4
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La5001/step2_1_La5001.log	Energy:  -35478.0031772
N          0.10585       -0.06050        0.03560
H          0.91225       -0.63321       -0.19586
H         -0.71311       -0.61992       -0.18394
H          0.10732        0.71160       -0.62453