ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Full point group

Full point group C1 NOp 1

Polarizable Continuum Model (PCM)

Model: PCM
Atomic radii SMD-Coulomb.
Solvent CycloHexanone
Eps= 15.619000
Eps(inf)= 2.104530

JOB |

Energies

Energy Value Units
SCF Done: -2715.90728647 Eh

Energy Value Units
HF -2715.9072865 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.5485 6.7666 -0.9911 6.8607

Quadrupole moment

XX YY ZZ XY XZ YZ
-293.2544 -329.2244 -339.5215 9.9805 24.7537 33.6237

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