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
Atomic radii SMD-Coulomb.
Solvent Generic
Eps= 7.790000
Eps(inf)= 1.408500

JOB |

Energies

Energy Value Units
SCF Done: -1769.73339295 Eh

Energy Value Units
HF -1769.733393 Eh

Spin

S^2

S**2 before annihilation = 0.0000

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.6521 -2.1195 6.3770 6.7516

Quadrupole moment

XX YY ZZ XY XZ YZ
-232.7677 -214.4668 -224.7630 17.8734 10.0045 0.2090

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