32
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La5027/step2_1_La5027.log	Energy: -281302.4159320
C         -1.69743        0.26822        0.50380
C         -2.98288       -0.43778        0.06445
C         -4.06008        0.56593       -0.34730
C         -3.54017        1.50464       -1.43676
C         -2.25670        2.20495       -0.98845
C         -1.17671        1.20150       -0.58932
N          0.03372        1.92019       -0.16384
C          1.21479        1.05436       -0.06858
C          2.49598        1.86478        0.05622
C          3.73674        0.98272        0.16818
C          5.02011        1.79799        0.28880
H         -0.93822       -0.47601        0.76673
H         -1.89572        0.86545        1.40574
H         -3.34773       -1.08123        0.87215
H         -2.75887       -1.09365       -0.78827
H         -4.35227        1.16040        0.52951
H         -4.95764        0.04102       -0.69227
H         -4.30028        2.24871       -1.69756
H         -3.33677        0.92305       -2.34640
H         -2.47648        2.84691       -0.12357
H         -1.87587        2.85421       -1.78661
H         -0.94878        0.57976       -1.47602
H          0.23172        2.60533       -0.89312
H          1.28851        0.39026       -0.94690
H          1.11420        0.40807        0.80986
H          2.43163        2.51557        0.93799
H          2.59782        2.52301       -0.81805
H          3.79636        0.32926       -0.71103
H          3.63416        0.32503        1.04036
H          5.15472        2.44399       -0.58533
H          5.90023        1.15328        0.36814
H          4.99272        2.43979        1.17580