Clarification on Gaussian 94 NMR



 The Gaussian manual is incorrect when it states that only
 pure DFT can be used to compute NMR shielding tensors; hybrid
 functionals also work fine.  This is covered in the release notes.
 (The only coupling in the CPKS for the hybrid functions comes from the
 "exact" (HF) exchange term; this part is the same as for HF shielding
 tensors except for the scale factor.  Of course, the right-hand sides of the
 linear equations are different in the two cases.)
 Mike Frisch
 frisch %! at !% lorentzian.com