17
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La5026/step2_1_La5026.log	Energy: -158010.0467041
C          1.87871        0.89782       -1.77126
C          0.65482        1.79963       -1.67296
C         -0.25692        1.34504       -0.53208
C          0.53429        1.23202        0.77197
C          1.76214        0.35170        0.57728
N          2.61102        0.88956       -0.49632
H          2.55112        1.24597       -2.55955
H          1.54846       -0.11955       -2.04188
H          0.11613        1.78927       -2.62620
H          0.98365        2.83124       -1.49322
H         -0.67608        0.36066       -0.78092
H         -1.09996        2.03369       -0.41376
H         -0.09057        0.81579        1.56896
H          0.85665        2.23015        1.09523
H          1.43005       -0.67335        0.34010
H          2.35076        0.30205        1.49697
H          3.40771        0.26670       -0.60186