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: -1701.80043409 Eh

Energy Value Units
HF -1701.8004341 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
2.8965 8.4080 -2.7481 9.3079

Quadrupole moment

XX YY ZZ XY XZ YZ
-213.0329 -115.3052 -227.8695 32.8597 38.5802 30.7542

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