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: -1152.29337951 Eh

Energy Value Units
HF -1152.2933795 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
8.5747 -2.3575 7.6744 11.7465

Quadrupole moment

XX YY ZZ XY XZ YZ
-155.0412 -123.9372 -114.6818 22.3628 -20.5239 20.4149

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