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: -2884.53567085 Eh

Energy Value Units
HF -2884.5356709 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-1.3268 2.3067 -0.4051 2.6917

Quadrupole moment

XX YY ZZ XY XZ YZ
-63.0303 -71.6727 -71.8487 3.3025 -1.8562 3.9475

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