I am trying to submit this input file using two different basis sets (6-31g(d) and lanl2dz) but the file doesn't run.
error:
Wanted an integer as input.
Found a string as input.
C S O H 0
?
Can anyone tell me what the problem is, please?
Hi Yasmin Choaie are you using Guassian? If so, have you looked into the gen keyword?
Dear Yasmin ,
I have corrected the input file accordingly. Now run and check the corrections I have made.
best wishes
Dear Snehasis Banerjee thank you for the correction. I submitted the input file but I am unable to obtain the formchk file.
Dear Yasmin, you will get methoxyth2sn.chk file, in your scratch folder probably under C drive (or other places), then convert it to formchk.
best,
Snehasis Banerjee yes I am aware. However there is an error converting the chk file
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