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 TetraHydroFuran
Eps= 7.425700
Eps(inf)= 1.974025

JOB |

Energies

Energy Value Units
SCF Done: -1919.37141068 Eh

Energy Value Units
HF -1919.3714107 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-11.8915 18.9205 -0.4999 22.3527

Quadrupole moment

XX YY ZZ XY XZ YZ
-256.1581 -261.9167 -188.7598 44.4950 6.1472 -27.6015

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