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: -1988.04754406 Eh

Energy Value Units
HF -1988.0475441 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-8.1647 -2.2313 -9.8332 12.9743

Quadrupole moment

XX YY ZZ XY XZ YZ
-146.3658 -209.0754 -193.8686 1.1503 8.7161 19.9073

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