GENERAL INFO

Title: S0_TS_PT
Browse item: https://iochem.udg.edu:8443/browse/handle/100/1728
Program: Gaussian 16 ES64L-G16RevA.03
Author: Borowski, Tomasz
Formula:
Calculation type: Single point Structure
Method(s): RwB97XD

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity:

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-4.5006 7.2264 2.4685 8.8640

Quadrupole moment

XX YY ZZ XY XZ YZ
-392.6355 -358.4185 -106.4218 317.9604 58.0756 -5.0718

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