12 ../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La6-/step2_1_La6-.log Energy: -395241.5343717 S -0.85601 2.41766 0.20383 C 0.32969 -0.09797 0.16440 C -0.86720 0.64402 0.15526 C -2.07333 -0.08109 0.10426 C -2.08180 -1.47435 0.06357 C -0.88507 -2.19283 0.07321 C 0.32067 -1.49126 0.12348 H 1.27835 0.43006 0.20282 H -3.01524 0.46017 0.09633 H -3.03151 -1.99985 0.02515 H -0.89197 -3.27744 0.04227 H 1.26369 -2.02998 0.13124