16
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La9-/step2_1_La9-.log	Energy: -467081.5417802
S         -0.52448        2.29605        0.23278
C          0.60666       -0.25112        0.20851
C         -0.56112        0.51995        0.12132
C         -1.76900       -0.18194       -0.06198
C         -1.80333       -1.56778       -0.15351
C         -0.62218       -2.31001       -0.06401
C          0.59014       -1.64662        0.11884
H          1.56186        0.24677        0.34947
H         -2.70037        0.37240       -0.13449
H         -2.74508       -2.08966       -0.29422
O         -0.75221       -3.67656       -0.16412
H          1.52353       -2.19218        0.19182
C          0.43569       -4.45243       -0.06838
H          0.12474       -5.49191       -0.16451
H          0.92337       -4.30527        0.90048
H          1.13321       -4.20410       -0.87460