ATOM INFO

Atomic coordinates [Å] (optimized)

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: -5546.14258597 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
14.2639 -2.2652 -21.1778 25.6338

Quadrupole moment

XX YY ZZ XY XZ YZ
-898.3718 -902.2997 -802.3279 -15.3731 72.7645 -44.3384

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