GENERAL INFO

Title: /noDisp/complexes sin-fenilznch3
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/15621
Program: Gaussian 09 EM64L-G09RevD.01
Author: Besora, Maria
Formula: C 7 H 8 Zn 1
Calculation type: Single point Structure
Method(s): RB3LYP

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Full point group
Full point group CS NOp 2

JOB |

Energies

Energy Value Units
SCF Done: -498.703913339 Eh

Energy Value Units
HF -498.7039133 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.0010 -0.1191 0.0000 0.1191

Quadrupole moment

XX YY ZZ XY XZ YZ
-52.3003 -57.0678 -59.8883 -0.0048 0.0000 0.0000

Report data Creative Commons License
This HTML file Creative Commons License