GENERAL INFO

Title: S0_5a
Browse item: https://iochem.udg.edu:8443/browse/handle/100/1727
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
-4.8706 6.7281 2.4498 8.6598

Quadrupole moment

XX YY ZZ XY XZ YZ
-420.9849 -337.6934 -106.3039 308.3945 56.4241 -6.3916

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