CCL:G: IRC calculations on Gaussian



 Sent to CCL by: "Zoubeyr  Boudene" [zoubeyr.boudene{:}ifpen.fr]
 Hello,
 I'm a Phd-student at the French Institute of Petroleum (IFPEN). Im carrying on
 calculations on Iron complexes reactivity. Ive already obtain a transition state
 and Im trying to perform an IRC calculation using Gaussian9. The input heading
 is as follows:
 %chk=checkpoint.chk
 %Mem=20GB
 %NProcShared=16
 #P IRC(rcfc,forward,maxpoints=10) scf=(maxcycle=6000,Conver=6) uM06/gen
 pseudo=read Nosymm geom=Check guess=Read
 The job is supposed to read atoms coordinates and frequencies from the file
 checkpoint.chk (containing the TS properties) and generate 10 geometrical steps.
 The problem is that the calculation ends after the very first step and I obtain
 the following message at the output file:
 -------------------------------------------------------------------
  Cartesian Forces:  Max     0.000431700 RMS     0.000069619
  Leave Link  716 at Thu Mar 29 05:53:07 2012, MaxMem= 2684354560 cpu:       0.9
  (Enter /soft/irsrvsoft1/expl/Gaussian_09_PGI80Lib105/g09/l9999.exe)
  This type of calculation cannot be archived.
  THOSE WHO ARE UNABLE TO LEARN FROM PAST MEETINGS
  ARE CONDEMNED TO REPEAT THEM.
  Job cpu time: 10 days 14 hours 38 minutes  3.8 seconds.
  File lengths (MBytes):  RWF=    993 Int=      0 D2E=      0 Chk=     82 Scr=
 1
  Normal termination of Gaussian 09 at Thu Mar 29 05:53:07 2012.
 I would like to know the origin of the problem and how to fix it.
 Sincerely yours,
 Zoubeyr Boudene
 IFPEN, Rueil-Malmaison
 France