ATOM INFO

Atomic coordinates [Å] (optimized)

MOLECULAR INFO

Charge / Multiplicity: -9 10

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: -7087.26843352 Eh

Spin

Mulliken atomic spin densities

S^2

S**2 before annihilation = 24.7687

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-1.6611 -1.0172 0.0015 1.9478

Quadrupole moment

XX YY ZZ XY XZ YZ
-1349.8318 -1965.9805 -1415.9345 -36.0453 0.0035 0.0027

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