16
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La3005-/step2_1_La3005-.log	Energy: -217397.5748445
O          0.28129        1.03594        0.61536
O         -0.67713       -0.44436       -0.75103
C          1.62466       -0.82648       -0.16942
C          0.31724       -0.01061       -0.09435
C          2.02979       -0.97455       -1.64147
C          1.35244       -2.21313        0.42998
C          2.75444       -0.14904        0.60373
H          2.50847       -0.04591        1.66510
H          2.96862        0.84759        0.20519
H          0.57012       -2.73762       -0.12616
H          1.03815       -2.13427        1.47643
H          2.26378       -2.82015        0.39308
H          2.20065        0.00412       -2.10311
H          1.25901       -1.49571       -2.21624
H          2.95814       -1.55161       -1.71452
H          3.66696       -0.74973        0.52433