23
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La5029/step2_1_La5029.log	Energy: -254376.4718469
C         -2.52897        1.41142       -1.95614
C         -1.77181        0.23870       -1.90537
C         -0.54871        0.22657       -1.23838
C         -0.06146        1.38153       -0.61459
C         -0.82581        2.54943       -0.67302
C         -2.05375        2.56674       -1.33762
C          1.28770        1.35417        0.07064
N          2.43665        1.20659       -0.83572
C          2.51204        2.29106       -1.82122
C          3.68457        2.09069       -2.76476
H         -3.48296        1.42222       -2.47339
H         -2.13855       -0.66540       -2.38130
H          0.03830       -0.68853       -1.19739
H         -0.45440        3.45331       -0.19636
H         -2.63618        3.48211       -1.37367
H          1.31612        0.51979        0.77734
H          1.42505        2.27554        0.64535
H          2.30472        0.33716       -1.35287
H          2.62525        3.23276       -1.27208
H          1.58485        2.37526       -2.40689
H          4.63217        2.06548       -2.21840
H          3.73105        2.90340       -3.49460
H          3.58205        1.14949       -3.31555