18
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La5043/step2_1_La5043.log	Energy: -168818.3780034
C          3.10120        0.45221        4.97631
N          1.90674        1.23948        4.66815
C          0.81945        0.36971        4.21514
C         -0.40190        1.17595        3.81403
N         -1.48920        0.30617        3.36102
C         -2.68365        1.09345        3.05286
H          3.92854        1.11683        5.23158
H          3.41673       -0.18999        4.14149
H          2.90336       -0.19020        5.83858
H          2.14179        1.85156        3.88882
H          0.55872       -0.30578        5.03908
H          1.13499       -0.26118        3.36887
H         -0.14118        1.85144        2.99010
H         -0.71745        1.80683        4.66031
H         -2.48581        1.73585        2.19059
H         -2.99919        1.73565        3.88768
H         -3.51100        0.42882        2.79759
H         -1.72425       -0.30591        4.14035