ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity:

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
8.5946 10.3871 -5.0523 14.3974

Quadrupole moment

XX YY ZZ XY XZ YZ
-716.1711 -735.0877 -784.8967 65.9409 2.3258 -0.4580

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
8.3419 10.3447 -4.6078 14.0653

Quadrupole moment

XX YY ZZ XY XZ YZ
-716.4524 -729.5664 -787.9407 65.4530 5.9246 -0.7370

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