GENERAL INFO

Title: 1a_sp_basisset
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23095
Program: Gaussian 09
Author: García, Cristina
Formula: C 18.0 H 20.0
Calculation type: Single point Structure
Method(s): RB3LYP

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

JOB |

Energies


Energy Value Units
HF -698.1478887 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.5748 0.5281 -0.3905 0.8727

Quadrupole moment

XX YY ZZ XY XZ YZ
-105.7918 -98.8326 -108.6807 -1.3449 -1.1772 4.3705

Report data Creative Commons License
This HTML file Creative Commons License