[molpro-user] Transition State Search
zheng at t1.chem.umn.edu
Thu Dec 14 22:16:39 GMT 2006
I am trying to locating saddle point of my systems by using
Molpro2002.6. The theory level is CCSD(T)/AVTZ and following command
used in my input file
But the program always searches minimum. I also run the example of "
provided in the manual. The program still searched the minimum instead
of transition state.
Any suggestions for this problem are appreciated.
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