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: -5546.14293476 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
13.9961 -6.1794 -23.8218 28.3118

Quadrupole moment

XX YY ZZ XY XZ YZ
-894.5518 -919.0989 -798.9317 -0.2971 76.3869 -19.6472

JOB |

Energies

Energy Value Units
SCF Done: -5546.14293477 Eh


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