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: -5466.37187860 Eh

Energy Value Units
HF -5466.3718786 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
1.4022 0.6074 -0.6631 1.6658

Quadrupole moment

XX YY ZZ XY XZ YZ
-354.5343 -349.4274 -351.6027 0.4628 -0.7953 0.2416

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