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: -1988.05217582 Eh

Energy Value Units
HF -1988.0521758 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-7.3709 -1.5494 -10.4878 12.9122

Quadrupole moment

XX YY ZZ XY XZ YZ
-145.9137 -199.0551 -199.5295 -1.0649 15.7604 31.7880

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