Subject: C1 symmetry and minima

From: "E. Lewars" <[email-masked]>
Date: Wed, 15 Jun 1994 22:20:20 -0400

Daniel Kost inquired about pesky imaginary freqs in optimized structures, even
when these have C1 sym.  It should perhaps be pointed out that there is no 
reason why a C1 structure has to be a minimum; it could be a first-order
saddle point (a transition state), a higher-order saddle point (a mountain
top), or not even a stationary point.  Obviously the optimized structures
he's gettin should be stationary points, and one imag. freq. pins them
down as transition states.  (Some TS's are "trivial" in that changing a
torsional angle is essentially all that's needed to give a minimum).
===