12
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La2-/step2_1_La2-.log	Energy: -509796.9707801
S          1.37393        1.97772       -0.35670
N          0.16575       -1.89540       -0.27599
C          0.18827       -0.51972       -0.36760
C          1.32220        0.21651       -0.23560
C          2.55330       -0.53285        0.02012
N          2.42289       -1.90981        0.10221
H         -0.77595       -0.06544       -0.55516
C          1.27128       -2.64246       -0.03594
O          3.67682       -0.03457        0.16791
O          1.25807       -3.87929        0.05286
H          3.26945       -2.44011        0.28243
H         -0.71219       -2.38885       -0.37707