13
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La5004/step2_1_La5004.log	Energy: -109446.1142028
N          1.92170       -0.12333        0.00000
C         -0.56890       -0.52756       -0.00069
C          0.57954        0.47318       -0.00037
C         -1.92952        0.16136       -0.00108
H         -0.47529       -1.17469       -0.88206
H         -0.47579       -1.17468        0.88074
H          0.49528        1.12173        0.87807
H          0.49577        1.12173       -0.87886
H         -2.04502        0.79680        0.88328
H         -2.04455        0.79676       -0.88553
H         -2.74709       -0.56488       -0.00128
H          1.99622       -0.73771       -0.80845
H          1.99573       -0.73779        0.80845