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: -8028.18412961 Eh

Energy Value Units
HF -8028.1841296 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.2096 0.3631 -0.0148 0.4195

Quadrupole moment

XX YY ZZ XY XZ YZ
-466.1919 -447.1513 -462.3578 -4.6301 8.0657 7.6922

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