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: -1139.55116599 Eh

Energy Value Units
HF -1139.551166 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-1.0459 -0.5406 -2.7726 3.0122

Quadrupole moment

XX YY ZZ XY XZ YZ
-124.1261 -116.3563 -104.1189 -0.7715 -2.2996 -6.7211

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