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Spartan Spectra and Properties Database
   
  The Spartan Spectra and Properties Database (SSPD) is a collection of infrared and proton and 13C NMR spectra, together with a variety of atomic and molecular properties, QSAR descriptors  and thermodynamic properties for ~250,000 molecules with molecular weights up to 500 amu. SSPD entries have been obtained using equilibrium geometries from the EDF2/6-31G* density functional model based on the lowest-energy conformation assigned from the T1 thermochemical recipe. The wavefunction is included in each entry, allowing on-the-fly calculation of a variety of graphical surfaces and property maps. SSPD is accessed from Spartan'14 by substructure, name or formula or by best match to and unknown (experimental) infrared spectrum. In addition, results are instantly available for a molecule that has been built or imported for which a database entry exists.
   
  Extensions and Updates

SSPD may be supplemented with user data obtained from Spartan'10 or Spartan'14.

SSPD will be updated at least once a year. The most recent update is version 3.0 (November 2014), which increased the number of entries from ~172,000 to > 250,000. Next update is planned for late 2014 and will include more than 300,000 entries.