GENERAL INFO

Title: /C60ACET/SPE C60
Browse item: https://iochem.udg.edu:8443/browse/handle/100/933
Program: Gaussian 09 AM64L-G09RevD.01
Author: Artigas, Albert
Formula: C 60
Calculation type: Single point Structure
Method(s): RM06L - Grimme-D3

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Full point group
Full point group CI NOp 2

JOB |

Energies

Energy Value Units
SCF Done: -2286.59996455 Eh

Energy Value Units
HF -2286.5999646 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
-329.3895 -329.3820 -329.3986 0.0071 0.0012 0.0013

Report data Creative Commons License
This HTML file Creative Commons License