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: -1777.13809036 Eh

Energy Value Units
HF -1777.1380904 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-7.2877 -18.0524 -0.1686 19.4687

Quadrupole moment

XX YY ZZ XY XZ YZ
-174.0085 -235.1537 -225.4521 30.4503 -25.7352 16.8501

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