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: -1783.76597845 Eh

Energy Value Units
HF -1783.7659784 Eh

Dipole moment (Debye)

Dipole moment

X Y Z Total
4.0345 -0.2385 -0.5799 4.0830

Quadrupole moment

XX YY ZZ XY XZ YZ
-146.5116 -106.4609 -123.4534 3.2208 0.8104 -2.4320

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