16
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La5006/step2_1_La5006.log	Energy: -134104.1540419
C         -1.15172       -0.11928        3.91567
C          0.12761        0.70670        3.82667
C          1.37616       -0.16040        3.68824
C          2.65842        0.65763        3.60387
N          3.89054       -0.13392        3.48571
H         -2.03618        0.51689        4.01458
H         -1.12256       -0.79056        4.78058
H         -1.28023       -0.73624        3.01996
H          0.22324        1.33508        4.72121
H          0.06684        1.39034        2.97048
H          1.29164       -0.78724        2.78951
H          1.44414       -0.84410        4.54603
H          2.74564        1.28942        4.49406
H          2.60504        1.33280        2.74344
H          3.80694       -0.72982        2.66432
H          3.93070       -0.77581        4.27534