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: -3259.39780920 Eh

Energy Value Units
HF -3259.3978092 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
1.6750 1.6866 -1.2444 2.6831

Quadrupole moment

XX YY ZZ XY XZ YZ
-226.8079 -220.4647 -223.9725 3.6687 -4.5798 1.4229

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