Hello. Sorry for asking this question in poor English.
I am a student studying organometallic chemistry. I am doing a TS calculation using gaussian16 to find a pathway for a catalytic reaction, but for some reason, it outputs a structure where the two molecules are far apart and not in a transition state.
Each molecule has been structure-optimized with optfreq, and the scan calculation of each molecule is used as the initial structure for the TS calculation.
I have done the same thing with the same keywords in the pre-reaction phase of the catalytic reaction, and it completes to TS without any problems.
What seems to be the problem?
I am currently trying to see if the "noeigentest" is not necessary. I used "noeigentest" in both failed and successful calculations, but I am not sure if "noeigentest" is appropriate for a calculation with 84 atoms.