1. Ab Initio Programs
 

    ACES II
    CCSD and MBPT (including gradients)

    CADPAC. Cambridge Analytical Derivatives Package
    Distributed polarisabilities; Time-dependent DFT

    COLUMBUS
    Multireference CI gradients, also parallel

    DALTON
    magnetic and (frequency-dependent) electric properties

    GAMESS-UK (CFS ltd)
    Relativity(ZORA),VB,MRDCI,Direct-Reaction-Field (maintained in Utrecht and Daresbury, so local support)

         The GAMESS-UK 6.0 User Manual and Reference Guide

    GAMESS(US)
    Spin-Orbit Coupling

    GAUSSIAN
    The market-leader

            The Gaussian Manual
           Gaussiant98

    MOLCAS
    CASSCF/CASPT2

    MOLPRO
    Contracted MR-CI/MP2, (open shell) CCSD

    NWCHEM
    scalable, high performance massively parallel

    PSI
    SCF/GUGA-CI/CCSD(T)

    ATMOL
    development system (e.g. VB, MRCEPA)

    TURTLE
    VB/VBSCF program

      Cerius2

    Hyperchem

    Compuchem

    SORE
    (second-order r12-energy)

    IGLO. Individually Gauged Localised Orbitals.
    NMR chemical shifts

2. Geared to SCF/DFT/MP2
 

    Jaguar
    SCF,DFT,MP2

    SPARTAN
    Molecular Mechanics, semiempirical,SCF,DFT,MP2+graphical user interface

    Titan
    Molecular Mechanics,semiempirical,SCF,DFT,MP2+graphical user interface

    TURBOMOLE
    (semi)direct SCF/MP2/DFT on workstations for sgi/ibm distributed by msi

    Q-chem
    Large system linear scaling

    Parallel Quantum Solutions
    Complete (parallel) computers with software (from Peter Pulay contains parts of TEXAS)

3. Just Density Functional
 

    ADF. Amsterdam Density Functional.
    DFT using slater-orbitals

    Unichem/Dgauss
    molecular density functional distributed by Oxford Molecular

    DMOL
    The Cerius Density functional program (clusters)

    DeFT
    a free Gaussian Density Functional Program

4. Semi-empirical Programs
 

    ZINDO
    Intermediate Neglect of Differential Overlap at least up to first row transition metals and Lanthanides distributed by Biosym/MSI

    MNDO94
    semiempirical program distributed by Oxford Molecular (UNICHEM)

    VAMP
    semi-empirical package from Oxford Molecular

    AMSOL
    semi-empirical (potentially free) including solvation models

    MOPAC2000
    Another Mopac Note that PC-programs like Chem3d also offfer (part of) this functionality

5. Crystals and Periodic Slabs
 

    CRYSTAL
    HF/DFT on crystals slabs and polymers

    ADF-SLAB
    DFT for slabs using slater-orbitals

    DMOL
    The Cerius Density functional program (slabs)

6. Relativistic Programs
 

    Dirac
    4-component relativistic direct-gradient-scf,mp2 + CI/CCSD

    MOLFDIR
    4-component relativistic scf + mp2/CI/CCSD

    BERTHA
    Relativistic Electronic Structure Calculations for Atoms, Diatomic and Polyatomic Molecules and Atomic Clusters

    GRASP
    A General Purpose Relativistic Atomic Structure Program

    DARC
    A Relativistic R-matrix Code for electron scattering, polarization and photo-ionization studies

7. Others
 

    Mathematica

    Molden

    Lyx
 
    Euskal Linux
    Available in Basque and in Spanish

    Linux Documentation Proyect

    Proyecto LuCAS
    La mayor biblioteca en español dedicada a GNU/LiNUX de todo el planeta.