9 ../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La20-/step2_1_La20-.log Energy: -346809.5380963 S -0.32074 2.69249 0.09447 H 1.66495 0.66123 -0.77270 H 1.62671 0.64341 1.00558 C -0.30490 0.85315 0.07668 H -0.84893 0.46521 0.94406 H -0.81168 0.48258 -0.82035 O 1.03906 -1.12756 0.08547 H 1.93988 -1.47587 0.09490 C 1.10743 0.30486 0.10133