ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: -1 1

Polarizable Continuum Model (PCM)

Model: PCM (using non-symmetric T matrix)
Atomic radii UFF
Solvent 1-Hexanol
Eps= 12.510000
Eps(inf)= 2.010157

JOB |

Energies

Energy Value Units
SCF Done: -2979.57991846 Eh

Energy Value Units
HF -2979.5799185 Eh

Dipole moment (Debye)

Dipole moment

X Y Z Total
25.7776 -7.4952 -18.4102 32.5515

Quadrupole moment

XX YY ZZ XY XZ YZ
-614.8546 -488.9658 -577.3319 36.1990 112.4078 -30.0704

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