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: -8350.51530436 Eh

Energy Value Units
HF -8350.5153044 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.0274 1.5938 0.4567 1.6582

Quadrupole moment

XX YY ZZ XY XZ YZ
-410.3277 -411.7922 -423.8648 -8.0334 2.3748 0.6868

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