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: -2001.03258008 Eh

Energy Value Units
HF -2001.0325801 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-9.6502 -1.7120 -10.0022 14.0036

Quadrupole moment

XX YY ZZ XY XZ YZ
-180.0591 -248.6105 -267.9996 7.8357 -11.3169 58.1004

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