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: -1528.55617071 Eh

Energy Value Units
HF -1528.5561707 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-13.7567 -10.6175 1.0020 17.4064

Quadrupole moment

XX YY ZZ XY XZ YZ
-140.7843 -180.2605 -200.0180 -8.1675 4.3818 31.3598

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