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: -2884.13103840 Eh

Energy Value Units
HF -2884.1310384 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-1.2000 2.0865 -0.3687 2.4350

Quadrupole moment

XX YY ZZ XY XZ YZ
-62.6692 -70.1798 -71.4556 2.7238 -1.6072 3.4562

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