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: -1676.07735303 Eh

Energy Value Units
HF -1676.077353 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-14.0426 -2.4638 -11.1797 18.1176

Quadrupole moment

XX YY ZZ XY XZ YZ
-174.2120 -189.2123 -201.0115 -8.8223 -11.6920 21.0509

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