21
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La5041/step2_1_La5041.log	Energy: -193484.1730657
C         -2.71600       -1.81793       -2.54353
C         -1.49812       -2.66464       -2.18871
C         -0.30999       -1.80217       -1.79357
N          0.87059       -2.60504       -1.46048
C          2.03544       -1.75532       -1.20708
C          3.28626       -2.58345       -0.95333
N          4.49709       -1.78579       -0.73459
H         -3.56776       -2.44352       -2.82391
H         -2.49832       -1.15092       -3.38422
H         -3.02062       -1.19705       -1.69450
H         -1.21934       -3.29041       -3.04606
H         -1.74294       -3.34367       -1.36366
H         -0.57066       -1.19987       -0.91490
H         -0.09022       -1.09291       -2.60964
H          1.08781       -3.16988       -2.28162
H          1.82746       -1.13307       -0.32790
H          2.22600       -1.06787       -2.04910
H          3.46186       -3.24611       -1.80754
H          3.13034       -3.22294       -0.07968
H          4.32918       -1.15268        0.04462
H          4.63862       -1.18512       -1.54423