
H         -1.270396124        0.2981554493       -0.5760934459    
    18
Energy=    -45.2936883992848    
O          1.694283311        0.5318487396        -1.481901913    
H          1.951753467         1.381157646        -1.838705313    
H         0.7350790559        0.4549125942        -1.630154011    
O        -0.2098102770        -2.567650183       -0.1481344145    
H         0.4579293607        -1.986586222        0.2726942166    
H         0.2599396389        -3.348781226       -0.4380987979    
O         -2.196710633        -2.111338952         1.712262744    
H         -2.976391481        -2.670808024         1.755926684    
H         -1.592525106        -2.479774043         1.043438687    
O         -1.337842857        0.4811706747         1.422768588    
H         -1.672129875         1.181570731         1.983464412    
H         -1.817554291       -0.3321338207         1.656760270    
O          1.315536004       -0.6939654460         1.003483381    
H         0.5950022066       -0.1530717367         1.349132226    
H          1.652914747       -0.1852706536        0.2505023053    
O         -1.013187740       -0.4551267231E-01    -1.441566076    
H        -0.9047218428       -0.9901880866        -1.282958210    
H         -1.270333634        0.2996945046       -0.5758466000    
    18
Energy=    -45.2873516067834    
O          1.694411073        0.5318499124        -1.481898974    
H          1.951731512         1.381101124        -1.838683702    
H         0.7350865724        0.4548463539        -1.630020519    
O        -0.2100978277        -2.568251215       -0.1481018867    
H         0.4584147371        -1.986610927        0.2730198869    
H         0.2604416118        -3.348679205       -0.4381451795    
O         -2.200432967        -2.110038361         1.707548159    
H         -2.973973055        -2.673514585         1.761031272    
H         -1.593007936        -2.479393808         1.041667949    
O         -1.337305297        0.4817197720         1.423469042    
H         -1.671975248         1.182403153         1.983463710    
H         -1.817554528       -0.3318316426         1.656394977    
O          1.315678163       -0.6940142816         1.003581724    
H         0.5951064918       -0.1529707662         1.349197471    
H          1.652975774       -0.1852765755        0.2505495479    
O         -1.013119168       -0.4536429885E-01    -1.441246178    
H        -0.9048578365       -0.9903742621        -1.282919397    
H         -1.270292018        0.2996734374       -0.5758397265    
    18
Energy=    -45.2836511646065    
O          1.694359585        0.5318669918        -1.481906601    
H          1.951731596         1.381126987        -1.838690906    
H         0.7350750249        0.4548902921        -1.630110633    
O        -0.2101932391        -2.567999623       -0.1482391893    
H         0.4582284954        -1.986692623        0.2727535429    
H         0.2602252639        -3.348595920       -0.4380575438    
O         -2.198350340        -2.111587151         1.710650418    
H         -2.975964160        -2.671704627         1.758225410    
H         -1.591763658        -2.479298153         1.042608703    
O         -1.337829382        0.4815011216         1.423212912    
H         -1.671877536         1.182352867         1.983458983    
H         -1.817676826       -0.3322887401         1.656253859    
O          1.315579783       -0.6940289293         1.003526118    
H         0.5950625834       -0.1529749488         1.349145759    
H          1.652877818       -0.1852880108        0.2505244400    
O         -1.013238716       -0.4542718272E-01    -1.441395532    
H        -0.9047182971       -0.9903348949        -1.282976974    
H         -1.270297941        0.2997563700       -0.5759145913    
    18
Energy=    -45.2609434302743    
O          1.695054750        0.5315800897        -1.481782155    
H          1.951759168         1.380771805        -1.838599819    
H         0.7352541582        0.4542442397        -1.628784728    
O        -0.2083236244        -2.571435854       -0.1460238678    
H         0.4607751341        -1.985218363        0.2768144281    
H         0.2631926407        -3.350170639       -0.4394793121    
O         -2.228461110        -2.087873314         1.665373508    
H         -2.945613585        -2.697885198         1.798001633    
H         -1.611914386        -2.481444599         1.029301801    
O         -1.329784855        0.4844271172         1.426545586    
H         -1.673713119         1.182059804         1.983532067    
H         -1.815661925       -0.3250234545         1.659106939    
O          1.317039314       -0.6937314120         1.004331944    
H         0.5956461710       -0.1530258340         1.349932643    
H          1.654437376       -0.1850858591        0.2508676434    
O         -1.011342878       -0.4456022704E-01    -1.439317766    
H        -0.9068674854       -0.9907465086        -1.282060963    
H         -1.270245689        0.2983920307       -0.5746914039    
    18
Energy=    -45.2366323730116    
O          1.695303023        0.5314306692        -1.481720752    
H          1.951763678         1.380651578        -1.838570675    
H         0.7353960064        0.4539801091        -1.628219535    
O        -0.2072132858        -2.572557485       -0.1448279581    
H         0.4613329433        -1.985413473        0.2779695832    
H         0.2645491373        -3.350427421       -0.4399189556    
O         -2.239817887        -2.078501619         1.645679582    
H         -2.935235562        -2.709856499         1.816094353    
H         -1.619024086        -2.481155671         1.023466777    
O         -1.326898718        0.4856611318         1.428421990    
H         -1.674115675         1.182937840         1.983564123    
H         -1.814827167       -0.3225039153         1.659581507    
O          1.317568593       -0.6936202110         1.004651273    
H         0.5960217419       -0.1530118976         1.350192052    
H          1.654964604       -0.1850595611        0.2510802223    
O         -1.010583488       -0.4442173386E-01    -1.438520122    
H        -0.9076923189       -0.9909166905        -1.281785600    
H         -1.270261482        0.2980586761       -0.5740696851    
    18
Energy=    -45.2306489337315    
O          1.695389510        0.5313721656        -1.481697488    
H          1.951766059         1.380616036        -1.838563072    
H         0.7354465782        0.4538873303        -1.628020279    
O        -0.2068695450        -2.572938742       -0.1444205084    
H         0.4615484593        -1.985486743        0.2783766761    
H         0.2650647891        -3.350541784       -0.4400859193    
O         -2.244979220        -2.075832448         1.639403748    
H         -2.930921791        -2.713237573         1.822126186    
H         -1.621033617        -2.481305122         1.021140254    
O         -1.325848680        0.4861368813         1.429063482    
H         -1.674256339         1.183317197         1.983598711    
H         -1.814566916       -0.3216695025         1.659724589    
O          1.317755450       -0.6935807404         1.004765618    
H         0.5961561772       -0.1530036824         1.350282140    
H          1.655144890       -0.1850518204        0.2511559029    
O         -1.010313011       -0.4439648681E-01    -1.438254783    
H        -0.9079805739       -0.9909648238        -1.281691715    
H         -1.270272165        0.2979536823       -0.5738353654    
    18
Energy=    -45.2256549527531    
O          1.695466204        0.5313201772        -1.481676791    
H          1.951768101         1.380584666        -1.838556374    
H         0.7354916453        0.4538050627        -1.627843552    
O        -0.2065656264        -2.573276240       -0.1440587176    
H         0.4617389314        -1.985554735        0.2787357076    
H         0.2655234964        -3.350641677       -0.4402335019    
O         -2.249578275        -2.073491915         1.633844481    
H         -2.927090297        -2.716213656         1.827469312    
H         -1.622798866        -2.481436374         1.019079409    
O         -1.324919268        0.4865599191         1.429634534    
H         -1.674379095         1.183659762         1.983629543    
H         -1.814336878       -0.3209331403         1.659847968    
O          1.317920882       -0.6935459389         1.004867080    
H         0.5962760096       -0.1529959459         1.350361778    
H          1.655304075       -0.1850452449        0.2512232532    
O         -1.010073559       -0.4437504719E-01    -1.438019691    
H        -0.9082357225       -0.9910076793        -1.281608942    
H         -1.270281704        0.2978618318       -0.5736273188    
    18
Energy=    -45.2080795053525    
O          1.695741849        0.5311338173        -1.481602057    
H          1.951775740         1.380473180        -1.838532787    
H         0.7356514924        0.4535105835        -1.627211587    
O        -0.2054934228        -2.574485710       -0.1427748535    
H         0.4624376793        -1.985787661        0.2800272917    
H         0.2671681254        -3.351004552       -0.4407635520    
O         -2.265435239        -2.063637196         1.614010052    
H         -2.914350309        -2.727958381         1.846902902    
H         -1.628744448        -2.482280103         1.011336500    
O         -1.321576769        0.4880736210         1.431663479    
H         -1.674826277         1.184881734         1.983746404    
H         -1.813531435       -0.3183105723         1.660297599    
