please send input and output file without that finding the cause of error is difficult

I am also having similar kind of problems. I want to optimize CF3I at MP2/aug-cc-pvtz with added ECP on I atom (aug-cc-pvtz-pp). I downloaded the proper basis set file from EMSL but can not put together the input file. Any help?

My input looks like this.

# opt mp2/gen pseudo=read

remarks

0 1

C x y z

F x y z

F x y z

F x y z

I x y z

C F 0

aug-cc-pvtz

****

@/home/prasanta/augccpvtzpp.gbs

#output

Consistency failure #1 in FindCO

ANY HELP?

@ prasanta

You didn't defined the basis set for Iodine. There is a pattern to define 2 different basis set for different atoms which is

O C H 0

tzvp

****

Zn 0

lanl2dz

****

Zn 0

lanl2

like this in the end of your input file. And other thing u can use with this is ecp mean instead of gen put genecp in route section.

I hope this will solve your problem.

Thank You Ravi Kumar

I have found the solution...

# opt mp2/gen pseudo=read

remarks

0 1

C x y z

F x y z

F x y z

F x y z

I x y z

C F 0

aug-cc-pvtz

****

I 0

!(content from basis set file obtained from EMSL)

****

I 0

I-ECP 4 28

!(content of ECP portion from basis set file obtained from EMSL)

thank you