iSpartan has something like that built into their app rather than calculating things on the fly. I’m not aware of any other database that has the information you’re looking for, Bob. Jennifer
Jennifer Muzyka H.W. Stodghill Jr. and Adele H. Stodghill Professor of Chemistry Centre College 600 West Walnut Street Danville, KY 40422 [email protected]<mailto:[email protected]> http://web.centre.edu/muzyka http://organicers.org 859-238-5413 fax 859-236-7925 On Aug 24, 2016, at 10:34 AM, Robert Hanson <[email protected]<mailto:[email protected]>> wrote: I mean a database of common organic compounds, with molecular orbitals. Spartan files or Gaussian output -- that sort of thing. ------------------------------------------------------------------------------ _______________________________________________ Jmol-users mailing list [email protected]<mailto:[email protected]> https://lists.sourceforge.net/lists/listinfo/jmol-users
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