9
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La12-/step2_1_La12-.log	Energy: -323513.1807885
C          0.88908        0.79152       -0.59123
H          0.91349       -0.29503       -0.55065
H          1.84204        1.31236       -0.62056
C         -0.28351        1.45219       -0.60620
C         -1.58615        0.69064       -0.56698
H         -2.17709        0.99032        0.30463
H         -2.18713        0.91786       -1.45364
H         -1.41977       -0.38979       -0.52353
S         -0.41580        3.22317       -0.67406