I am trying to calculate the energy of a hydrogen bond between RCOO- and Tyrosine (figure below). I freeze the O-O bond at 2.8A and calculate the energy by changing the distance between O-H. But when I set O-H distance less than 0.95 it shows error termination.
I used B3LYP/6-31G method. Here, I am giving the error:
Error termination request processed by link 9999.
Error termination via Lnk1e in /opt/gaussian/g16/prebuilt-avx2/g16/l9999.exe at Thu Nov 16 17:51:36 2023.