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: -1780.39613582 Eh

Energy Value Units
HF -1780.3961358 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-11.2196 1.4449 -7.5251 13.5865

Quadrupole moment

XX YY ZZ XY XZ YZ
-172.7209 -204.7926 -190.8406 -1.8416 9.4575 52.2884

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