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: -8860.50385030 Eh

Energy Value Units
HF -8860.5038503 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
4.7580 4.7743 -2.1237 7.0670

Quadrupole moment

XX YY ZZ XY XZ YZ
-649.5340 -644.1471 -654.1421 3.8365 2.5771 -1.4527

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