ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Polarizable Continuum Model (PCM)

Model: PCM (using non-symmetric T matrix)
Atomic radii SMD-Coulomb.
Solvent n,n-DiMethylFormamide
Eps= 37.219000
Eps(inf)= 2.046330

JOB |

Energies

Energy Value Units
SCF Done: -822.983075294 Eh

Energy Value Units
HF -822.9830753 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.6274 5.7249 -2.7244 6.3711

Quadrupole moment

XX YY ZZ XY XZ YZ
-88.7996 -92.5421 -87.1474 -8.1259 5.2393 6.7029

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