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: -3182.34481400 Eh

Energy Value Units
HF -3182.344814 Eh

Dipole moment (Debye)

Dipole moment

X Y Z Total
25.2529 -17.7743 -18.8312 36.1697

Quadrupole moment

XX YY ZZ XY XZ YZ
-803.7845 -638.0999 -724.4240 80.0741 140.1643 -93.2795

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