Dear Daniel, I whipped out a z-matrix for you: x h,1,1.0 x,2,1.0,1,90.0 n,2,r1,3,90.0,1,180.0 c,4,r2,2,a1,3,-90.0 c,4,r2,2,a1,3,90.0 c,5,r3,4,a2,2,180.0 c,6,r3,4,a2,2,180.0 h,5,r4,4,a3,2,0.0 h,6,r4,4,a3,2,0.0 h,7,r5,5,a4,4,180.0 h,8,r5,6,a4,4,180.0 I will let you supply the various geometric parameters (i.e., r1, r2, a1,...). I think this should come out perfectly as C2v. Good luck! Sincerely, John J. Nash Purdue University john-: at :-cv1.chem.purdue.edu