          46
****> Energy        -1015.163961  
 X  -2.02565753111366        1.76623925021612        1.60610213848245     
 O  -1.95685751371939       0.840271727524092      -0.132217746665402     
 H  -1.10737351733378       0.622778669521356      -0.516021796255420     
 H  -2.56093513414323       0.199712498700957      -0.507725325482300     
 O -0.459637655108409       -4.25527215023776       0.669651156421807     
 H  0.433120940658807       -4.14164302610974       0.343610743727314     
 H -0.538233691646347       -5.19543701247646       0.831343870322473     
 O -0.777097904719746       0.728260246822766        2.72961771193401     
 H  0.158742882448226       0.891180577581167        2.84747705935605     
 H -0.856297392577827      -0.225656316437379        2.72804598125797     
 O  -3.82172246452587       -1.37617473898074        1.81895062258008     
 H  -4.47701268115324       -2.01962483401256        2.08876267952407     
 H  -3.86748417236377       -1.37347803679261       0.862848937209000     
 O  -3.81258734331564        1.33721433967699        2.31567020136238     
 H  -3.96170618637648       0.394857716389811        2.23847302481218     
 H  -4.54128022215834        1.65249312269962        2.85030822486619     
 O   1.38547299923996        2.69863566564296       0.417901638375005     
 H   2.11831825850649        3.25787532269526       0.160179557778587     
 H   1.70404909051408        2.22430545677856        1.18585473974482     
 O  0.623573058351313       0.330156842745561      -0.868849407943274     
 H  0.950817845118223        1.20175248913788      -0.646445006907282     
 H  0.901087250183744      -0.223776734168584      -0.139208876876749     
 O  -1.10876470127850        3.48510596102434        1.30560986624053     
 H  -1.24794296116573        4.43164084780652        1.27506548941995     
 H -0.227270371538478        3.36067902454193       0.953874848094577     
 O   1.97215376752725        1.04517957530706        2.54276947445480     
 H   2.61653918470670       0.991331253628769        3.24853121275976     
 H   1.98050204354331       0.175361979649318        2.14329545095879     
 O   1.38431689935798       -1.26931833529651        1.19030406167820     
 H   1.74123650008232       -2.04190539447615       0.752183674703026     
 H  0.540323925148511       -1.55854502215034        1.53708298545092     
 O  0.878871432428479       -1.93036673411888       -2.43200859727488     
 H  0.827611290772615       -1.04967802165360       -2.06053635269930     
 H   1.03991262619488       -1.78837283542314       -3.36481903113581     
 O  -3.64763591844539       -1.19466774668271      -0.899933409668728     
 H  -2.95593639890444       -1.80931431763156       -1.14486851610306     
 H  -4.26494727770620       -1.22435090617690       -1.63087624918927     
 O   1.95582125287510       -3.45627510193792      -0.401213373757752     
 H   1.68549732904524       -3.01196550366883       -1.20479647211631     
 H   2.76676694917084       -3.90672520018329      -0.637208343039927     
 O  -1.12639911177286       -1.97777107098588        2.10622965794012     
 H -0.986405268294006       -2.85592017242642        1.75198720099357     
 H  -2.07221689635393       -1.84305507968335        2.04696618745542     
 O  -1.56118329885208       -2.80447013035988       -1.42164580907960     
 H -0.764256119972153       -2.55482728830688       -1.88942498973061     
 H  -1.26083646987245       -3.40477426188704      -0.739254007495158     
