7 ../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La3023-/step2_1_La3023-.log Energy: -205677.6108659 O -0.25201 1.76282 -0.00189 O -0.02187 -0.47345 0.00097 C 1.94742 0.80349 0.00205 C 0.42699 0.70637 0.00017 H 2.35089 0.32174 -0.89056 H 2.34843 0.32457 0.89729 F 2.37450 2.13571 0.00056