15
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La21-/step2_1_La21-.log	Energy: -396128.9866601
S          1.64261        0.55852        0.06204
C          0.90754       -1.64797       -1.46832
H         -0.12347       -1.28047       -1.46203
H          1.42248       -1.20589       -2.32774
H          0.87747       -2.73526       -1.60725
C          0.88784       -1.94732        1.01316
H          0.86200       -3.03661        0.88993
H          1.38659       -1.72090        1.96145
H         -0.14489       -1.59027        1.07660
C          3.06618       -1.75082       -0.20301
H          3.58525       -1.26687       -1.03947
H          3.57032       -1.47271        0.73051
C          1.61187       -1.28099       -0.15947
O          3.11570       -3.17549       -0.36838
H          4.04394       -3.43923       -0.39846