ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
1.4200 1.0850 0.0000 1.7870

Quadrupole moment

XX YY ZZ XY XZ YZ
-11.8594 -13.4953 -13.9248 -2.2660 0.0000 0.0000

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-1.4082 1.0308 0.0000 1.7452

Quadrupole moment

XX YY ZZ XY XZ YZ
-11.9184 -13.5651 -13.9779 2.1725 0.0000 0.0000

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