ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Polarizable Continuum Model (PCM)

Model: PCM
Atomic radii SMD-Coulomb.
Solvent Generic
Eps= 16.700000
Eps(inf)= 1.625625

JOB |

Energies

Energy Value Units
SCF Done: -1871.33316984 Eh

Energy Value Units
HF -1871.3331698 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-5.8948 -9.4912 -5.5919 12.4941

Quadrupole moment

XX YY ZZ XY XZ YZ
-190.3323 -263.0635 -201.0186 4.0707 22.1493 -12.0596

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