ADF-LIST Archive: NMR shift calculation

From: Fran Stephens <stephens_at_email.domain.hidden>
Date: Tue, 06 Aug 2002 11:44:35 -0400
X-Mailer: QUALCOMM Windows Eudora Version 5.0.2

After a single point calculation on a molecule, I am attempting to do an
NMR shift calculation. I am getting a pesky error. Has anyone encountered
this before?

  <Aug06-2002> <10:19:21> NMR 2000.02 RunTime: Aug06-2002 10:19:21
  <Aug06-2002> <10:19:21> >>>> GENPT
  <Aug06-2002> <10:19:21> Acc.Num.Int.= 4.000
  <Aug06-2002> <10:19:23> Block Length= 64
  <Aug06-2002> <10:19:24> >>>> POT
  <Aug06-2002> <10:19:25> OVERLAPPING RANGES OF FIT A1-COMBS
  <Aug06-2002> <10:19:25> END

Thanks for your help.

Sincerely,

Fran Stephens

MIT Department of Chemistry
77 Massachusetts Avenue, 6-327
Cambridge, MA 02139
Received on 2002-08-06 18:49:07