ATOM INFO

Atomic coordinates [Å] (optimized)

MOLECULAR INFO

Charge / Multiplicity: -10 10

Full point group

Full point group C1 NOp 1

Polarizable Continuum Model (PCM)

Model: PCM
Atomic radii UFF
Solvent Water
Eps= 78.355300
Eps(inf)= 1.777849

JOB |

Energies

Energy Value Units
SCF Done: -7291.89649367 Eh

Spin

Mulliken atomic spin densities

S^2

S**2 before annihilation = 24.8878

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-5.4333 -7.5148 0.5948 9.2923

Quadrupole moment

XX YY ZZ XY XZ YZ
-2057.4980 -1449.9036 -1463.1879 21.7690 -0.9630 5.6284

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