I believe this to be a bug with Avogadro
Environment Information
Avogadro version: 1.99.0
Operating system and version: macOS 13.6.3 (running on ARM/M2)
Actual Behavior
Crashes on startup with a segfault
Steps to Reproduce
Output file is attached. The job is a single point energy plus vibrational frequencies (the geometry is pre-optimised, so a geom opt would be a waste of CPU cycles). I’m making an assumption that it’s the missing geometry optimisation that causes the problem, but perhaps it is something else.
0-hess-full.out (85.3 KB)