ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: -1 1

Polarizable Continuum Model (PCM)

Model: PCM (using non-symmetric T matrix)
Atomic radii SMD-Coulomb.
Solvent Acetone
Eps= 20.493000
Eps(inf)= 1.846337

JOB |

Energies

Energy Value Units
SCF Done: -2007.89457347 Eh

Energy Value Units
HF -2007.8945735 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
15.4295 -14.1071 24.5452 32.2420

Quadrupole moment

XX YY ZZ XY XZ YZ
-310.4194 -281.6102 -352.2163 46.0677 -75.0643 62.3858

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