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../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La31-/step2_1_La31-.log	Energy: -621317.1196928
S         -2.51102        0.86728       -0.04599
C         -1.18820       -1.58323       -0.53369
C         -0.05407       -1.37067        0.46044
H         -0.25594       -1.92790        1.38484
H         -0.00598       -0.30800        0.70497
O          1.22663       -1.71430       -0.05973
H          1.23706       -2.66076       -0.25904
H         -0.90439       -1.14868       -1.49663
H         -3.30790       -1.33281       -0.69640
H         -2.71181       -1.35516        0.96002
C         -2.50393       -0.97591       -0.04732
S         -1.36574       -3.40590       -0.79034
H         -2.10062       -3.33621       -1.90884