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../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La13-/step2_1_La13-.log	Energy: -442574.5729469
S         -1.19127        2.65963        0.18976
C         -1.20399        0.85458        0.58633
H         -0.32427        0.58489        1.17205
H         -2.10406        0.59237        1.14459
C         -1.16183        0.07884       -0.69183
O         -0.13478       -0.29263       -1.24628
O         -2.37379       -0.14271       -1.20981
C         -2.42755       -0.79365       -2.49808
H         -1.86502       -0.18807       -3.21338
H         -1.95050       -1.77315       -2.41249
C         -3.88220       -0.90992       -2.88459
H         -3.95925       -1.39709       -3.85950
H         -4.43289       -1.50893       -2.15480
H         -4.34598        0.07734       -2.95401