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: -2024.78176079 Eh

Energy Value Units
HF -2024.7817608 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-5.9569 -1.4124 -8.3801 10.3781

Quadrupole moment

XX YY ZZ XY XZ YZ
-222.8560 -223.8348 -231.2294 -59.8355 8.1170 -19.4893

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