15 ../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La7-/step2_1_La7-.log Energy: -419901.7838172 S 1.37346 2.88994 -0.13525 C 2.57679 0.36456 -0.23635 C 1.37532 1.11708 -0.23826 C 0.15748 0.41554 -0.32603 C 0.11091 -0.97357 -0.41139 C 1.29523 -1.70981 -0.40848 C 2.51036 -1.03109 -0.32127 H -0.76983 0.98175 -0.32782 H -0.84947 -1.47605 -0.47831 H 1.27556 -2.79302 -0.47279 H 3.43935 -1.59622 -0.31842 C 3.91908 1.03803 -0.14962 H 4.06957 1.73207 -0.98362 H 4.00991 1.62799 0.76879 H 4.72447 0.29984 -0.16660