[molpro-user] Calculating Frequencies with dummy atoms

[Jeremy Merritt]

Is it possible to do a frequency calculation with atoms dummied out?
For example when using additional bond functions.

I cant get the additional basis functions when I put them on X or Q dummy atoms

I get the error:
 Incrementing variable CX     by +/- 0.010 BOHR
 ILLEGAL DUMMY ATOM:    5
 CURRENT STACK:      MAIN

thanks

___________________________
Jeremy Merritt
Graduate Student, Roger Miller lab
University of North Carolina
Chapel Hill

Voice:919-962-1579
Fax:919-843-6041
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20051111/245c0db0/attachment.html>