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: -1607.08126907 Eh

Energy Value Units
HF -1607.0812691 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-7.3808 -1.2102 -6.3910 9.8380

Quadrupole moment

XX YY ZZ XY XZ YZ
-149.5453 -195.3923 -185.6759 -2.4551 16.3646 31.4341

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