Besides memory, does Gaussian 03 and/or 09 have other limitations, such as the Active space?

Running Gaussian 03/09, I have had some consistency with CAS(4,4), (6,6) (8,8) but the CAS(10,10) energy deviates from the trend (big increase in energy). I have checked the contributing MOs to...

07 July 2014 2,461 1 View