8 ../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La24-/step2_1_La24-.log Energy: -299618.1749129 S -0.01207 0.17920 0.98186 H -0.59315 -2.02041 1.84268 H -0.56890 -2.01275 0.08621 C -0.02991 -1.66605 0.97359 C 1.36237 -2.28309 0.99019 H 1.30621 -3.37817 0.98454 H 1.93921 -1.96783 0.11481 H 1.91467 -1.97577 1.88406