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: -1469.52162642 Eh

Energy Value Units
HF -1469.5216264 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
13.5286 -8.9084 -3.4961 16.5713

Quadrupole moment

XX YY ZZ XY XZ YZ
-383.4613 -136.4807 -191.7081 67.5750 56.6226 9.6799

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