ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 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: -2496.35317509 Eh

Energy Value Units
HF -2496.3531751 Eh

Dipole moment (Debye)

Dipole moment

X Y Z Total
-1.5351 -6.7491 -1.4598 7.0738

Quadrupole moment

XX YY ZZ XY XZ YZ
-340.1753 -335.5851 -354.1434 26.5590 9.1106 -35.2832

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