24
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La5042/step2_1_La5042.log	Energy: -218136.2835057
C         -3.53490       -2.12927        0.45145
C         -2.62417       -1.36375       -0.49649
N         -2.47250        0.06172       -0.15444
C         -3.66918        0.80142       -0.59149
C         -3.81715        2.16658        0.06246
C         -1.28562        0.60134       -0.83274
C          0.02501        0.29465       -0.11666
N          1.20645        0.79989       -0.82464
H         -3.59732       -3.17537        0.13806
H         -4.55199       -1.72852        0.46831
H         -3.14046       -2.10367        1.47177
H         -2.99077       -1.45897       -1.53397
H         -1.63443       -1.82645       -0.47247
H         -4.54805        0.20257       -0.34128
H         -3.66024        0.90576       -1.69102
H         -3.90825        2.06685        1.14830
H         -4.71999        2.65891       -0.31006
H         -2.97046        2.82529       -0.14964
H         -1.38175        1.68916       -0.89699
H         -1.23386        0.22478       -1.87119
H          0.14983       -0.78256        0.02259
H          0.00132        0.74446        0.88028
H          1.08772        1.79957       -0.97840
H          1.22529        0.38597       -1.75460