ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: -3 1

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
3.0583 0.4802 12.1983 12.5850

Quadrupole moment

XX YY ZZ XY XZ YZ
-679.2827 -685.9141 -619.0668 0.9906 18.2363 1.7296

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
2.0074 0.4154 6.6474 6.9563

Quadrupole moment

XX YY ZZ XY XZ YZ
-674.1902 -679.5195 -625.0575 0.6765 15.1547 1.9878

Report data Creative Commons License
This HTML file Creative Commons License