ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 1 1

Polarizable Continuum Model (PCM)

Model: PCM (using non-symmetric T matrix)
Atomic radii UFF
Solvent Dichloromethane
Eps= 8.930000
Eps(inf)= 2.028346

JOB |

Energies

Energy Value Units
SCF Done: -1074.32315675 Eh

Energy Value Units
HF -1074.3231568 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
5.2759 -8.0362 -1.4969 9.7291

Quadrupole moment

XX YY ZZ XY XZ YZ
-101.0283 -112.5281 -68.7418 -11.7174 2.5736 -15.4508

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