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: -1140.18629423 Eh

Energy Value Units
HF -1140.1862942 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.1885 -4.5632 -3.5470 5.7827

Quadrupole moment

XX YY ZZ XY XZ YZ
-132.4653 -102.1902 -82.7230 2.5036 -8.6351 -17.8745

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