14
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La43-/step2_1_La43-.log	Energy: -442571.4484518
C          0.29227       -1.02023        0.35959
H         -0.38504       -1.24349        1.18940
H         -0.17277       -1.41621       -0.54795
C          1.61700       -1.73156        0.59270
H          2.31291       -1.54158       -0.23214
H          2.10562       -1.36289        1.50131
C          1.47506       -3.22316        0.72585
O          0.42937       -3.84657        0.63316
O          2.64678       -3.82521        0.96258
S          0.49550        0.80231        0.20286
C          2.61647       -5.25379        1.10619
H          2.25492       -5.71739        0.18713
H          3.64471       -5.55071        1.29963
H          1.97709       -5.53479        1.94419