O          1.318518716       -0.6934211619         1.005230958    
H         0.5967008423       -0.1529647326         1.350648816    
H          1.655874488       -0.1850217222        0.2514631118    
O         -1.009214770       -0.4430230642E-01    -1.437187303    
H        -0.9091485415       -0.9911591538        -1.281310852    
H         -1.270317666        0.2975341425       -0.5728759432    
    18
Energy=    -45.2004704292903    
O          1.696067567        0.5309828765        -1.481330281    
H          1.951813533         1.380292862        -1.838528953    
H         0.7359158120        0.4531217675        -1.626546704    
O        -0.2044896901        -2.575458131       -0.1403466129    
H         0.4636401297        -1.986231880        0.2812486756    
H         0.2683027330        -3.350817899       -0.4410596164    
O         -2.286397562        -2.056873874         1.585936992    
H         -2.895476667        -2.734262922         1.872578545    
H         -1.635557527        -2.480095635         1.002355307    
O         -1.318822752        0.4872980317         1.434927124    
H         -1.675500692         1.185191635         1.983383053    
H         -1.812993213       -0.3184182632         1.661102524    
O          1.319436168       -0.6931134694         1.005852270    
H         0.5973460443       -0.1527306158         1.350879373    
H          1.656619849       -0.1850134402        0.2517960099    
O         -1.008444245       -0.4434373684E-01    -1.436212309    
H        -0.9100331605       -0.9914630633        -1.280954339    
H         -1.270196274        0.2972095824       -0.5720128795    
    18
Energy=    -45.2079870040442    
O          1.696393286        0.5308319358        -1.481058504    
H          1.951851327         1.380112545        -1.838525119    
H         0.7361801316        0.4527329516        -1.625881821    
O        -0.2034859573        -2.576430551       -0.1379183723    
H         0.4648425802        -1.986676099        0.2824700595    
H         0.2694373407        -3.350631246       -0.4413556808    
O         -2.307359885        -2.050110553         1.557863933    
H         -2.876603025        -2.740567464         1.898254189    
H         -1.642370605        -2.477911167        0.9933741149    
O         -1.316068734        0.4865224424         1.438190769    
H         -1.676175107         1.185501536         1.983019701    
H         -1.812454992       -0.3185259542         1.661907449    
O          1.320353620       -0.6928057769         1.006473581    
H         0.5979912464       -0.1524964991         1.351109929    
H          1.657365210       -0.1850051581        0.2521289080    
O         -1.007673720       -0.4438516725E-01    -1.435237316    
H        -0.9109177796       -0.9917669728        -1.280597826    
H         -1.270074882        0.2968850223       -0.5711498157    
    18
Energy=    -45.2246772850535    
O          1.696631919        0.5307768189        -1.480718192    
H          1.951902613         1.379941568        -1.838542237    
H         0.7364428478        0.4524222149        -1.625463671    
O        -0.2030027364        -2.576719232       -0.1355564955    
H         0.4659819928        -1.987152133        0.2831437560    
H         0.2695953031        -3.350003792       -0.4412705189    
O         -2.322255724        -2.049873724         1.536588016    
H         -2.860848656        -2.738586222         1.917678941    
H         -1.647690062        -2.473567897        0.9862035704    
O         -1.315031559        0.4838619315         1.441275890    
H         -1.676729178         1.184778411         1.982402494    
H         -1.812966765       -0.3210673800         1.662017986    
O          1.321191112       -0.6924584274         1.007070538    
H         0.5986021016       -0.1521591409         1.351207423    
H          1.657963922       -0.1850190544        0.2524116922    
O         -1.007363321       -0.4451731506E-01    -1.434535781    
H        -0.9113623158       -0.9920747379        -1.280327783    
H         -1.269831441        0.2966919353       -0.5705174497    
    18
Energy=    -45.2297228395454    
O          1.696704705        0.5307599029        -1.480614857    
H          1.951918295         1.379890127        -1.838547593    
H         0.7365218526        0.4523280552        -1.625337140    
O        -0.2028612929        -2.576806827       -0.1348449993    
H         0.4663324857        -1.987292495        0.2833506669    
H         0.2696442577        -3.349816344       -0.4412456955    
O         -2.326636019        -2.049333874         1.530113058    
H         -2.856328963        -2.738330324         1.923708511    
H         -1.649181511        -2.472372718        0.9839166653    
O         -1.314711284        0.4830566250         1.442203959    
H         -1.676900244         1.184557421         1.982218003    
H         -1.813126667       -0.3218412031         1.662056271    
O          1.321446800       -0.6923531092         1.007251593    
H         0.5987856739       -0.1520560376         1.351237810    
H          1.658145784       -0.1850231534        0.2524968663    
O         -1.007268707       -0.4455866606E-01    -1.434326088    
H        -0.9114968883       -0.9921673024        -1.280245369    
H         -1.269758225        0.2966337471       -0.5703234829    
    18
Energy=    -45.2356752889298    
O          1.696785229        0.5307409912        -1.480500378    
H          1.951935573         1.379833409        -1.838553590    
H         0.7366095709        0.4522238321        -1.625197011    
O        -0.2027063215        -2.576903193       -0.1340566360    
H         0.4667203514        -1.987451284        0.2835774444    
H         0.2697007054        -3.349607423       -0.4412177579    
O         -2.331504048        -2.048767190         1.522966088    
H         -2.851317539        -2.738024293         1.930381018    
H         -1.650823632        -2.471045343        0.9813665074    
O         -1.314358864        0.4821672534         1.443232499    
H         -1.677087383         1.184320872         1.982014344    
H         -1.813301754       -0.3227029898         1.662098462    
O          1.321729614       -0.6922367463         1.007452002    
H         0.5989894962       -0.1519412524         1.351271122    
H          1.658346232       -0.1850280413        0.2525914717    
O         -1.007164253       -0.4460583623E-01    -1.434094061    
H        -0.9116455492       -0.9922698089        -1.280154786    
H         -1.269677372        0.2965708679       -0.5701085603    
    18
Energy=    -45.2624334667923    
O          1.697048469        0.5306685202        -1.480115786    
H          1.951992949         1.379654516        -1.838577224    
H         0.7369091915        0.4518771626        -1.624728198    
O        -0.2022259485        -2.577186706       -0.1314088505    
H         0.4680037118        -1.988059581        0.2842820821    
H         0.2699524754        -3.348901646       -0.4411240419    
O         -2.348645029        -2.047623465         1.499846556    
H         -2.834188871        -2.736279181         1.952490152    
H         -1.655864361        -2.466692557        0.9723046099    
O         -1.313200031        0.4792595700         1.446657397    
H         -1.677677271         1.183724876         1.981366133    
H         -1.813851435       -0.3257049631         1.662243930    
O          1.322668799       -0.6918507959         1.008117102    
H         0.5996804804       -0.1515473679         1.351375023    
H          1.658994931       -0.1850526714        0.2529159714    
O         -1.006815572       -0.4481255143E-01    -1.433333375    
H        -0.9121359741       -0.9925978132        -1.279868696    
H         -1.269416458        0.2963984785       -0.5693746073    
    18
Energy=    -45.2785453959377    
O          1.697171443        0.5306309427        -1.479933520    
H          1.952019835         1.379574168        -1.838589761    
H         0.7370521500        0.4517141227        -1.624506916    
O        -0.2020224265        -2.577310032       -0.1301592960    
H         0.4686120326        -1.988370158        0.2845988290    
H         0.2700976210        -3.348568626       -0.4410810212    
O         -2.357180589        -2.047438871         1.489316579    
H         -2.825885917        -2.735086103         1.962797024    
H         -1.658035219        -2.464696777        0.9677899888    
O         -1.312656155        0.4779166209         1.448265849    
H         -1.677943024         1.183517946         1.981073662    
H         -1.814099991       -0.3271708847         1.662315981    
O          1.323110258       -0.6916700638         1.008430096    
H         0.6000097418       -0.1513572111         1.351421507    
H          1.659293346       -0.1850669132        0.2530714880    
O         -1.006651337       -0.4492768375E-01    -1.432980386    
H        -0.9123649234       -0.9927477471        -1.279739504    
H         -1.269296792        0.2963310964       -0.5690224197    
    18
Energy=    -45.2999155473627    
O          1.697291457        0.5305879836        -1.479751052    
H          1.952047940         1.379500123        -1.838604547    
H         0.7371945543        0.4515523196        -1.624286594    
O        -0.2018429491        -2.577415969       -0.1289237230    
H         0.4692258340        -1.988672309        0.2849204753    
H         0.2702647987        -3.348267445       -0.4410514849    
O         -2.366286953        -2.047590346         1.479344026    
H         -2.817230885        -2.733429597         1.972801791    
