printFreq.py

usage: printFreq.py [-h] [--type [TYPE]]
                    [--show [{intensity,vector,forcek,red_mass,symmetry,delta_anh,harmonic_frequency,harmonic_intensity,rotation,raman_activity} [{intensity,vector,forcek,red_mass,symmetry,delta_anh,harmonic_frequency,harmonic_intensity,rotation,raman_activity} ...]]]
                    [--fundamentals] [--overtone-bands] [--combination-bands]
                    filename

Prints frequencies from computational output file

positional arguments:
  filename              Completed QM output file with frequency info

optional arguments:
  -h, --help            show this help message and exit
  --type [TYPE], -t [TYPE]
                        Types of frequencies to print (defaults to `all`. Allowed values: `all`, `neg[ative]`, `pos[itive]`, or `x` to print the first int(x) modes)
  --show [{intensity,vector,forcek,red_mass,symmetry,delta_anh,harmonic_frequency,harmonic_intensity,rotation,raman_activity} [{intensity,vector,forcek,red_mass,symmetry,delta_anh,harmonic_frequency,harmonic_intensity,rotation,raman_activity} ...]], -s [{intensity,vector,forcek,red_mass,symmetry,delta_anh,harmonic_frequency,harmonic_intensity,rotation,raman_activity} [{intensity,vector,forcek,red_mass,symmetry,delta_anh,harmonic_frequency,harmonic_intensity,rotation,raman_activity} ...]]
                        Specify what additional information to show
                        Some info may not be available for certain file formats
  --fundamentals, -f    print anharmonic fundamental frequencies for files with anharmonic data
  --overtone-bands, -ob
                        print overtone frequencies for files with anharmonic data
  --combination-bands, -cb
                        print combination frequencies for files with anharmonic data