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: -311.941767154 Eh

Energy Value Units
HF -311.9417672 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.1469 0.1447 -0.1672 0.2654

Quadrupole moment

XX YY ZZ XY XZ YZ
-52.8122 -47.5434 -49.7777 0.1529 0.5285 1.9617

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