H         -1.659994865        -2.462874031        0.9630598816    
O         -1.312080653        0.4766058612         1.449830118    
H         -1.678219018         1.183336433         1.980802884    
H         -1.814355967       -0.3286454333         1.662403877    
O          1.323550817       -0.6914889912         1.008740502    
H         0.6003348308       -0.1511686628         1.351468715    
H          1.659589511       -0.1850813333        0.2532261605    
O         -1.006482264       -0.4505999776E-01    -1.432640622    
H        -0.9125941621       -0.9928831997        -1.279612020    
H         -1.269181972        0.2962684200       -0.5686602080    
    18
Energy=    -45.3098096106758    
O          1.697359080        0.5305690060        -1.479655756    
H          1.952062675         1.379457340        -1.838611036    
H         0.7372652913        0.4514662732        -1.624170843    
O        -0.2017543812        -2.577494404       -0.1282903271    
H         0.4695697909        -1.988793094        0.2851180222    
H         0.2703375110        -3.348117337       -0.4410383945    
O         -2.371034308        -2.047598903         1.474091733    
H         -2.812598057        -2.732565144         1.978028278    
H         -1.661143748        -2.461950899        0.9606034625    
O         -1.311758788        0.4759090019         1.450647648    
H         -1.678378300         1.183178094         1.980654067    
H         -1.814509561       -0.3293859602         1.662453890    
O          1.323786134       -0.6913927735         1.008907359    
H         0.6005019649       -0.1510721946         1.351496793    
H          1.659753343       -0.1850851763        0.2533034658    
O         -1.006393068       -0.4511097690E-01    -1.432456967    
H        -0.9127171857       -0.9929608758        -1.279538237    
H         -1.269118339        0.2962218478       -0.5684749802    
    18
Energy=    -45.3391341601606    
O          1.697793793        0.5303716337        -1.478956098    
H          1.952194027         1.379203914        -1.838682051    
H         0.7377895198        0.4508494953        -1.623332100    
O        -0.2010562843        -2.577768297       -0.1237190488    
H         0.4719639888        -1.989523726        0.2866606729    
H         0.2709126323        -3.347407408       -0.4410879048    
O         -2.407964089        -2.048808782         1.439450054    
H         -2.776596783        -2.723829452         2.013739284    
H         -1.669324821        -2.456610930        0.9417592855    
O         -1.309012244        0.4708702663         1.456155777    
H         -1.679787868         1.181735636         1.979751017    
H         -1.815836718       -0.3344864628         1.662896840    
O          1.325508886       -0.6906583005         1.010081664    
H         0.6016614628       -0.1504345489         1.351725214    
H          1.660981591       -0.1851047703        0.2538633118    
O         -1.005659594       -0.4563017281E-01    -1.431245647    
H        -0.9136414350       -0.9933362310        -1.278989035    
H         -1.268696011        0.2958419602       -0.5670030571    
    18
Energy=    -45.3483158769982    
O          1.697629494        0.5305627226        -1.479363206    
H          1.952118538         1.379252538        -1.838611922    
H         0.7374331882        0.4511741718        -1.623794942    
O        -0.2013359658        -2.577995759       -0.1265062140    
H         0.4708495944        -1.988574020        0.2862567262    
H         0.2702214951        -3.347799465       -0.4410247219    
O         -2.385264519        -2.046399578         1.458171554    
H         -2.795647561        -2.729348623         1.993836922    
H         -1.667758983        -2.459960306        0.9525760341    
O         -1.310257770        0.4734629305         1.453085402    
H         -1.679262213         1.181329773         1.980125507    
H         -1.815450458       -0.3310464796         1.662569118    
O          1.324622037       -0.6910269758         1.009480730    
H         0.6009733428       -0.1508747105         1.351643370    
H          1.660450084       -0.1850250858        0.2535119331    
O         -1.006068398       -0.4498683157E-01    -1.431781087    
H        -0.9131602766       -0.9932661203        -1.279185522    
H         -1.268861573        0.2957956438       -0.5679215049    
    18
Energy=    -45.3719908872111    
O          1.697717455        0.5304576535        -1.479142010    
H          1.952172289         1.379219184        -1.838651270    
H         0.7376125596        0.4509940799        -1.623540605    
O        -0.2011153571        -2.577859059       -0.1250719884    
H         0.4714795275        -1.988819286        0.2867072510    
H         0.2704645812        -3.347761065       -0.4411087719    
O         -2.396995629        -2.047166151         1.448630481    
H         -2.784280533        -2.726059778         2.003990353    
H         -1.670105358        -2.458631865        0.9467064649    
O         -1.309319605        0.4719134647         1.454604158    
H         -1.679766905         1.180898106         1.979936171    
H         -1.815893178       -0.3325387691         1.662704499    
O          1.325145302       -0.6907992226         1.009812467    
H         0.6013058958       -0.1506988945         1.351717859    
H          1.660823066       -0.1850329274        0.2536878288    
O         -1.005806573       -0.4527059463E-01    -1.431488673    
H        -0.9134468536       -0.9932699256        -1.279031933    
H         -1.268760631        0.2956988746       -0.5673941022    
    18
Energy=    -45.3851222026251    
O          1.697780592        0.5304239576        -1.479031294    
H          1.952207201         1.379170612        -1.838664254    
H         0.7376868922        0.4508925659        -1.623401626    
O        -0.2008647036        -2.577840956       -0.1244041073    
H         0.4718131510        -1.988724157        0.2871622683    
H         0.2704132813        -3.347802704       -0.4411567505    
O         -2.402459623        -2.046939701         1.443891046    
H         -2.777419428        -2.724204746         2.008965782    
H         -1.672823386        -2.458256684        0.9436287516    
O         -1.308591443        0.4709636659         1.455318207    
H         -1.680236428         1.180025148         1.979830850    
H         -1.816359443       -0.3330378182         1.662686407    
O          1.325466759       -0.6906426964         1.009996719    
H         0.6014556563       -0.1506783777         1.351779929    
H          1.661103972       -0.1850016016        0.2537770084    
O         -1.005646138       -0.4531219558E-01    -1.431294957    
H        -0.9136136540       -0.9932793413        -1.278904475    
H         -1.268683203        0.2955188553       -0.5671113238    
    18
Energy=    -45.4239686351354    
O          1.697961516        0.5303091352        -1.478693909    
H          1.952347693         1.379005198        -1.838712065    
H         0.7378983963        0.4505786201        -1.622961095    
O        -0.1999468669        -2.577680181       -0.1225578620    
H         0.4727726250        -1.988004039        0.2890572700    
H         0.2699563097        -3.348186941       -0.4413403933    
O         -2.417263960        -2.044953534         1.430665662    
H         -2.754725878        -2.718056695         2.023133187    
H         -1.684354529        -2.457744432        0.9340317033    
O         -1.305922542        0.4676232920         1.457302091    
H         -1.682183352         1.175930707         1.979569534    
H         -1.818274870       -0.3339770009         1.662164115    
O          1.326582158       -0.6901060050         1.010577699    
H         0.6018410524       -0.1508141820         1.352017262    
H          1.662162487       -0.1847939877        0.2540549201    
O         -1.005094810       -0.4530232188E-01    -1.430647760    
H        -0.9141231280       -0.9932600411        -1.278446745    
H         -1.268402249        0.2947062331       -0.5661454362    
    18
Energy=    -45.4558065727996    
O          1.698060967        0.5299129950        -1.478220423    
H          1.952691822         1.378869806        -1.838906067    
H         0.7382846894        0.4502259679        -1.622259646    
O        -0.1993565243        -2.576419177       -0.1209618345    
H         0.4733578336        -1.986997228        0.2929575683    
H         0.2688917959        -3.348782187       -0.4412544579    
O         -2.429665638        -2.039793755         1.418976684    
H         -2.722672840        -2.707622362         2.040826206    
H         -1.706570256        -2.456005272        0.9177276557    
O         -1.302231257        0.4612495555         1.459932297    
H         -1.686423605         1.167308735         1.979925289    
H         -1.821882341       -0.3361155218         1.657262803    
O          1.328752315       -0.6894221655         1.011481351    
H         0.6022685388       -0.1519227046         1.352367049    
H          1.664159776       -0.1839450777        0.2547193624    
O         -1.004464566       -0.4517721035E-01    -1.429393924    
H        -0.9142336583       -0.9931897222        -1.277986364    
H         -1.267736999        0.2930991488       -0.5641253723    
    18
Energy=    -45.4662719036845    
O          1.698259347        0.5301488702        -1.478350910    
H          1.952635104         1.378639759        -1.838824407    
H         0.7381305315        0.4502731335        -1.622300705    
