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: -5089.53704890 Eh

Energy Value Units
HF -5089.5370489 Eh

Spin

S^2

S**2 before annihilation = -0.0000

Dipole moment (Debye)

Dipole moment

X Y Z Total
2.1631 1.7793 -2.6644 3.8658

Quadrupole moment

XX YY ZZ XY XZ YZ
-310.4617 -297.3036 -302.2269 3.4042 6.2505 -4.5623

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