15
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La17-/step2_1_La17-.log	Energy: -396118.3529605
S         -0.98729        2.36499       -0.34311
C         -0.91205        0.52673       -0.34543
H         -1.40226        0.13115        0.54985
H         -1.44756        0.13148       -1.21448
C          0.51766        0.02469       -0.38193
H          1.02810        0.38721       -1.28593
H          1.07383        0.39043        0.49325
O          0.51029       -1.40001       -0.37921
C          1.82300       -1.94949       -0.40696
H          2.38359       -1.59291        0.46816
H          2.34425       -1.59720       -1.30778
C          1.71891       -3.45840       -0.40093
H          1.16653       -3.81150       -1.27625
H          2.71775       -3.90149       -0.42233
H          1.20664       -3.80701        0.50020