ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Polarizable Continuum Model (PCM)

Model: PCM
Atomic radii SMD-Coulomb.
Solvent n,n-DiMethylAcetamide
Eps= 37.781000
Eps(inf)= 2.067844

JOB |

Energies

Energy Value Units
SCF Done: -925.790008189 Eh

Energy Value Units
HF -925.7900082 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.0012 0.0045 0.0059 0.0075

Quadrupole moment

XX YY ZZ XY XZ YZ
-122.0810 -127.3367 -138.7584 5.5219 -2.9629 -0.4396

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