I am sorry, I made a mistake in the math in my last posting. The equation for the pseudorotation in the Cremer & Pople formulation should contain an "I" at the indicated location. The pseudorotation parameters are calculated with 1/2 -- /2\ \ qm exp phim = --- / zj exp (2 Pi I m(j-1)/n) \n/ -- | j | where m = 2,3, ..., (n-1)/2. Dale Tronrud