I want to extract the geometry for every single step of a Gaussian09 optimization from the .log file. I need the results in cartesian XYZ format, either in one file or in multiple files.First I tried to do this in open babel, but when I runobabel -ig09 gaussian_output.log -oxyz -m -O geometry.xyzthe program seems to fetch only the last geometry.Any other suggestions for a quick solution?
Extracting geometry data from Gaussian09 geometry optimization
computational chemistry