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: -9675.09904640 Eh

Energy Value Units
HF -9675.0990464 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.7787 0.3894 -0.6982 1.1161

Quadrupole moment

XX YY ZZ XY XZ YZ
-545.6921 -540.7479 -531.5288 -2.4658 0.7638 0.7686

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