21
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La5039/step2_1_La5039.log	Energy: -193488.7022019
N          2.77130        2.65642       -0.51221
C          1.56452        3.45087       -0.77866
C          0.30074        2.63635       -1.02722
C         -0.92021        3.51281       -1.29359
C         -2.19157        2.70524       -1.54092
C         -3.40496        3.58658       -1.78907
N         -4.60890        2.77598       -2.02528
H          2.91530        2.02397       -1.29714
H          2.58352        2.05126        0.28484
H          1.76343        4.08906       -1.64617
H          1.40455        4.12029        0.07313
H          0.11153        1.99527       -0.15486
H          0.46873        1.96719       -1.88273
H         -0.72221        4.15622       -2.16184
H         -1.07812        4.18366       -0.43777
H         -2.38887        2.05558       -0.67801
H         -2.04304        2.04564       -2.40751
H         -3.19056        4.26468       -2.62728
H         -3.58493        4.21348       -0.90971
H         -4.47644        2.25376       -2.88917
H         -5.39399        3.39727       -2.20348