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: -961.811661046 Eh

Energy Value Units
HF -961.811661 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-5.2283 0.0072 0.2774 5.2356

Quadrupole moment

XX YY ZZ XY XZ YZ
-62.2344 -61.2726 -61.2788 -0.0053 0.0232 0.0018

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