   45
E(RHF/6-31G(d,p))= -1140.600975
 O     3.137488    -0.347536     2.292667
 O     3.038664    -2.335175     0.246515
 O     2.696728    -1.092996    -2.184721
 O    -0.200128    -1.194065    -2.054228
 O    -0.084887     1.615440    -1.764008
 O    -0.071715     2.189747     1.012694
 O     0.209864    -0.253684     2.408264
 O     0.087430    -2.359672     0.514699
 O    -2.949066     2.187599     1.229913
 O    -3.004212     1.677862    -1.496680
 O    -3.089377    -1.205342    -2.049564
 O    -2.868341    -2.438036     0.395009
 O    -2.748415    -0.497735     2.495105
 O     2.827237     2.235331     0.858571
 O     2.810912     1.818792    -1.887850
 H     3.180351    -1.044537     1.641002
 H     3.846529    -0.487210     2.898972
 H     2.961949    -1.892731    -0.605115
 H     3.642733    -3.049645     0.124058
 H     2.838301    -0.152631    -2.177760
 H     1.793289    -1.220342    -2.448613
 H     3.432760     2.386109    -2.313608
 H     2.882480     1.982551    -0.944439
 H     1.941612     2.484508     1.094219
 H     3.020355     1.452478     1.360395
 H     1.103015    -0.293404     2.724494
 H     0.134203     0.575279     1.939619
 H     0.981006    -2.677564     0.508326
 H     0.065925    -1.665658     1.170902
 H    -0.156929    -1.601625    -1.191156
 H    -1.093072    -1.315175    -2.356510
 H     0.771963     1.900733    -2.056940
 H    -0.093350     0.665719    -1.866387
 H    -0.114593     2.012010     0.074922
 H    -0.947004     2.461817     1.264385
 H    -1.847381    -0.506380     2.788617
 H    -2.904457     0.378815     2.164792
 H    -1.984310    -2.773231     0.462732
 H    -2.969540    -1.841186     1.133481
 H    -3.095309    -1.638327    -1.189966
 H    -3.768507    -1.610074    -2.564165
 H    -3.145640     0.765922    -1.726932
 H    -2.132283     1.890221    -1.804893
 H    -3.058569     2.007433     0.293115
 H    -3.623004     2.801836     1.471297
