9
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La22-/step2_1_La22-.log	Energy: -323505.9594591
S         -0.45748        2.52873       -0.20559
C          1.50827       -0.54314        0.86369
H          2.52753       -0.91054        0.79013
H          0.97598       -0.73631        1.79273
C         -0.45733        0.67954       -0.10284
C          0.93006        0.12223       -0.13954
H         -0.95737        0.35918        0.81620
H         -1.03164        0.28474       -0.94712
H          1.49281        0.30802       -1.05491