If there are imaginary mode in geometric optimization, adjust the structure and continue optimization until there are no imaginary mode.
You can also use Compound Methods (see manual 9.47)
Change your input file to 1.inp
Run ./autoopt.sh
Automatic geometric optimization
If there are imaginary mode in geometric optimization, adjust the structure and continue optimization until there are no imaginary mode.
You can also use Compound Methods (see manual 9.47)
Change your input file to 1.inp
Run ./autoopt.sh
Automatic geometric optimization
https://usu171.uk/2023/11/20/autoopt/