O        -0.1994547520        -2.576660168       -0.1216923382    
H         0.4730350505        -1.987078842        0.2931175011    
H         0.2685357099        -3.348235392       -0.4409207662    
O         -2.426104847        -2.039689907         1.422589389    
H         -2.724892953        -2.707390137         2.038738791    
H         -1.706758810        -2.455646782        0.9177012577    
O         -1.302574971        0.4616973748         1.459816859    
H         -1.686501699         1.166686937         1.979979265    
H         -1.822072274       -0.3366954191         1.656084836    
O          1.328817728       -0.6894799549         1.011441158    
H         0.6022306981       -0.1521987935         1.352344375    
H          1.664171345       -0.1838320481        0.2548159608    
O         -1.004653715       -0.4496631545E-01    -1.429260649    
H        -0.9139446568       -0.9933145839        -1.278077994    
H         -1.267626782        0.2930160932       -0.5641334450    
    18
Energy=    -45.4746580217316    
O          1.698742918        0.5305202588        -1.478397691    
H          1.952580184         1.378136526        -1.838703376    
H         0.7380044216        0.4501958824        -1.622127117    
O        -0.1994034512        -2.577290050       -0.1219480479    
H         0.4730219316        -1.987379195        0.2940057592    
H         0.2678263962        -3.346840214       -0.4402050194    
O         -2.428503813        -2.039460706         1.419670513    
H         -2.718901009        -2.704527402         2.044946501    
H         -1.710451123        -2.453123057        0.9123526851    
O         -1.302433757        0.4608955970         1.461119005    
H         -1.687245390         1.164683682         1.979891774    
H         -1.822923166       -0.3392914600         1.653560708    
O          1.329474555       -0.6893808420         1.011725335    
H         0.6025006600       -0.1526456213         1.352378429    
H          1.664602881       -0.1835782555        0.2551885065    
O         -1.004869189       -0.4454288322E-01    -1.428550732    
H        -0.9135723594       -0.9937479642        -1.278088162    
H         -1.267220636        0.2926495282       -0.5637508936    
    18
Energy=    -45.4877932062468    
O          1.698727591        0.5303381986        -1.478315490    
H          1.952685953         1.378156317        -1.838812174    
H         0.7381643186        0.4502086332        -1.621936918    
O        -0.1999898742        -2.576499104       -0.1220874926    
H         0.4725165985        -1.987844984        0.2948354314    
H         0.2676369742        -3.346484675       -0.4398477760    
O         -2.428158572        -2.039274903         1.420153540    
H         -2.714622936        -2.701335231         2.048610673    
H         -1.714164002        -2.450719594        0.9075377585    
O         -1.302500116        0.4591359551         1.461712988    
H         -1.688463766         1.162880758         1.980404952    
H         -1.823502093       -0.3414072214         1.650203305    
O          1.330120542       -0.6894232706         1.011956491    
H         0.6026642125       -0.1532415664         1.352443613    
H          1.665045423       -0.1832369453        0.2555632044    
O         -1.005031807       -0.4462273103E-01    -1.428135949    
H        -0.9130329833       -0.9937488066        -1.278232924    
H         -1.266865408        0.2923929934       -0.5629850566    
    18
Energy=    -45.5122532349032    
O          1.698799462        0.5295997425        -1.477748542    
H          1.953119402         1.378196285        -1.839270555    
H         0.7389658134        0.4501028305        -1.620959081    
O        -0.2017553716        -2.574042219       -0.1212423318    
H         0.4712123369        -1.989131210        0.2981009487    
H         0.2666012558        -3.345084168       -0.4387598339    
O         -2.441009203        -2.038812074         1.410207796    
H         -2.685373214        -2.686262966         2.072608500    
H         -1.729629231        -2.441291589        0.8857072836    
O         -1.301815669        0.4510940062         1.464639457    
H         -1.693655529         1.155014636         1.981968308    
H         -1.825844309       -0.3499568934         1.639055181    
O          1.332726460       -0.6894825312         1.013240317    
H         0.6037469252       -0.1550445487         1.353066596    
H          1.666968436       -0.1823523936        0.2571132505    
O         -1.005581922       -0.4479537814E-01    -1.426369964    
H        -0.9111077397       -0.9937260480        -1.278435325    
H         -1.265137848        0.2912483433       -0.5598538266    
    18
Energy=    -45.5174730484512    
O          1.699159804        0.5297755471        -1.477696054    
H          1.953129849         1.377886419        -1.839267783    
H         0.7389695988        0.4501088589        -1.620735884    
O        -0.2024449708        -2.573128665       -0.1209820141    
H         0.4705753768        -1.989262057        0.2986356932    
H         0.2662407575        -3.345043080       -0.4387012408    
O         -2.445397606        -2.038709483         1.407702802    
H         -2.677197483        -2.682013959         2.078143530    
H         -1.732561196        -2.439278516        0.8812628221    
O         -1.301833644        0.4498161785         1.464962437    
H         -1.694926663         1.152267620         1.982124983    
H         -1.826452197       -0.3523479415         1.636569529    
O          1.333257348       -0.6896790396         1.013560100    
H         0.6040593619       -0.1553799768         1.353464801    
H          1.667359604       -0.1823797518        0.2575766013    
O         -1.005767959       -0.4512281029E-01    -1.426248391    
H        -0.9103780852       -0.9933053791        -1.278492284    
H         -1.264561841        0.2910698614       -0.5588114697    
    18
Energy=    -45.5209501582208    
O          1.699250167        0.5297997267        -1.477639583    
H          1.953160187         1.377821359        -1.839304436    
H         0.7390106827        0.4501484885        -1.620642630    
O        -0.2027250590        -2.573092760       -0.1211385614    
H         0.4702085488        -1.988999650        0.2987697037    
H         0.2657015117        -3.344855154       -0.4386614948    
O         -2.447391845        -2.038345861         1.406936671    
H         -2.673294665        -2.680085040         2.079713815    
H         -1.733573586        -2.438894837        0.8803662994    
O         -1.301880697        0.4492173725         1.464532799    
H         -1.695658077         1.150783155         1.982274690    
H         -1.826638855       -0.3531333673         1.635713546    
O          1.333317069       -0.6898505521         1.013731325    
H         0.6042529274       -0.1554870791         1.353782587    
H          1.667484526       -0.1825467424        0.2577892639    
O         -1.005969017       -0.4494041691E-01    -1.426163889    
H        -0.9098839111       -0.9931870418        -1.278461285    
H         -1.264139852        0.2909222256       -0.5585306435    
    18
Energy=    -45.5242655449400    
O          1.699512218        0.5298464784        -1.477463332    
H          1.953266551         1.377594802        -1.839391352    
H         0.7391284479        0.4501861404        -1.620334739    
O        -0.2034024512        -2.572741115       -0.1212592739    
H         0.4694426668        -1.988559950        0.2996111667    
H         0.2644394228        -3.344321662       -0.4384379581    
O         -2.452696592        -2.037026348         1.403340491    
H         -2.660966574        -2.674490501         2.086542099    
H         -1.738894184        -2.436974377        0.8754983113    
O         -1.301717634        0.4469938368         1.464308810    
H         -1.697786310         1.146457280         1.982635789    
H         -1.827534061       -0.3557486455         1.632571208    
O          1.333830756       -0.6901486876         1.014251646    
H         0.6047609083       -0.1559447473         1.354481072    
H          1.668055418       -0.1827237205        0.2583994483    
O         -1.006323227       -0.4456538653E-01    -1.425715706    
H        -0.9087640361       -0.9929749836        -1.278401071    
H         -1.263121265        0.2904154127       -0.5575684332    
    18
Energy=    -45.5283501438220    
O          1.699570399        0.5298720411        -1.477339435    
H          1.953358452         1.377525688        -1.839479838    
H         0.7391865593        0.4503563236        -1.620232822    
O        -0.2043585913        -2.572373654       -0.1217926234    
H         0.4683757288        -1.988222800        0.2993697466    
H         0.2633500264        -3.343942795       -0.4383733121    
O         -2.453068869        -2.036299343         1.403520987    
H         -2.657196012        -2.671923116         2.087812687    
H         -1.739291665        -2.435942807        0.8757067884    
O         -1.302610771        0.4460861440         1.463060759    
H         -1.699016423         1.144078577         1.983001395    
H         -1.827452224       -0.3573802738         1.630539776    
O          1.333659950       -0.6907109820         1.014533244    
H         0.6051313167       -0.1561261565         1.355184329    
H          1.668119609       -0.1831837413        0.2588312871    
O         -1.006681013       -0.4421078058E-01    -1.425652574    
H        -0.9075820945       -0.9926416178        -1.278487118    
