GENERAL INFO

Title: ZnCl2b
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/114501
Program: Gaussian 16 AM64L-G16RevA.03
Author: Li, Yingzi
Formula: Cl2Zn
Calculation type: Single point Structure
Method(s): RM06

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Full point group
Full point group D*H NOp 8

JOB |

Energies

Energy Value Units
SCF Done: -2699.87011242 Eh

Energy Value Units
HF -2699.8701124 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.0000 -0.0000 -0.0000 0.0000

Quadrupole moment

XX YY ZZ XY XZ YZ
-38.0653 -38.0653 -49.6032 -0.0000 0.0000 0.0000

Report data Creative Commons License
This HTML file Creative Commons License