From sender@chemdc1.tau.ac.il  Sun Sep 13 13:27:10 1992
Date: Sun, 13 Sep 92 14:27:10 -0100
From: sender@chemdc1.tau.ac.il (Senderowitz Hanoch)
To: CHEMISTRY@ccl.net
Subject: CASSCF calculations


Hi everybody

I was trying to do some CASSCF calculations on fluoro-hydrocarbons. I
used Gaussian90 and tried to define the active space via the ordinary
orbitals, via natural orbitals (i.e., CAS(UNO,...) and via localized
orbitals (i.e., strting ith GUESS=LOCAL). However, I wasn't able to
obtain convergence though I tried many different active spaces. Does
anyone know if Fluor is especially problematic? Can anyone help?

                                      Thanks
                                      Hanoch Senderowitz