GENERAL INFO

Title: Calix5OMe_perylene
Browse item: https://iochem.udg.edu:8443/browse/handle/100/762
Program: Gaussian 16 ES64L-G16RevA.03
Author: Lledó, Agustí
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
-0.0298 8.7383 -3.8928 9.5662

Quadrupole moment

XX YY ZZ XY XZ YZ
-761.5157 -681.0015 -746.1395 4.7824 8.4662 -23.2779

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