ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity:

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
10.5507 14.9304 -1.9405 18.3848

Quadrupole moment

XX YY ZZ XY XZ YZ
-685.7016 -710.5198 -753.3792 55.4610 -5.9936 -2.7017

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
8.6915 12.9273 -2.4197 15.7643

Quadrupole moment

XX YY ZZ XY XZ YZ
-683.0689 -711.4709 -752.5326 55.6101 -7.5648 -4.8662

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