24
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La5044/step2_1_La5044.log	Energy: -218137.6232541
C          0.97681        0.17110        5.23915
C         -0.18238        1.07623        4.86227
N          2.15318        0.95093        5.62773
N         -1.35875        0.29641        4.47369
C          3.24620        0.07675        6.06587
C         -2.45178        1.17059        4.03555
C          4.42722        0.87906        6.58130
C         -3.63280        0.36828        3.52012
H          5.22927        0.21194        6.90816
H         -4.43485        1.03540        3.19326
H          0.65953       -0.51101        6.04393
H          0.13490        1.75834        4.05748
H          1.24956       -0.45232        4.37887
H         -0.45513        1.69966        5.72255
H          1.88554        1.51800        6.43238
H         -1.09112       -0.27066        3.66903
H          3.55383       -0.53258        5.20922
H         -2.75941        1.77991        4.89219
H          2.90484       -0.62178        6.84632
H         -2.11041        1.86912        3.25510
H          4.82522        1.53681        5.80279
H         -4.03079       -0.28948        4.29863
H          4.13456        1.49791        7.43592
H         -3.34013       -0.25057        2.66549