14
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La40-/step2_1_La40-.log	Energy: -523534.7098755
S         -0.23412        2.95300        0.37761
C          0.97751        0.47320        0.26355
C         -0.23226        1.21056        0.27058
C         -1.44072        0.47611        0.18682
C         -1.44770       -0.90306        0.10236
C         -0.22960       -1.58964        0.09929
C          0.98752       -0.90587        0.17769
H          1.91986        1.00707        0.32503
H         -2.38428        1.01131        0.19066
H         -2.38120       -1.44870        0.04153
H          1.92226       -1.45269        0.17213
N         -0.22810       -3.02129        0.01886
O         -1.30280       -3.61975       -0.03537
O          0.84819       -3.61949        0.00854