H         -1.262264324        0.2903131190       -0.5571351004    
    18
Energy=    -45.5439898543182    
O          1.699727435        0.5299923279        -1.476204657    
H          1.954177304         1.376994051        -1.839957524    
H         0.7393860533        0.4513951396        -1.619594636    
O        -0.2109387331        -2.569093461       -0.1239231868    
H         0.4626333758        -1.986306906        0.2982479320    
H         0.2569117279        -3.342335555       -0.4384014065    
O         -2.458042061        -2.033753258         1.398866025    
H         -2.631499260        -2.655263452         2.104291566    
H         -1.742217148        -2.426995038        0.8720226925    
O         -1.307075680        0.4396872114         1.456978125    
H         -1.706982342         1.129892906         1.984996071    
H         -1.827869624       -0.3687906359         1.617079721    
O          1.332799514       -0.6941967264         1.016402751    
H         0.6073214136       -0.1571846957         1.359426794    
H          1.668744297       -0.1859332606        0.2615697307    
O         -1.007284541       -0.4235000649E-01    -1.425116616    
H        -0.9011001357       -0.9904643886        -1.279319344    
H         -1.257461541        0.2899795732       -0.5542958601    
    18
Energy=    -45.5537628091859    
O          1.699108147        0.5304451790        -1.475233027    
H          1.954918708         1.376629728        -1.839827502    
H         0.7388120553        0.4523448735        -1.619913756    
O        -0.2134767879        -2.568036533       -0.1249684955    
H         0.4603973443        -1.984571985        0.2946247896    
H         0.2525959652        -3.342274301       -0.4395317229    
O         -2.453407762        -2.035619008         1.399369779    
H         -2.637401399        -2.655589692         2.104379312    
H         -1.729402320        -2.426866935        0.8827391160    
O         -1.309988214        0.4404015652         1.452673651    
H         -1.708484364         1.128219060         1.984520629    
H         -1.826868750       -0.3696778935         1.615792145    
O          1.329954574       -0.6965067556         1.016524922    
H         0.6076541114       -0.1564749764         1.361470875    
H          1.667537071       -0.1886213409        0.2623312015    
O         -1.004620534       -0.4088123096E-01    -1.426066805    
H        -0.8996803989       -0.9889864778        -1.280352734    
H         -1.256417390        0.2913405487       -0.5554641992    
    18
Energy=    -45.5551942557483    
O          1.698856363        0.5305943854        -1.474984893    
H          1.955136993         1.376558202        -1.839681630    
H         0.7385505260        0.4525688249        -1.620088900    
O        -0.2135422621        -2.568123874       -0.1251233512    
H         0.4607406258        -1.984151356        0.2935904500    
H         0.2518909902        -3.342537536       -0.4399585015    
O         -2.450528932        -2.036626882         1.400589214    
H         -2.643496175        -2.658343355         2.101803759    
H         -1.724479748        -2.428601678        0.8872798516    
O         -1.310122310        0.4416616335         1.452152299    
H         -1.707903251         1.129939739         1.983991376    
H         -1.826708082       -0.3682146263         1.617283303    
O          1.329074093       -0.6968385984         1.016262611    
H         0.6073116738       -0.1560973765         1.361491427    
H          1.666976501       -0.1891400267        0.2621582472    
O         -1.003308202       -0.4055589542E-01    -1.426548001    
H        -0.9003559073       -0.9887774659        -1.280685663    
H         -1.256862843        0.2919597098       -0.5564634204    
    18
Energy=    -45.5571792880583    
O          1.698737523        0.5310084110        -1.473961791    
H          1.956088231         1.375980474        -1.839398166    
H         0.7383214523        0.4533483752        -1.619683522    
O        -0.2146632191        -2.566308668       -0.1256196771    
H         0.4599429129        -1.983956786        0.2919370364    
H         0.2481919909        -3.342015881       -0.4403751344    
O         -2.448770973        -2.037249972         1.400723760    
H         -2.641293426        -2.656622581         2.105083535    
H         -1.720373034        -2.430297396        0.8911990518    
O         -1.311482843        0.4407518006         1.451963253    
H         -1.709593718         1.128620572         1.982915182    
H         -1.827394987       -0.3690716893         1.614060488    
O          1.327695813       -0.6980320606         1.016534542    
H         0.6071295946       -0.1566301630         1.361976414    
H          1.666311557       -0.1903148269        0.2626172084    
O         -1.000613217       -0.3912639888E-01    -1.427092283    
H        -0.9005819894       -0.9879225463        -1.281917854    
H         -1.256421613        0.2931131618       -0.5578938659    
    18
Energy=    -45.5610160522875    
O          1.698665366        0.5310390302        -1.473335271    
H          1.956695177         1.375810807        -1.839305655    
H         0.7383151572        0.4537541146        -1.619332408    
O        -0.2157034985        -2.565580620       -0.1261837629    
H         0.4601297379        -1.983634292        0.2917297623    
H         0.2463031251        -3.341735441       -0.4405091737    
O         -2.447912350        -2.037479819         1.401187311    
H         -2.638756754        -2.655065803         2.107418894    
H         -1.719751838        -2.431237571        0.8918728519    
O         -1.311353430        0.4401303801         1.451916966    
H         -1.710930584         1.127924556         1.982583695    
H         -1.828449750       -0.3700827164         1.611950160    
O          1.327538660       -0.6986155164         1.016514531    
H         0.6067010308       -0.1569848661         1.362162604    
H          1.666039916       -0.1907604160        0.2629486889    
O        -0.9991503381       -0.3860641984E-01    -1.427539253    
H        -0.9008711043       -0.9873537759        -1.282626677    
H         -1.256278469        0.2937521922       -0.5583850853    
    18
Energy=    -45.5647555273551    
O          1.698834734        0.5312684771        -1.472036860    
H          1.958006076         1.375248023        -1.839045969    
H         0.7383835356        0.4546016339        -1.618377663    
O        -0.2178416843        -2.563529997       -0.1272608907    
H         0.4601929105        -1.983315303        0.2915376224    
H         0.2422900800        -3.341115573       -0.4407086153    
O         -2.446797332        -2.037765685         1.402190003    
H         -2.630910407        -2.650511487         2.113743277    
H         -1.720096018        -2.432838158        0.8915828124    
O         -1.311363793        0.4380976138         1.452304846    
H         -1.714139614         1.125617367         1.981807365    
H         -1.830718062       -0.3725438294         1.606426792    
O          1.327308433       -0.6997309532         1.016811078    
H         0.6059328502       -0.1582410977         1.362381812    
H          1.665693328       -0.1914198907        0.2635847708    
O        -0.9965034215       -0.3726522810E-01    -1.428306199    
H        -0.9013310840       -0.9862756552        -1.284164030    
H         -1.255710479        0.2949935687       -0.5594019741    
    18
Energy=    -45.5682518146015    
O          1.699858049        0.5317375951        -1.469801843    
H          1.960436449         1.374350669        -1.838554377    
H         0.7392139780        0.4559236953        -1.616258832    
O        -0.2206319987        -2.560359322       -0.1288442383    
H         0.4590020535        -1.982586276        0.2911013623    
H         0.2357556019        -3.340728895       -0.4415270763    
O         -2.445765462        -2.039005378         1.403948742    
H         -2.617154298        -2.642747611         2.125748628    
H         -1.720854365        -2.434855566        0.8901426582    
O         -1.311803376        0.4350502326         1.451560296    
H         -1.720057554         1.120139534         1.980084995    
H         -1.833786038       -0.3752968296         1.598703481    
O          1.327046866       -0.7011662979         1.017600567    
H         0.6044512873       -0.1612442605         1.362648727    
H          1.665421460       -0.1923415983        0.2644208497    
O        -0.9943951701       -0.3457743559E-01    -1.429988394    
H        -0.9015757945       -0.9841506638        -1.286615696    
H         -1.253931633        0.2971322310       -0.5613016724    
    18
Energy=    -45.5696583736249    
O          1.700213001        0.5317147899        -1.469276122    
H          1.961042687         1.374349096        -1.838471386    
H         0.7397493698        0.4561661304        -1.615716843    
O        -0.2210732071        -2.560047982       -0.1291815060    
H         0.4584293887        -1.982459634        0.2907435216    
H         0.2347120560        -3.340779669       -0.4418439270    
O         -2.445404093        -2.039548331         1.404597564    
H         -2.615480324        -2.641945955         2.127707977    
H         -1.720345996        -2.435259339        0.8906115048    
O         -1.312377013        0.4350662226         1.450794137    
H         -1.721071273         1.119152884         1.979509115    
H         -1.833834718       -0.3754529146         1.598149154    
O          1.326981919       -0.7014137482         1.017708305    
