5
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La23-/step2_1_La23-.log	Energy: -274958.9381008
S          0.04798        0.09661        0.88011
H          1.09750       -2.12477        0.83342
H         -0.43536       -2.16420        1.71187
H         -0.43029       -2.12475       -0.05495
C          0.07216       -1.74562        0.83881