ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: -1 2

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: -321.800235651 Eh

Energy Value Units
HF -321.8002357 Eh

Spin

S^2

S**2 before annihilation = 0.7535

Dipole moment (Debye)

Dipole moment

X Y Z Total
-1.2748 9.6879 -4.8891 10.9263

Quadrupole moment

XX YY ZZ XY XZ YZ
-85.3408 -126.1031 -89.2598 21.1006 -6.7521 19.4404

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