8
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La3025-/step2_1_La3025-.log	Energy: -201293.0909072
O         -0.07274        1.87576       -0.00548
O         -0.13524       -0.36747        0.00424
C          2.00196        0.64687        0.00112
C          0.46300        0.73997       -0.00027
H          2.32601        0.08594       -0.87862
H          2.32460        0.09397        0.88641
C          2.65657        1.94804       -0.00418
N          3.17434        2.98485       -0.00841