18
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La5038/step2_1_La5038.log	Energy: -168830.5996294
N          1.99344       -1.98416        4.24525
C          0.76057       -1.21396        4.03538
C         -0.47890       -2.05170        3.74471
C         -1.72243       -1.19461        3.52451
C         -2.96038       -2.02523        3.22740
N         -4.13628       -1.16599        3.02526
H          2.15238       -2.56063        3.42111
H          1.83194       -2.64385        5.00378
H          0.93265       -0.51903        3.20675
H          0.58583       -0.60259        4.92689
H         -0.64725       -2.74313        4.58186
H         -0.29299       -2.66853        2.85443
H         -1.54817       -0.49886        2.69325
H         -1.90707       -0.58193        4.41817
H         -3.11035       -2.74889        4.04096
H         -2.80034       -2.60289        2.31139
H         -4.33541       -0.68741        3.90159
H         -4.94701       -1.75383        2.84837