11
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La5018/step2_1_La5018.log	Energy: -108674.3401293
C         -0.95798        0.51428        2.14108
C          0.18453       -0.13765        1.92243
C          1.54973        0.44486        2.14878
N          2.37607       -0.32094        3.09542
H         -1.92375        0.04912        1.96762
H         -0.95961        1.54191        2.49862
H          0.16182       -1.16897        1.56760
H          1.45540        1.47070        2.51591
H          2.09098        0.48982        1.19870
H          2.48397       -1.26645        2.73367
H          1.85200       -0.42340        3.96210