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: -1809.99957665 Eh

Energy Value Units
HF -1809.9995767 Eh

Dipole moment (Debye)

Dipole moment

X Y Z Total
-11.5492 -46.0345 -13.6773 49.3926

Quadrupole moment

XX YY ZZ XY XZ YZ
-329.3422 -749.7830 -325.0911 -104.4345 -37.3475 -127.4580

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