16
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La38-/step2_1_La38-.log	Energy: -467082.7286064
C         -0.24487        0.98052        0.01473
C          0.96641        0.27680       -0.01657
C          0.99384       -1.12051       -0.06646
C         -0.18995       -1.85991       -0.08584
C         -1.40052       -1.15945       -0.05522
C         -1.43922        0.22807       -0.00494
H          1.91227        0.81039       -0.00304
H         -0.18648       -2.94163       -0.12476
H         -2.33120       -1.71894       -0.07095
H         -2.39473        0.74274        0.01788
S         -0.27583        2.75296        0.07622
O          2.24639       -1.68403       -0.09438
C          2.33134       -3.10432       -0.14339
H          1.85360       -3.49360       -1.04781
H          3.39443       -3.34011       -0.16174
H          1.87156       -3.55476        0.74194