GENERAL INFO

Title: P5
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/195237
Program: Gaussian 16 ES64L-G16RevA.03
Author: Kojasoy, Volga
Formula:
Calculation type: Single point Structure
Method(s): RB3LYP

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity:

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
8.5193 -0.1918 -1.7313 8.6956

Quadrupole moment

XX YY ZZ XY XZ YZ
-96.6226 -79.9090 -86.4266 1.9901 5.6925 1.9870

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
8.5193 -0.1919 -1.7313 8.6956

Quadrupole moment

XX YY ZZ XY XZ YZ
-96.6226 -79.9090 -86.4266 1.9901 5.6925 1.9870

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