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freezing bond length in IRC job

Eldar Mamin
eldarmamin@gmail.com


Dear Fireflly Users,

Can I freez bond length in IRC job?

To define molecule I use Z-matrix, and function ifreez to make coordinate frozen. Following that way I get Saddle point, but during runtyp=irc  no coordinate is kept frozen.  

Can anyone help me?

This message contains the 883 kb attachment
[ 1411_DE_MR_en_1_401_IRC.out ] out irc


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