CCL:G: Problem with Gaussian opt(EF,TS)



 Sent to CCL by: "Shina  Kamerlin" [skamerli],[usc.edu]
 Hello all,
 I am having problems using Gaussian's opt(EF,TS), in that I get the following
 error message:
 ************************************************
  ** ERROR IN INITEF. NUMBER OF VARIABLES (111) **
  **   INCORRECT (SHOULD BE BETWEEN 1 AND 50)   **
  ************************************************
 I have gotten variations of this before for other structures where then I got
 NUMBER OF VARIABLES (0) instead of 111. This is a problem I have only had with
 G03 (which my new research group uses), never with G98, and it occurs mainly
 with larger structures, in this case 40 atoms. I'm using B3LYP/6-31+G*. I did a
 More O'Ferrall-Jencks plot in solution, so I am fairly sure that this structure
 is almost at the transition state. Someone posted this previously and it was
 suggested that they use ZMAT rather than Cartesian coordinates. I have tried
 both and get the same error message. I have tried other alternatives, like for
 instance using just TS or trying GDIIS, but its a difficult structure and I am
 fairly sure the only way to get this TS is using EF. Has anyone had this problem
 before, and does anyone know what is going on? I have never had this problem
 using EF before.
 Thanks,
 Shina Lynn Kamerlin