H         0.6040334985       -0.1619841092         1.362651155    
H          1.665343256       -0.1924935818        0.2645665926    
O        -0.9948592236       -0.3397410533E-01    -1.430667477    
H        -0.9014503394       -0.9835538535        -1.287086049    
H         -1.253378935        0.2977379244       -0.5617275376    
    18
Energy=    -45.5721807280662    
O          1.701287863        0.5318487938        -1.468176190    
H          1.962334324         1.374204714        -1.838151977    
H         0.7409255000        0.4566353274        -1.614593733    
O        -0.2219363259        -2.559696305       -0.1298884793    
H         0.4574265993        -1.982383264        0.2898616724    
H         0.2329113390        -3.340893642       -0.4425514823    
O         -2.444431060        -2.040849891         1.406126872    
H         -2.613070543        -2.641308753         2.131237524    
H         -1.719066831        -2.436505109        0.8922483273    
O         -1.313634818        0.4354240240         1.448978174    
H         -1.722961157         1.118195077         1.978254210    
H         -1.833625060       -0.3755438096         1.597822596    
O          1.326889025       -0.7018991511         1.017754067    
H         0.6029780663       -0.1635090873         1.362456545    
H          1.665098334       -0.1926886790        0.2648840729    
O        -0.9961729442       -0.3275359051E-01    -1.432250735    
H        -0.9013954664       -0.9821873218        -1.288123815    
H         -1.252326790        0.2991844920       -0.5628194714    
    18
Energy=    -45.5753810251264    
O          1.703115430        0.5320975886        -1.466059106    
H          1.964794897         1.373906784        -1.837423289    
H         0.7430309768        0.4574897922        -1.612797241    
O        -0.2236169064        -2.559256798       -0.1312725650    
H         0.4565208250        -1.982670625        0.2882813671    
H         0.2300706653        -3.340914875       -0.4437456298    
O         -2.442009714        -2.043203577         1.409510268    
H         -2.610035664        -2.641526754         2.136654226    
H         -1.716855651        -2.439722167        0.8958971701    
O         -1.315809276        0.4363894924         1.446463619    
H         -1.725794862         1.118392306         1.975743989    
H         -1.833292776       -0.3757447749         1.597485134    
O          1.326127682       -0.7028356373         1.018005335    
H         0.6012076999       -0.1662509961         1.361564261    
H          1.664675383       -0.1925814897        0.2652239595    
O        -0.9976934311       -0.3069630595E-01    -1.435309799    
H        -0.9020761189       -0.9797029336        -1.290213141    
H         -1.251129105        0.3021047959       -0.5649403807    
    18
Energy=    -45.5787312684669    
O          1.706174644        0.5327934239        -1.462830312    
H          1.968539516         1.373135725        -1.836076412    
H         0.7459520565        0.4587415521        -1.610328961    
O        -0.2261527511        -2.558337155       -0.1332365137    
H         0.4553584727        -1.983472129        0.2858420149    
H         0.2261455038        -3.341106063       -0.4456427566    
O         -2.438165518        -2.046688925         1.414924398    
H         -2.605578400        -2.642435125         2.144661639    
H         -1.713965513        -2.444902114        0.9015198152    
O         -1.318999275        0.4376839514         1.442865343    
H         -1.729960661         1.119669745         1.971914673    
H         -1.832786179       -0.3760955886         1.596990663    
O          1.325798535       -0.7044208177         1.017275132    
H         0.5978135236       -0.1697541887         1.360376937    
H          1.663767915       -0.1926765323        0.2664501393    
O        -0.9996866931       -0.2706057941E-01    -1.439406663    
H        -0.9034695359       -0.9762307822        -1.293467027    
H         -1.249555587        0.3064294268       -0.5687639291    
    18
Energy=    -45.5812797173857    
O          1.706562026        0.5328975934        -1.462143092    
H          1.969329687         1.372996795        -1.835704192    
H         0.7464412207        0.4589154157        -1.610260051    
O        -0.2265979551        -2.558396071       -0.1336673670    
H         0.4556135897        -1.983935201        0.2855191610    
H         0.2258488165        -3.341008732       -0.4459542257    
O         -2.437460169        -2.047132275         1.416219472    
H         -2.604622854        -2.643211802         2.145929712    
H         -1.714378439        -2.445991810        0.9023329562    
O         -1.319375592        0.4379036736         1.442621679    
H         -1.730430930         1.120866007         1.971113846    
H         -1.832802153       -0.3764394209         1.596863747    
O          1.325226592       -0.7047608599         1.017228980    
H         0.5974521205       -0.1702599788         1.359896964    
H          1.663780393       -0.1923681181        0.2666733857    
O        -0.9992920768       -0.2657131898E-01    -1.439964055    
H        -0.9042139521       -0.9754768934        -1.294193210    
H         -1.249850269        0.3072468220       -0.5694455316    
    18
Energy=    -45.5837777814086    
O          1.707127841        0.5331573543        -1.461010551    
H          1.970658889         1.372695565        -1.835001764    
H         0.7471301109        0.4591695608        -1.610409102    
O        -0.2273201785        -2.558502857       -0.1343767481    
H         0.4559595838        -1.984656554        0.2849858556    
H         0.2254756984        -3.340996502       -0.4465980563    
O         -2.436443529        -2.047851090         1.418556405    
H         -2.602838990        -2.644496242         2.148071014    
H         -1.715172807        -2.447532863        0.9035303949    
O         -1.320015212        0.4381468005         1.442206600    
H         -1.731151202         1.122620122         1.969686799    
H         -1.832819839       -0.3768800241         1.596580363    
O          1.324300785       -0.7054599881         1.016921004    
H         0.5967654508       -0.1707527295         1.359303238    
H          1.663849239       -0.1919760673        0.2672516422    
O        -0.9982304792       -0.2543457986E-01    -1.440778206    
H        -0.9054849733       -0.9744873244        -1.295358324    
H         -1.250560332        0.3085112436       -0.5704923852    
    18
Energy=    -45.5863280526954    
O          1.707973060        0.5334894588        -1.459392388    
H          1.972577415         1.372317464        -1.834132440    
H         0.7481611882        0.4595985967        -1.610425790    
O        -0.2284977282        -2.558449917       -0.1354421700    
H         0.4554396106        -1.985189928        0.2841126385    
H         0.2242026840        -3.341046183       -0.4476529653    
O         -2.435894918        -2.048930277         1.421260216    
H         -2.598033327        -2.644488527         2.152846674    
H         -1.716085947        -2.448574084        0.9045256244    
O         -1.321179080        0.4380163573         1.440753411    
H         -1.733000998         1.122813242         1.967774480    
H         -1.832906423       -0.3778479357         1.595400560    
O          1.323140239       -0.7065378574         1.016645803    
H         0.5958762835       -0.1715856394         1.359033590    
H          1.664008494       -0.1919077964        0.2682751681    
O        -0.9972164351       -0.2367868977E-01    -1.441757956    
H        -0.9064698541       -0.9728259269        -1.296961297    
H         -1.250864208        0.3101014676       -0.5717949820    
    18
Energy=    -45.5948350612821    
O          1.711451823        0.5349008843        -1.453019447    
H          1.980435684         1.370893099        -1.830499667    
H         0.7526500664        0.4612803904        -1.610609924    
O        -0.2327987831        -2.558939915       -0.1397815189    
H         0.4526220338        -1.987048751        0.2801647117    
H         0.2195618258        -3.341734093       -0.4524022158    
O         -2.433121307        -2.053835715         1.433400431    
H         -2.581091546        -2.645901857         2.170757480    
H         -1.718362412        -2.452438469        0.9096205610    
O         -1.326100399        0.4382667481         1.433869280    
H         -1.740091386         1.123339626         1.959630268    
H         -1.832734062       -0.3802957828         1.592344513    
O          1.318306504       -0.7107078144         1.015544466    
H         0.5920502434       -0.1746706930         1.358103295    
H          1.664650593       -0.1919095110        0.2723231214    
O        -0.9936726579       -0.1611194839E-01    -1.446318794    
H        -0.9102643742       -0.9664613479        -1.303271304    
H         -1.252261792        0.3166489756       -0.5767870787    
    18
Energy=    -45.6064244879515    
O          1.717266434        0.5369690149        -1.443297913    
H          1.993091568         1.368974677        -1.824915333    
H         0.7599006097        0.4643307636        -1.610377832    
O        -0.2400432763        -2.559920254       -0.1468442562    
H         0.4456813062        -1.988891427        0.2729807348    
H         0.2110573785        -3.343007775       -0.4606213374    
O         -2.429563285        -2.061744530         1.452535358    
H         -2.551321017        -2.646091203         2.201034983    
