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: -2474.91759832 Eh

Energy Value Units
HF -2474.9175983 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-5.4328 -16.9038 8.4821 19.6774

Quadrupole moment

XX YY ZZ XY XZ YZ
-359.3280 -315.6602 -393.6814 -3.7748 15.8537 10.9140

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