GENERAL INFO

Title: T2-T1_MECP2_B
Browse item: https://iochem.udg.edu:8443/browse/handle/100/1755
Program: Gaussian 16 ES64L-G16RevA.03
Author: Borowski, Tomasz
Formula:
Calculation type: Single point Structure
Method(s): RwB97XD TD-FC

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity:

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
2.1170 -7.9820 -0.1262 8.2589

Quadrupole moment

XX YY ZZ XY XZ YZ
-106.1253 -118.9804 -134.0800 11.6564 1.4711 -2.5423

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