CFOUR_THERMOCHEMISTRY


Specifies whether to calculate finite-temperature thermodynamic corrections after a frequency calculation. OFF (=0) skips this; ON (=1) gives abbreviated output; and VERBOSE (=2) gives elaborate output that is separated by translation, rotation and vibration. Default: ON (currently not available in public version)

  • Type: string
  • Possible Values: OFF, ON, VERBOSE
  • Default: ON