ab initio programs
Pseudo and BasisSets
Pseudo and Basis Sets Molpro
Pseudo and Basis Sets Stuttgart
List of Quantum Chemistry packages
ADF
CRYSTAL
DALTON
DIRAC
GAMESS
MOLCAS
MOLPRO
GAUSSIAN
Technical notes
UV-visible plot
iops
Error messages
MPQC
NWChem
ORCA
PSI3
PWscf
Q-CHEM
SIESTA
Quantum Espresso
Turbomole
VASP (examples, gettingstarted, Forum)
OpenMopac (PM6)
ReaxFF
LAMMPS MD
Natural Bond Orbital NBO 5.0 NBO 6.
molGW
Chemistry software
Quantum Chemistry Software
Computational Chemistry Resources
Matter Modeling Stack Exchange
Index of molecular visualization resources
Functional repository
ESL The Electronic Structure Library
Others
GABEDIT (Graphical User Interface for computational chemistry packages)
Multiwfn
TheoDORE
3D Chemistry
Chemistry tools
Chemistry structures
Xmakemol
Molden
moltemplate
Grace
SciDAVis
texmaker
LibreOffice
Lyx
DevC++
Putty
winscp
framasoft