Eldar Mamin
eldarmamin@gmail.com
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 |