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: -5751.19262679 Eh

Energy Value Units
HF -5751.1926268 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
13.4609 -37.5207 2.3221 39.9298

Quadrupole moment

XX YY ZZ XY XZ YZ
-1014.4936 -960.8591 -1005.7155 -21.3482 74.3757 35.4558

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