ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Polarizable Continuum Model (PCM)

Model: PCM
Atomic radii SMD-Coulomb.
Solvent Benzene
Eps= 2.270600
Eps(inf)= 2.253301

JOB |

Energies

Energy Value Units
SCF Done: -5089.54950950 Eh

Energy Value Units
HF -5089.5495095 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
7.9190 -1.0376 0.5562 8.0061

Quadrupole moment

XX YY ZZ XY XZ YZ
-316.3634 -301.8311 -299.6205 10.5364 -11.9623 9.2585

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