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: -1567.75046940 Eh

Energy Value Units
HF -1567.7504694 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-7.3647 -1.1511 -6.4026 9.8263

Quadrupole moment

XX YY ZZ XY XZ YZ
-143.1143 -188.7317 -178.7520 -2.3412 16.9217 30.8120

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