8
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La11-/step2_1_La11-.log	Energy: -486410.0359720
S         -0.95612        2.72376       -1.13843
C         -0.96884        0.92965       -0.78135
C         -1.01981        0.07956       -2.01894
F          0.03457        0.26636       -2.84330
F         -2.12464        0.29071       -2.76873
F         -1.02443       -1.24545       -1.72239
H         -1.83852        0.64678       -0.18194
H         -0.07151        0.62364       -0.23776