12
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La4-/step2_1_La4-.log	Energy: -683627.3309046
S          1.74619        1.69059       -0.03882
C          1.58705       -2.91870        0.14801
C          2.78614       -2.22205        0.24980
C          2.85701       -0.83591        0.19777
C          1.68254       -0.07639        0.03472
C          0.46514       -0.77758       -0.06980
H         -0.53265       -2.67764       -0.09536
H         -0.45645       -0.21787       -0.19639
C          0.42195       -2.16755       -0.01327
H          3.81886       -0.34093        0.28057
H          1.56339       -4.00096        0.19324
Cl         4.27891       -3.13217        0.44819