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harmonic_vibrational_frequencies_frequencies [2023/04/27 14:24] – typo dollharmonic_vibrational_frequencies_frequencies [2024/01/08 13:24] (current) – external edit 127.0.0.1
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   * **''DEBUG''** Print Debug information, same as ''PRINT=1''.   * **''DEBUG''** Print Debug information, same as ''PRINT=1''.
   * **''SCALE''=//value//** Scaling factor for frequencies. The scaled frequencies are used to compute the ZPE and thermodynamic properties.   * **''SCALE''=//value//** Scaling factor for frequencies. The scaled frequencies are used to compute the ZPE and thermodynamic properties.
 +  * **''STARTCMD''=//command//** Specifies a start command. In each frequency calculation step, all input beginning with command to the current FREQ or HESSIAN command is processed.
  
 For compatibility with older MOLPRO versions many of the options can also be set using directives, as described in the following sections. For compatibility with older MOLPRO versions many of the options can also be set using directives, as described in the following sections.