ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

JOB |

Energies


Spin

Mulliken atomic spin densities

S^2

S**2 before annihilation = 0.0000

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
6.3702 -2.4824 0.3706 6.8468

Quadrupole moment

XX YY ZZ XY XZ YZ
-265.3488 -250.9863 -264.1703 -13.9224 16.5950 -1.6424

JOB |

Energies


Spin

Mulliken atomic spin densities

S^2

S**2 before annihilation = 0.0000

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
6.3701 -2.4824 0.3706 6.8468

Quadrupole moment

XX YY ZZ XY XZ YZ
-265.3488 -250.9862 -264.1703 -13.9224 16.5950 -1.6424

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