14
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La1-/step2_1_La1-.log	Energy: -523531.7699510
S          2.52948        2.89857        0.02813
C          2.43290       -1.72081        0.02968
C          3.62435       -1.00517       -0.02982
C          3.68636        0.38360       -0.03339
C          2.49917        1.13211        0.02727
C          1.28802        0.41261        0.08922
C          1.25622       -0.97984        0.08974
H          2.42837       -2.80238        0.02892
H          4.64663        0.88214       -0.07927
H          0.35421        0.96435        0.13662
H          0.30252       -1.49417        0.13640
N          4.87958       -1.75603       -0.08504
O          5.93564       -1.13897       -0.11845
O          4.83084       -2.97887       -0.09405