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: -2869.03384722 Eh

Energy Value Units
HF -2869.0338472 Eh

Dipole moment (Debye)

Dipole moment

X Y Z Total
16.0514 -13.9114 -16.1314 26.6721

Quadrupole moment

XX YY ZZ XY XZ YZ
-661.6415 -618.5149 -647.2950 56.0173 75.7554 -53.7727

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