12
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La39-/step2_1_La39-.log	Energy: -2008698.8424982
S         -1.17193        2.24012        0.21212
C         -1.13185       -2.33301       -0.07456
C         -2.34608       -1.65546       -0.08510
C         -2.35015       -0.26631        0.00398
C         -1.15630        0.47224        0.10458
C          0.05001       -0.25305        0.11417
H          1.01563       -2.17450        0.03358
H          0.99191        0.28159        0.19021
C          0.07068       -1.64210        0.02524
H         -3.30160        0.25648       -0.00455
H         -3.28158       -2.19925       -0.16032
Br        -1.11522       -4.22620       -0.19692