11
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La14-/step2_1_La14-.log	Energy: -417913.3723301
S         -0.66616        1.80895       -0.04712
C         -0.55343        0.03816        0.47024
H          0.40205       -0.15893        0.95751
H         -1.36674       -0.21389        1.15262
O         -1.89324       -1.11553       -1.09805
C         -2.06094       -1.86407       -2.31048
H         -1.56369       -2.83171       -2.22857
H         -3.13384       -1.99924       -2.42635
H         -1.65533       -1.30466       -3.15516
C         -0.63550       -0.82493       -0.74715
O          0.32785       -1.20990       -1.39701