13
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La5005/step2_1_La5005.log	Energy: -109448.3370679
N          0.04040        0.63428        0.02981
C         -1.21346       -0.11749        0.21804
C         -1.44969       -1.00368       -0.99501
C         -2.41190        0.79034        0.47340
H         -1.06948       -0.75765        1.09551
H          0.16179        1.26230        0.82221
H         -2.35953       -1.59786       -0.87079
H         -1.56750       -0.38785       -1.89475
H         -0.61035       -1.68670       -1.15525
H         -2.23970        1.43011        1.34517
H         -3.31929        0.20465        0.65339
H         -2.58761        1.43546       -0.39579
H         -0.08464        1.24549       -0.77702