13
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La5030/step2_1_La5030.log	Energy: -109435.5799365
N         -0.00051       -0.00037        0.39512
C         -0.53151       -1.26634       -0.10646
C         -0.83069        1.09331       -0.10561
C          1.36183        0.17277       -0.10529
H         -1.55499       -1.41081        0.24752
H          0.07910       -2.09784        0.25346
H         -0.53968       -1.29548       -1.20943
H         -1.85537        0.98357        0.25729
H         -0.85476        1.11412       -1.20859
H         -0.43971        2.05081        0.24649
H          1.77546        1.11788        0.25440
H          1.39298        0.17943       -1.20821
H          1.99813       -0.64111        0.25041