CCL:G: error in frequency calculation
- From: "zjwu" <zjwu#%#imr.edu>
- Subject: CCL:G: error in frequency calculation
- Date: Tue, 9 May 2006 07:50:37 +0900
Sent to CCL by: "zjwu" [zjwu(-)imr.edu]
Recently, I have calculated the electronic properties of molecules containing
transition metal (also radioactive) Tc. However, during my calculation, I have
found that the geometry optimization was finished perfectly, but the frequency
calculation teminated with an error message. Here in the following, I attached
an error message from a calculation of diatomic molecule TcC:
Defaulting to unpruned grid for atomic number 43.
Full mass-weighted force constant matrix:
Low frequencies --- -NaNQ -NaNQ -NaNQ -NaNQ -NaNQ -NaNQ
Molecule is linear but NTrRo=3.
Error termination via Lnk1e in /opt/g03/g03/l716.exe
Does anybody know how to solve the problem?
Thank you very much.