ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity:

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
21.7417 12.8860 -6.5343 26.1045

Quadrupole moment

XX YY ZZ XY XZ YZ
-684.0106 -755.3939 -798.7991 45.2224 6.7914 5.8029

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
20.4924 7.0000 -6.2413 22.5365

Quadrupole moment

XX YY ZZ XY XZ YZ
-685.8738 -771.5479 -789.5986 38.8731 6.7234 4.8088

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