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: -1726.95782770 Eh

Energy Value Units
HF -1726.9578277 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-7.9420 -3.2963 -9.8382 13.0664

Quadrupole moment

XX YY ZZ XY XZ YZ
-153.6848 -199.8718 -187.5468 2.4759 12.2662 21.1125

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