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: -1935.55041349 Eh

Energy Value Units
HF -1935.5504135 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.3062 5.2954 -4.6943 7.0832

Quadrupole moment

XX YY ZZ XY XZ YZ
-274.5926 -252.1964 -258.8459 16.5537 1.9418 -18.9765

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