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: -600.391054236 Eh

Energy Value Units
HF -600.3910542 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.0944 0.1805 -0.3748 0.4266

Quadrupole moment

XX YY ZZ XY XZ YZ
-78.3779 -47.9780 -70.1940 0.1938 -0.2406 -16.0097

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