hello sir. please can you help me for perform a redundant coordinate at OH bond?
@gabrielcarballesgarcia37175 жыл бұрын
Hello. I´ve just started using Gaussian a couple of weeks ago in the university, and I wondered if you could solve my doubt . I´m trying to make a PES of a cyclic ozone, but I just cant do it. I already have the opt+frec file, but when I try to perform a scan, the software changes the structure of the molecule to a lineal one, and I don´t know why. I think that my issue is because I don´t define the cooredinates of the Z-matrix as I should. How would you proceed?