RE: Having problems restarting a transition state search at a spe cifi c step using Gaussian 98W

Is there, in fact, a Z-matrix in the input?  I get the same error when I
 use
 geom=check and forget to delete the lines containing the (original
 input)z-matrix.
 --David Shobe
 Süd-Chemie Inc.
 phone (502) 634-7409
 fax     (502) 634-7724
 email  dshobe - at - sud-chemieinc.com
 Any opinions herein are not necessarily representative of Süd-Chemie.
 -----Original Message-----
 From: Gerry Tanoury [mailto:gtanoury - at - sepracor.com]
 Sent: Monday, July 24, 2000 1:45 PM
 To: 'chemistry - at - ccl.net'
 Subject: CCL:Having problems restarting a transition state search at a
 specifi c step using Gaussian 98W
 I am involved in a transition state geometry optimization using Gaussian
 98W.  The optimization was proceeding well, but took a wrong step after step
 10.
 I killed the job and wanted to restart the job at step 10 with an initial
 force calculation.  The checkpoint file was saved as: Mg synchairTS
 321G.chk.
 I used the following in the route section to restart the calculation from
 the checkpoint file.:
 # opt(calcfc,ts,noeigentest) rhf/3-21g* geom(connectivity,check,step=10)
 However, I obtained an error message and the following message in the output
 file:
 Redundant internal coordinates taken from checkpoint file:
  Mg synchairTS 321G.chk
  Z-Matrix unexpectedly found in input stream.
  Error termination via Lnk1e in d:\G98W\l101.exe.
 I have not been able to get past this. I would appreciate your help.  I
 assume this is just a simple syntax error that I cannot seem to correct.
 Thank you for your help,
 Gerald J. Tanoury
 gtanoury - at - sepracor.com
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