Spartan'18/'18 Parallel Suite Release Notes

Known Issues

  1. Empirical corrections for proton and 19F NMR chemical shifts have yet to be implemented for B3LYP, ωB97X-D, or ωB97X-V functionals, empirical chemical shift corrections to the EDF2 functional from Spartan'16 and earlier versions remain available.

  2. (Windows only) ChemDraw 17 is not currently compatible with Spartan's ChemDraw builder. PerkinElmer is aware of this issue and will address this directly in a subsequent minor point release. ChemDraw versions 10-16 function normally. CDX files generated with ChemDraw 17 may be opened with Spartan'18 using the File menu or by drag & drop. A work-around has been established to call ChemDraw 17 from Spartan'18 that involves editing the Windows Registry. Contact for instructions.  

  3. Additional calculations for entries to the SSPD (Spartan Spectra and Properties Database) subset are underway that include the previously omitted IR frequencies from the ωB97X-D/6-31G* model. This should ultimately result in removal of the EDF2/6-31G* model (at least from the subset bundled with all versions of Spartan).

  4. The G4(MP2) model available from the Thermochemical Recipes drop down menu is not yet implemented. G3(MP2) and G4 models are available.

Version 1.4.1

Version 1.4.0

Version 1.3.1

Version 1.3.0

Version 1.2.0

Version 1.1.0

Version 1.0.1

Version 1.0.0