ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Polarizable Continuum Model (PCM)

Model: PCM
Atomic radii SMD-Coulomb.
Solvent n,n-DiMethylFormamide
Eps= 37.219000
Eps(inf)= 2.046330

JOB |

Energies

Energy Value Units
SCF Done: -1904.91081195 Eh

Energy Value Units
HF -1904.910812 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-7.9651 1.1800 -9.6424 12.5623

Quadrupole moment

XX YY ZZ XY XZ YZ
-164.1119 -223.4949 -220.7095 6.1039 7.8408 54.0272

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