18
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La5040/step2_1_La5040.log	Energy: -168826.4049715
C         -5.42797        0.69199       -0.81473
C         -4.27658        1.54210       -0.30914
N         -3.11146        0.72003        0.03579
C         -1.96614        1.55720        0.40046
C         -0.71925        0.74871        0.72166
N         -0.14581       -0.00909       -0.39741
H         -6.28601        1.32131       -1.06555
H         -5.74438       -0.03187       -0.05775
H         -5.13936        0.14125       -1.71610
H         -4.58183        2.08848        0.58977
H         -4.01567        2.29860       -1.06652
H         -2.86131        0.20281       -0.80710
H         -2.24275        2.14060        1.28608
H         -1.72673        2.28008       -0.39876
H         -0.93536        0.04578        1.53187
H          0.04427        1.43861        1.09184
H         -0.04516        0.61507       -1.19566
H         -0.80082       -0.72958       -0.69134