42
E = -960.136196794
O         -3.07941       -1.87384       -1.32595
C         -2.14579       -1.39112       -0.73080
O         -0.98158       -1.17358       -1.43250
C         -2.14267       -0.99516        0.72717
C          0.18919       -0.58528       -0.88121
H         -1.53844       -1.76968        1.23286
C         -3.54747       -1.00984        1.32005
C         -1.38155        0.32774        0.94096
H          0.49433        0.14006       -1.65242
O          1.15292       -1.62139       -0.81477
C          0.07970        0.13719        0.49775
H         -4.20270       -0.27199        0.83758
H         -4.01295       -1.99321        1.18417
H         -3.50315       -0.78545        2.39534
H         -1.33428        0.49180        2.02997
C         -2.01484        1.58517        0.28795
C          2.29027       -1.21868       -0.06435
O          0.57012       -0.71661        1.54416
C          0.80482        1.49355        0.47151
H         -2.06681        2.38683        1.04028
H         -3.05652        1.36932        0.00936
C         -1.25240        2.09582       -0.93855
O          1.95711       -1.22643        1.33319
C          3.32986       -2.31395       -0.21028
C          2.83520        0.17681       -0.48442
H          0.57615        1.95306        1.44903
C          0.22320        2.43221       -0.61930
C          2.33435        1.33068        0.39152
H         -1.75284        2.99404       -1.33207
H         -1.31358        1.34682       -1.74163
H          3.75397       -2.28168       -1.22290
H          2.86104       -3.28981       -0.03883
H          4.13690       -2.16210        0.51830
H          3.93126        0.14061       -0.39915
H          2.62240        0.33667       -1.55334
H          0.81277        2.29303       -1.54287
C          0.37926        3.89259       -0.18661
H          2.72272        1.16515        1.40572
H          2.78099        2.27186        0.03388
H          0.08995        4.57798       -0.99624
H          1.41649        4.12512        0.09649
H         -0.25792        4.11007        0.68515
