12
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La5035/step2_1_La5035.log	Energy: -119515.0365968
N          0.74846        0.51637       -0.64912
C         -0.05017        1.52278        0.05997
C         -1.47998        1.69413       -0.43840
N         -2.33697        0.50975       -0.30912
H          0.71953        0.72450       -1.64576
H          0.30136       -0.39237       -0.54793
H          0.46440        2.48569       -0.01690
H         -0.07014        1.25307        1.12148
H         -1.46087        1.98582       -1.49412
H         -1.94553        2.51656        0.11356
H         -2.30511        0.19308        0.65851
H         -1.93742       -0.24946       -0.85689