GENERAL INFO

Title: /noDisp/complexes sin-sznch3
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/15281
Program: Gaussian 09 EM64L-G09RevD.01
Author: Besora, Maria
Formula: C 1 H 3 S 1 Zn 1
Calculation type: Single point Structure
Method(s): RB3LYP

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: -1 1

Full point group
Full point group CS NOp 2

JOB |

Energies

Energy Value Units
SCF Done: -665.335562674 Eh

Energy Value Units
HF -665.3355627 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0008 6.0584 0.0000 6.0584

Quadrupole moment

XX YY ZZ XY XZ YZ
-41.6463 -62.3074 -41.6466 -0.0024 0.0000 0.0000

Report data Creative Commons License
This HTML file Creative Commons License