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: -1671.20275099 Eh

Energy Value Units
HF -1671.202751 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-2.4237 -3.6412 3.0741 5.3463

Quadrupole moment

XX YY ZZ XY XZ YZ
-146.9279 -122.6302 -186.0951 14.4801 9.3785 0.3100

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