Hi,
I am trying to do a optimization job followed by frequency calculation by Gaussian 09 software. I have used the input keywords given below. But I am finding the error NtrErr in output. I increased the memory also but the problem was not solved. Please suggest a solution.
%chk=CPP.chk
%mem=2GB
#p opt freq=raman B3LYP/6-311++g(d,p)
Error termination in NtrErr:
NtrErr Called from FileIO.
Will you please upload the complete input file for understanding the issue.
It generally happens when the calculation wants to retrieve something from the .chk file it generates. That's not a problem, the problem is it fails to do so sometimes.
I had the same problem, but could you just remove the freq keyword from the command line and re-run the job. This would help, later you continue with the freq calculation.
It generally happens when the calculation wants to retrieve something from the .chk file it generates. That's not a problem, the problem is it fails to do so sometimes.
I had the same problem, but could you just remove the freq keyword from the command line and re-run the job. This would help, later you continue with the freq calculation.
You may visit the page,
https://docs.computecanada.ca/wiki/Gaussian_error_messages
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