H         -1.720559623        -2.456394354        0.9176915143    
O         -1.334286641        0.4379830841         1.421134927    
H         -1.752435665         1.120279401         1.946521616    
H         -1.832883250       -0.3839593474         1.586841590    
O          1.310813827       -0.7169516961         1.014865789    
H         0.5860459041       -0.1792240186         1.357699167    
H          1.665275895       -0.1937671282        0.2788845662    
O        -0.9889601439       -0.4443764289E-02    -1.452632294    
H        -0.9146837726       -0.9553482880        -1.313452883    
H         -1.253166194        0.3264806709       -0.5849802194    
    18
Energy=    -45.6100210698725    
O          1.718063477        0.5372263338        -1.442479466    
H          1.994624224         1.368846896        -1.824241891    
H         0.7609980993        0.4648244524        -1.610165115    
O        -0.2409650534        -2.560345852       -0.1477773640    
H         0.4438383115        -1.988735795        0.2717016023    
H         0.2100187980        -3.343353449       -0.4619522554    
O         -2.428984711        -2.062762103         1.455459799    
H         -2.547953568        -2.646124444         2.204223401    
H         -1.719997420        -2.456111730        0.9191400816    
O         -1.335511386        0.4379827855         1.418794820    
H         -1.753998974         1.118829825         1.944806870    
H         -1.832833191       -0.3838439135         1.586580771    
O          1.310014405       -0.7175245327         1.015219103    
H         0.5852317814       -0.1794644691         1.358010343    
H          1.665183660       -0.1946585033        0.2795951045    
O        -0.9889051742       -0.2737356470E-02    -1.453816866    
H        -0.9145620796       -0.9543621985        -1.314540849    
H         -1.253031144        0.3275878785       -0.5854899133    
    18
Energy=    -45.6135938362647    
O          1.720998431        0.5378518492        -1.439279200    
H          1.999920784         1.368373452        -1.822083621    
H         0.7642664290        0.4667200461        -1.609081024    
O        -0.2449865891        -2.560842845       -0.1509916654    
H         0.4389102431        -1.988768803        0.2679497725    
H         0.2056721765        -3.343702182       -0.4658547113    
O         -2.427823872        -2.065832811         1.463570349    
H         -2.532794983        -2.644502932         2.217853811    
H         -1.720001118        -2.456018960        0.9223922867    
O         -1.339286545        0.4369498327         1.412686826    
H         -1.759886899         1.115041768         1.939248596    
H         -1.833639024       -0.3856379600         1.583298498    
O          1.307432301       -0.7196862977         1.016603005    
H         0.5826232712       -0.1808201259         1.358539085    
H          1.664756696       -0.1972598869        0.2820170570    
O        -0.9879101214        0.2111242650E-02    -1.456757602    
H        -0.9147381085       -0.9499774072        -1.318775588    
H         -1.252283018        0.3312758437       -0.5882676958    
    18
Energy=    -45.6151424842523    
O          1.721527392        0.5378975324        -1.438891801    
H          2.000785031         1.368323550        -1.821677450    
H         0.7647552872        0.4671252735        -1.608846780    
O        -0.2457230307        -2.560942747       -0.1515180399    
H         0.4384577105        -1.988996724        0.2673727799    
H         0.2051971556        -3.343636454       -0.4664678943    
O         -2.427210191        -2.066251935         1.465132637    
H         -2.530893481        -2.644920857         2.219476982    
H         -1.720175427        -2.456454485        0.9230895677    
O         -1.339697920        0.4368256824         1.412289929    
H         -1.760510776         1.115478018         1.938244642    
H         -1.834022607       -0.3859160924         1.582887804    
O          1.306996923       -0.7198995025         1.016971912    
H         0.5821357024       -0.1808683023         1.358357095    
H          1.664523025       -0.1977046669        0.2822768695    
O        -0.9874684603        0.2652564174E-02    -1.457110340    
H        -0.9150727055       -0.9492627009        -1.319563203    
H         -1.252373572        0.3318256708       -0.5889565335    
    18
Energy=    -45.6255533784475    
O          1.729213230        0.5383490966        -1.434324934    
H          2.012983350         1.367825443        -1.815936813    
H         0.7721973356        0.4731307722        -1.605086824    
O        -0.2559978151        -2.562482067       -0.1591270693    
H         0.4287064785        -1.990913333        0.2594027602    
H         0.1976204722        -3.343001425       -0.4760416889    
O         -2.421618583        -2.072288708         1.485364918    
H         -2.498134516        -2.647467791         2.246203198    
H         -1.722960629        -2.458752456        0.9302525049    
O         -1.346272008        0.4340351900         1.404302833    
H         -1.770534580         1.116149400         1.924004308    
H         -1.839456397       -0.3895562929         1.577239119    
O          1.300984330       -0.7229829926         1.022800196    
H         0.5753517907       -0.1808687900         1.357314692    
H          1.661507158       -0.2055224395        0.2862277499    
O        -0.9827878019        0.1156309429E-01    -1.463390961    
H        -0.9172057334       -0.9406867690        -1.329994026    
H         -1.252366027        0.3387438911       -0.5961417852    
    18
Energy=    -45.6300632570480    
O          1.732569275        0.5378403606        -1.434084220    
H          2.017760945         1.368014989        -1.813166260    
H         0.7750411642        0.4760429276        -1.603392427    
O        -0.2598372206        -2.562916011       -0.1626886201    
H         0.4238744901        -1.991540346        0.2576378157    
H         0.1950567266        -3.342364852       -0.4806920167    
O         -2.418684508        -2.074921905         1.493183297    
H         -2.486698927        -2.650447048         2.254818326    
H         -1.723158990        -2.459198236        0.9328597497    
O         -1.349033671        0.4332874866         1.401559250    
H         -1.773097442         1.117967422         1.917883101    
H         -1.842179462       -0.3894123943         1.578048366    
O          1.297528814       -0.7240129877         1.024997281    
H         0.5724561288       -0.1793124353         1.356826883    
H          1.660150926       -0.2094829523        0.2873842425    
O        -0.9811912054        0.1440244946E-01    -1.465996246    
H        -0.9171705286       -0.9385626385        -1.334001494    
H         -1.252156460        0.3398899969       -0.5981088505    
    18
Energy=    -45.6337521357323    
O          1.736452864        0.5371063626        -1.434470029    
H          2.024451000         1.367958936        -1.808618691    
H         0.7795797975        0.4799876859        -1.601230596    
O        -0.2643394781        -2.562587291       -0.1678814725    
H         0.4165756580        -1.992751192        0.2563839567    
H         0.1911916707        -3.340822096       -0.4874887950    
O         -2.413842461        -2.079065951         1.503653468    
H         -2.472280248        -2.655685696         2.265697822    
H         -1.722485430        -2.460148811        0.9364668892    
O         -1.352821381        0.4331727659         1.397443502    
H         -1.776224256         1.121934996         1.909445620    
H         -1.846103518       -0.3885788751         1.581580750    
O          1.291484586       -0.7255059694         1.026623348    
H         0.5683868327       -0.1770137322         1.355807384    
H          1.658472782       -0.2148631715        0.2892237313    
O        -0.9791407512        0.1777898439E-01    -1.469352647    
H        -0.9165189955       -0.9360349263        -1.339726846    
H         -1.251608617        0.3403918056       -0.6004892155    
    18
Energy=    -45.6436469978613    
O          1.738234183        0.5344558175        -1.435541570    
H          2.028259967         1.367915481        -1.803538469    
H         0.7800327654        0.4811046790        -1.602405751    
O        -0.2685080868        -2.557254231       -0.1722324920    
H         0.4120160995        -1.992300204        0.2617741863    
H         0.1860669069        -3.335831967       -0.4926530311    
O         -2.408855155        -2.082369378         1.506218121    
H         -2.464445400        -2.658975930         2.268502794    
H         -1.718408040        -2.461353432        0.9355785882    
O         -1.357145922        0.4347815626         1.397692840    
H         -1.777023764         1.127977286         1.905368970    
H         -1.848401212       -0.3851812669         1.589815891    
O          1.284102081       -0.7282477024         1.023187824    
H         0.5647045694       -0.1752390447         1.353442926    
H          1.658103209       -0.2168948753        0.2894208145    
O        -0.9775556555        0.1630534567E-01    -1.469000959    
H        -0.9106942826       -0.9373669536        -1.343827913    
H         -1.249252208        0.3337486390       -0.5987345923    
    18
Energy=    -45.6454009626021    
O          1.739286712        0.5343708804        -1.434213148    
H          2.030615949         1.367473767        -1.801802342    
H         0.7813634106        0.4816846399        -1.602456264    
O        -0.2711095837        -2.556383879       -0.1737350137    
