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: -1778.01485207 Eh

Energy Value Units
HF -1778.0148521 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-8.3094 -4.7271 -12.5880 15.8067

Quadrupole moment

XX YY ZZ XY XZ YZ
-176.6864 -223.5447 -236.5453 20.8526 -4.9451 22.2413

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