15
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La42-/step2_1_La42-.log	Energy: -396124.8418370
C          1.78324        1.02605        2.56981
H          2.33278        1.36831        1.68585
H          2.35736        1.30604        3.46214
C          0.40963        1.66455        2.61504
H         -0.15549        1.36621        1.72137
H          0.54687        2.75012        2.55830
C         -0.38575        1.31037        3.86837
H         -0.51406        0.22099        3.91727
H          0.18799        1.60368        4.75840
C         -1.77216        1.95210        3.92281
H         -2.32492        1.67260        3.01789
H         -2.32174        1.52869        4.76926
S         -1.77350        3.79182        4.08571
O          1.63697       -0.39907        2.52042
H          2.51708       -0.79559        2.49334