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: -511.358547410 Eh

Energy Value Units
HF -511.3615474 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.4323 4.7799 -2.2651 5.3071

Quadrupole moment

XX YY ZZ XY XZ YZ
-64.5615 -43.5811 -56.2033 -4.6905 1.9353 -4.8385

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