13
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La27-/step2_1_La27-.log	Energy: -621320.7544541
C          0.55016       -1.36477        3.17021
C         -0.83992       -0.73404        3.07119
H         -1.44734       -1.15414        3.87871
H         -1.27982       -1.06592        2.12656
S          0.35060       -3.23110        3.08614
H          0.07324       -3.29652        1.77531
S         -0.88561        1.10400        3.16536
O          1.05784       -1.10079        4.46233
H          1.99968       -1.32420        4.48322
C          1.51606       -0.91102        2.08927
H          1.09596       -1.09977        1.09781
H          1.69674        0.16178        2.19332
H          2.46786       -1.44219        2.17446