ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Full point group

Full point group C1 NOp 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: -3073.96454498 Eh

Energy Value Units
HF -3073.964545 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-13.7864 -3.4854 0.2156 14.2218

Quadrupole moment

XX YY ZZ XY XZ YZ
-342.4963 -387.2779 -449.1668 -10.2477 -31.2306 -3.1782

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