GENERAL INFO

Title: A_
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/195243
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
-4.4276 -2.1520 -5.2259 7.1794

Quadrupole moment

XX YY ZZ XY XZ YZ
-161.3033 -175.4856 -200.6820 5.5347 18.6763 11.6417

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-4.4276 -2.1520 -5.2258 7.1794

Quadrupole moment

XX YY ZZ XY XZ YZ
-161.3033 -175.4857 -200.6821 5.5347 18.6763 11.6417

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