Download GaussSum 3.0.2

June 12, 2021| Chemist
Download GaussSum 3.0.2

GaussSum free download software for examines and analyzes data output from ADF, GAMESS (US), GAMESS-UK, Gaussian, Jaguar and PC GAMESS software and provides complete information. This software was written by Noel O’Boyle and is available for free under the GNU General Public License.

Key features of GaussSum software:

  • extract molecular orbital information, including contributions of groups of atoms to the molecular orbitals
  • plot the density of states spectrum (and the partial density of states, in the case of groups of atoms)
  • display all lines containing a certain phrase
  • follow the progress of the SCF convergence
  • follow the progress of a geometry optimisation
  • plot the crystal orbital overlap population (COOP) spectrum, which gives information on the bonding/anti-bonding nature of an overlap between atoms/groups
  • extract information on the UV-Vis transitions, including the change in the charge density of groups of atoms
  • plot the UV-Vis spectrum and the circular dichroism spectrum

Download GaussSum


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Categories: Chemistry Software

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