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: -1850.99515630 Eh

Energy Value Units
HF -1850.9951563 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
18.3298 -14.2632 27.3369 35.8710

Quadrupole moment

XX YY ZZ XY XZ YZ
-297.2177 -261.0683 -334.6357 51.1383 -107.2627 74.4716

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