Useful links for Computational Quantum Chemistry

Packages

3D plot of a sample of potential energy surface
MOLPRO
PQS
GAMESS-US
PCGAMESS
GAUSSIAN
SPARTAN
Turbomol
MOPAC
PCMODEL
AIMALL
AIM2000
MORPHY

Graphical Interfaces

animated JPEG file of a C-H stretching vibration in Ovalene molecule
ChemCraft
GaussView
HyperChem
Chemoffice
Rasmol
MacMolplt
Ghemical

Basis Sets Libraries

Symbolic icon designed for Basis sets library
EMSL
Stuttgart
WSU

SeyedAbdolreza Sadjadi