16
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La5022/step2_1_La5022.log	Energy: -134099.7827381
C         -1.10728        0.65763       -0.00313
C          0.13335        0.90495       -0.84246
N          1.35952        0.72857       -0.05807
C          2.55297        0.84399       -0.90229
C          3.82027        0.54488       -0.12141
H         -2.00950        0.78646       -0.60698
H         -1.15767        1.35334        0.83986
H         -1.11112       -0.36273        0.39458
H          0.12531        1.92995       -1.22904
H          0.12495        0.23661       -1.71851
H          1.34451       -0.22328        0.30883
H          2.58895        1.86550       -1.29639
H          2.48813        0.17137       -1.77262
H          3.94143        1.24149        0.71362
H          4.69775        0.63038       -0.76795
H          3.79753       -0.47272        0.28262