ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: -4 1

Polarizable Continuum Model (PCM)

Model: PCM (using non-symmetric T matrix)
Atomic radii UFF
Solvent Acetonitrile
Eps= 35.688000
Eps(inf)= 1.806874

JOB |

Energies

Energy Value Units
SCF Done: -5751.15534709 Eh

Energy Value Units
HF -5751.1553471 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
55.1352 -13.3127 0.1236 56.7198

Quadrupole moment

XX YY ZZ XY XZ YZ
-1215.8263 -923.7189 -945.3720 -39.5255 59.1468 52.9343

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