GENERAL INFO

Title: 3a_
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/195246
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
-3.3833 -2.4510 2.2722 4.7557

Quadrupole moment

XX YY ZZ XY XZ YZ
-143.8200 -187.0928 -202.8010 9.6059 -18.2295 15.5384

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-3.3833 -2.4510 2.2722 4.7557

Quadrupole moment

XX YY ZZ XY XZ YZ
-143.8200 -187.0928 -202.8010 9.6059 -18.2296 15.5384

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