From B130778@vax.csc.cuhk.hk Thu Dec 10 23:17:00 1992 Date: Thu, 10 Dec 1992 15:17 +0800 From: B130778@vax.csc.cuhk.hk Subject: Stability test in Gaussian 90 To: CHEMISTRY@ccl.net Message-Id: <01GS5LNCNUQ88WWR4R@vax.csc.cuhk.hk> Dear fellow Gaussian users, Sorry to waste the bandwidth. I have sent help to GAUSSIAN many many times but didn't get any reply. I would appreciate any input to my problem. I was checking for the stability of the RHF wavefunction for a closed-shell molecule with G90. The following is the output from G90: *********************************************************************** Matrix Lowest Root Major Pairs *********************************************************************** Internal RHF 0.1012485 Stable RRHF --> CRHF 0.0665675 Stable RRHF --> RUHF -0.0486567 11A=14B 10A=13B 11A=13B 10A=14B 9A=12B 7A=12B 10A= 18B 11A=17B 10A=22B 11A=21B Not stable. *********************************************************************** Does it mean my molecule is RHF -> UHF unstable? Ida N. L. Ma Research assistant Dept. of Chemistry Chinese University of Hong Kong