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: -10104.8960823 Eh

Energy Value Units
HF -10104.8960823 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.5569 2.6246 -0.2437 2.6940

Quadrupole moment

XX YY ZZ XY XZ YZ
-457.3350 -344.5896 -456.2879 5.5544 -6.8503 18.5299

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