42
E = -922.263945747
H          1.24653       -2.41219        1.34135
C          1.17873       -1.80901        0.41350
H          1.18610       -0.73885        0.68896
O          0.00000       -2.12998       -0.31037
C          2.36311       -2.12735       -0.48781
C         -1.17872       -1.80901        0.41350
H          2.32923       -1.48718       -1.38443
H          2.29832       -3.17995       -0.80979
O          3.59837       -1.96470        0.21430
H         -1.18610       -0.73885        0.68897
H         -1.24653       -2.41219        1.34135
C         -2.36311       -2.12735       -0.48781
C          4.37643       -0.83937       -0.15693
H         -2.32923       -1.48718       -1.38443
H         -2.29832       -3.17995       -0.80980
O         -3.59836       -1.96470        0.21430
H          5.39703       -1.05376        0.19859
H          4.41351       -0.73302       -1.25827
C          3.94248        0.48260        0.45261
C         -4.37643       -0.83937       -0.15693
H          3.74685        0.34806        1.53512
H          4.77422        1.21170        0.34651
O          2.78273        0.97560       -0.20684
H         -5.39703       -1.05376        0.19859
H         -4.41351       -0.73302       -1.25827
C         -3.94248        0.48260        0.45261
C          2.40365        2.25189        0.28431
H         -4.77422        1.21170        0.34651
H         -3.74685        0.34806        1.53512
O         -2.78273        0.97560       -0.20684
H          2.20157        2.21064        1.37305
H          3.22980        2.97496        0.12246
C          1.17204        2.75238       -0.43419
C         -2.40366        2.25189        0.28431
H          1.11942        3.85440       -0.31382
H          1.26072        2.53601       -1.51710
O         -0.00000        2.15876        0.10756
H         -2.20157        2.21064        1.37305
H         -3.22980        2.97496        0.12246
C         -1.17205        2.75238       -0.43419
H         -1.26072        2.53601       -1.51710
H         -1.11942        3.85440       -0.31382
