7
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La3013-/step2_1_La3013-.log	Energy: -1756873.6236178
O         -0.31182        1.70515       -0.00166
O         -0.04998       -0.52329        0.00071
C          1.91155        0.73365        0.00215
C          0.38374        0.66346        0.00016
H          2.30129        0.23865       -0.88543
H          2.29878        0.24159        0.89248
Br         2.65440        2.53631        0.00022