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: -5079.92243681 Eh

Energy Value Units
HF -5079.9224368 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
2.0661 1.9696 -1.4360 3.1953

Quadrupole moment

XX YY ZZ XY XZ YZ
-290.4778 -278.0481 -291.9470 -4.6131 -7.2287 5.2848

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