          49
****> Energy        -1067.197045 
 X   1.12208933423960       0.624645240833056        1.95091331531966     
 O   4.47010413058162       -1.02764424436039        1.58150385780747     
 H   4.55115894788923      -0.220222882240201        1.07383004573958     
 H   5.35217272840947       -1.19062985947764        1.91560341911700     
 O   3.35543139766631      -0.195470174323086       -2.18673131986100     
 H   3.71588311141460      -0.365541216238729       -3.05700842609441     
 H   2.49274360501223       0.183933340337236       -2.35422634768387     
 O  -1.94971185749877        1.89819728551967       0.114182019225304     
 H  -1.99058874686345        1.22874019652382      -0.568744129626402     
 H  -2.83370564270430        2.26404929744140       0.144827279334574     
 O   2.09641442200369        2.18043097495135        1.25989861801174     
 H   1.60772686507282        2.69652821086151       0.618759043766646     
 H   2.92923123495681        1.98844827320068       0.828864237518183     
 O  -1.63567464406256       -1.82865832938746        2.54739889116276     
 H  -2.33696601871270       -2.16463999745246        3.10555528989157     
 H -0.861402394070793       -2.32717163586107        2.80858618993087     
 O   2.11718071246062      -0.722797060483469        2.95937122005443     
 H   2.99384026931823      -0.887153009019937        2.61197089992325     
 H   1.72808038642897       -1.59261107736076        3.05023568616853     
 O   4.34531423405404        1.20259861470989      -3.337691080044557E-002
 H   5.07827715397434        1.75036389046594      -0.314358048199682     
 H   4.05826291264973       0.758152481070461      -0.831061693185909     
 O   3.20828976590867       -2.42590703020509      -0.464771796654257     
 H   3.21777433872756       -1.73587599243754       -1.12809603763465     
 H   3.70441246355366       -2.06115788691202       0.268066637261958     
 O   1.02525556815510       -3.85088373562677       0.255107469843907     
 H   1.79613707431567       -3.36158525207055      -3.222602337527275E-002
 H   1.14228337809249       -4.72426262990917      -0.118718208246374     
 O  0.369856764215015        3.18143916589210      -0.662221911428072     
 H -0.488564850501977        2.87954867996686      -0.365226448885564     
 H  0.238263280571366        4.10479470002842      -0.877464917165086     
 O -0.783710793612284       0.807061367665432        2.39388937730504     
 H  -1.21935298692161      -2.812665876108178E-002   2.56391490126769     
 H  -1.30451083357410        1.21264639668235        1.70070834648447     
 O  -1.78154661179407      -4.957655261469696E-002  -1.84784027509525     
 H  -1.64416753624603      -0.858094317705814       -1.35422316436064     
 H  -2.39893554312452      -0.291757546183164       -2.53806568226393     
 O  0.833958913319699       0.923185229399119       -2.19633810144464     
 H -6.001517026728026E-002  0.608891580538302       -2.33147388144728     
 H  0.727117890578100        1.80958169213987       -1.85120313425563     
 O  0.764010366798770       -3.13128108392301        2.89576383350854     
 H  0.910539634535485       -3.46860948108429        2.01203844344582     
 H   1.00951724128635       -3.85466952450369        3.47253707967200     
 O  -1.10477462246639       -2.12589357913797      -0.153658105174944     
 H -0.486264747396129       -2.85639695558335      -0.147162697657336     
 H  -1.46627272440232       -2.10962862236584       0.732505769260403     
 O  0.857304062376902      -0.306240647745944       0.213095459775791     
 H  0.201814917964902      -0.992745576028014       8.949609133565029E-002
 H  0.926993299077307       0.115988504851854      -0.643115841166335     
