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: -1754.71501894 Eh

Energy Value Units
HF -1754.7150189 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-7.8091 7.0672 -1.4047 10.6255

Quadrupole moment

XX YY ZZ XY XZ YZ
-165.6999 -261.3444 -166.7066 16.4431 11.3786 52.4667

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