17
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La3-/step2_1_La3-.log	Energy: -491002.9158070
S          2.39989        1.50536        0.26411
C          2.34423       -3.09711        0.14255
C          3.55389       -2.39397        0.25599
C          3.56963       -1.00666        0.29506
C          2.37920       -0.25260        0.21814
C          1.16841       -0.97271        0.10183
H          0.20649       -2.88193       -0.02149
H          0.23321       -0.42445        0.03982
C          1.15281       -2.35742        0.06662
H          4.51862       -0.48677        0.38441
H          4.49649       -2.92841        0.31601
C          2.29643       -4.57457        0.10329
O          1.21688       -5.17085        0.03490
C          3.58174       -5.35435        0.14440
H          4.13277       -5.12913        1.06141
H          3.36019       -6.42052        0.10395
H          4.21855       -5.07894       -0.70082