H         0.4097406242        -1.992047617        0.2606168143    
H         0.1833798774        -3.334767242       -0.4947270123    
O         -2.407221043        -2.083410757         1.509769373    
H         -2.456863237        -2.658574317         2.273406899    
H         -1.718425135        -2.461788181        0.9366981775    
O         -1.358916903        0.4346430851         1.396123967    
H         -1.779751112         1.127850742         1.903075023    
H         -1.849244734       -0.3858627058         1.588993308    
O          1.282515021       -0.7292682796         1.023559398    
H         0.5630034954       -0.1758637884         1.352842133    
H          1.657495064       -0.2181607550        0.2901099455    
O        -0.9764508213        0.1768934754E-01    -1.469857043    
H        -0.9094701183       -0.9360785711        -1.346088863    
H         -1.248717411        0.3337674546       -0.5992471743    
    18
Energy=    -45.6498608127229    
O          1.744329530        0.5335679536        -1.427975013    
H          2.040667916         1.365659174        -1.794114776    
H         0.7871256010        0.4838401434        -1.602899223    
O        -0.2813766436        -2.553389938       -0.1797401593    
H         0.4003508527        -1.990576227        0.2553671181    
H         0.1726433231        -3.330647116       -0.5039596105    
O         -2.400981671        -2.087932239         1.525426779    
H         -2.423745206        -2.657583951         2.294778337    
H         -1.720823360        -2.463269278        0.9395644616    
O         -1.366045534        0.4344079539         1.390090283    
H         -1.791529866         1.127945236         1.893133604    
H         -1.852384508       -0.3880655258         1.586271530    
O          1.276261833       -0.7329241889         1.025021822    
H         0.5553884195       -0.1790846527         1.349621279    
H          1.654705285       -0.2230111238        0.2929636602    
O        -0.9718129744        0.2367413571E-01    -1.473686802    
H        -0.9046144080       -0.9309944534        -1.355516229    
H         -1.246928535        0.3336579220       -0.6012788819    
    18
Energy=    -45.6512830222689    
O          1.745096817        0.5328301427        -1.426726323    
H          2.042482917         1.365055602        -1.791566710    
H         0.7884361797        0.4836538027        -1.603506056    
O        -0.2835861923        -2.552591465       -0.1806532519    
H         0.3981206474        -1.989274452        0.2534109223    
H         0.1703432834        -3.329176182       -0.5066020725    
O         -2.398970453        -2.088597784         1.528656081    
H         -2.417546522        -2.658640600         2.297266703    
H         -1.721139041        -2.462792091        0.9401285411    
O         -1.367632255        0.4353734380         1.389584844    
H         -1.794070009         1.129038823         1.891355786    
H         -1.852442550       -0.3874029606         1.587548182    
O          1.274910224       -0.7338559124         1.025391122    
H         0.5528517622       -0.1795311217         1.348474886    
H          1.653485003       -0.2237916720        0.2925314736    
O        -0.9704943981        0.2400144817E-01    -1.473960993    
H        -0.9021536386       -0.9309776245        -1.357286547    
H         -1.246461720        0.3319524349       -0.6009784109    
    18
Energy=    -45.6526619019719    
O          1.744826548        0.5317208246        -1.427530517    
H          2.041363156         1.365030175        -1.790714132    
H         0.7878598567        0.4825029321        -1.603249460    
O        -0.2817124207        -2.553012240       -0.1799359834    
H         0.4001566480        -1.988533213        0.2525150565    
H         0.1721706867        -3.329252058       -0.5068251142    
O         -2.399823881        -2.088692237         1.526685129    
H         -2.422772970        -2.661694122         2.293473065    
H         -1.721044655        -2.461592501        0.9388933908    
O         -1.366279897        0.4371906934         1.392215439    
H         -1.792760905         1.132020612         1.892300520    
H         -1.851138941       -0.3847831747         1.591649062    
O          1.274860508       -0.7326016031         1.024246567    
H         0.5525390274       -0.1793659161         1.347920505    
H          1.652413895       -0.2225595529        0.2911445362    
O        -0.9701078284        0.2171543787E-01    -1.473125249    
H        -0.9023267398       -0.9332718192        -1.355771120    
H         -1.246992034        0.3304515871       -0.6008235175    
    18
Energy=    -45.6543973567517    
O          1.745622471        0.5294866963        -1.427496965    
H          2.041815639         1.364327761        -1.787368634    
H         0.7882593548        0.4812091824        -1.601639938    
O        -0.2822585331        -2.551288122       -0.1823053246    
H         0.4007203025        -1.987109691        0.2489559964    
H         0.1704282907        -3.328274376       -0.5091162050    
O         -2.399483697        -2.088577337         1.527478178    
H         -2.419732469        -2.661946363         2.294010275    
H         -1.719511599        -2.458796629        0.9393558083    
O         -1.366303394        0.4385925629         1.394473199    
H         -1.795601696         1.133421432         1.892330611    
H         -1.850870269       -0.3838906017         1.593232332    
O          1.272872518       -0.7325266137         1.022769224    
H         0.5508595276       -0.1799950061         1.348030881    
H          1.649432682       -0.2216829381        0.2897223710    
O        -0.9681332444        0.1922275661E-01    -1.472971301    
H        -0.9007523686       -0.9356705914        -1.354979538    
H         -1.246133460        0.3287717025       -0.6014127916    
    18
Energy=    -45.6555731887647    
O          1.748103213        0.5275231337        -1.425800061    
H          2.044703823         1.363557472        -1.782504307    
H         0.7907552530        0.4799397635        -1.600179509    
O        -0.2845210352        -2.549733424       -0.1877865691    
H         0.3990148717        -1.987170294        0.2449287466    
H         0.1670930649        -3.327820147       -0.5132632928    
O         -2.397227175        -2.088468970         1.533014595    
H         -2.407995350        -2.660001206         2.300793622    
H         -1.719991710        -2.457214271        0.9406871550    
O         -1.368695383        0.4387726508         1.393756496    
H         -1.801083575         1.132948635         1.889855756    
H         -1.852058069       -0.3845717768         1.592621902    
O          1.269641470       -0.7335666360         1.021544911    
H         0.5484676333       -0.1810740476         1.349015910    
H          1.646985996       -0.2209817031        0.2898984204    
O        -0.9666932636        0.1918927994E-01    -1.474471897    
H        -0.8998777050       -0.9356790192        -1.355633574    
H         -1.245392005        0.3296243844       -0.6034101271    
    18
Energy=    -45.6568570451123    
O          1.750082891        0.5236551092        -1.426026064    
H          2.043958290         1.364164519        -1.774637886    
H         0.7930983191        0.4747151698        -1.601966056    
O        -0.2850126900        -2.551861405       -0.1917693077    
H         0.3976401875        -1.989596592        0.2422926078    
H         0.1669777012        -3.328486570       -0.5203599984    
O         -2.392035990        -2.087444891         1.533749753    
H         -2.399157506        -2.655538272         2.304162712    
H         -1.717730234        -2.458566467        0.9396483371    
O         -1.372146485        0.4420758491         1.393351264    
H         -1.804730677         1.135422404         1.890388652    
H         -1.852890330       -0.3825052129         1.593079335    
O          1.267247356       -0.7340891383         1.022863342    
H         0.5470358284       -0.1809806953         1.351166658    
H          1.644752393       -0.2211808985        0.2915570424    
O        -0.9669085890        0.1884289925E-01    -1.475433880    
H        -0.9018499847       -0.9357496859        -1.352969913    
H         -1.247100427        0.3323977030       -0.6060284200    
    18
Energy=    -45.6575053823509    
O          1.747723664        0.5200320611        -1.423415035    
H          2.041763179         1.361712818        -1.768935186    
H         0.7906373325        0.4725756136        -1.599380932    
O        -0.2833265088        -2.552195904       -0.1938804804    
H         0.3985522929        -1.990593929        0.2424100907    
H         0.1699828229        -3.326677172       -0.5256436981    
O         -2.388811115        -2.085991495         1.533233317    
H         -2.392201282        -2.652122110         2.305083972    
H         -1.715461436        -2.457482826        0.9382771331    
O         -1.371851448        0.4453248865         1.391088577    
H         -1.804314870         1.137651972         1.889669236    
H         -1.852223171       -0.3797340248         1.589834711    
O          1.265163388       -0.7363349086         1.025188860    
H         0.5444870370       -0.1825667932         1.351520510    
H          1.643419265       -0.2245521660        0.2934270337    
O        -0.9693377152        0.1869190914E-01    -1.475882226    
H        -0.9040338267       -0.9358437093        -1.352857700    
H         -1.248937553        0.3333796026       -0.6066700055    
