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: -1865.57759369 Eh

Energy Value Units
HF -1865.5775937 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-8.4946 -2.7067 -12.1612 15.0791

Quadrupole moment

XX YY ZZ XY XZ YZ
-154.6860 -221.0679 -212.1794 -5.9977 11.6199 12.9085

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