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: -684.837300414 Eh

Energy Value Units
HF -684.8373004 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-2.7695 0.0286 -0.0012 2.7696

Quadrupole moment

XX YY ZZ XY XZ YZ
-88.4728 -83.6690 -93.9966 -2.5107 0.0022 -0.0220

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