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: -5538.37626926 Eh

Energy Value Units
HF -5538.3762693 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.6094 0.2798 -1.2877 1.4519

Quadrupole moment

XX YY ZZ XY XZ YZ
-287.8348 -298.9680 -298.8371 1.7510 1.1978 -1.9801

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