14
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La3021-/step2_1_La3021-.log	Energy: -552083.6782269
O         -0.12945        2.20086        0.15343
O         -1.87064        0.81297        0.36193
C          0.31060       -0.13983        0.25792
C         -0.63328        1.04660        0.25790
C         -0.18866       -1.44006        0.37014
C          1.69022        0.05087        0.14675
C          2.56329       -1.03346        0.14739
C          0.66755       -2.53747        0.37302
C          2.03598       -2.31531        0.26171
H          2.08821        1.05551        0.05833
H         -1.25782       -1.59868        0.45610
H          0.27952       -3.54576        0.46005
Cl         3.12383       -3.68918        0.26208
H          3.63367       -0.88528        0.06143