ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity:

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-9.6912 -6.1096 -0.9765 11.4978

Quadrupole moment

XX YY ZZ XY XZ YZ
-78.0555 -123.4550 -141.8479 -16.6262 0.7287 8.5294

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
1.5491 -9.2236 4.6689 10.4534

Quadrupole moment

XX YY ZZ XY XZ YZ
-138.6373 -125.7107 -137.3069 -17.5942 -2.5170 -2.1403

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