20
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La5020/step2_1_La5020.log	Energy: -229724.0295379
C          1.89550       -0.87918       -0.88870
C          1.21040       -2.09247       -0.79762
C          1.87034       -3.28018       -1.11108
C          3.20706       -3.25345       -1.51295
C          3.90451       -2.04401       -1.60984
C          3.23076       -0.85845       -1.28873
C          5.36351       -2.01499       -1.98558
C          6.27682       -1.97437       -0.75405
N          6.18823       -3.14624        0.12305
H          1.38910        0.05072       -0.64925
H          0.17060       -2.11029       -0.48731
H          1.34596       -4.22831       -1.04428
H          3.71582       -4.18149       -1.76141
H          3.76006        0.08878       -1.35915
H          5.57255       -1.13256       -2.60077
H          5.61389       -2.90160       -2.57971
H          6.04183       -1.08471       -0.16149
H          7.31372       -1.87496       -1.08647
H          6.37948       -3.97606       -0.43636
H          5.22041       -3.25015        0.42451