10
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La5003/step2_1_La5003.log	Energy:  -84787.9168714
N          0.74594       -1.99574        2.29056
C         -0.52031       -1.25579        2.38604
C         -1.76240       -2.13376        2.36817
H         -0.49661       -0.66599        3.30666
H         -0.55722       -0.54369        1.55696
H         -1.81288       -2.71183        1.43937
H         -1.74814       -2.83814        3.20666
H         -2.67286       -1.53087        2.44484
H          0.72254       -2.55239        1.43810
H          0.77187       -2.67539        3.04878