* **''FREQREC''=//record//** Save frequencies and normal modes to //record// (default 5400.2) This information is used, e.g., by the VSCF/VCI program.
* **''FREQREC''=//record//** Save frequencies and normal modes to //record// (default 5400.2) This information is used, e.g., by the VSCF/VCI program.
* **''TASKREC''=//record//** Save task information in numerical hessian calculation to the given record. This information is required for a restart of a numerical hessian calculation. By default, the information is saved on record 5500.2.
* **''TASKREC''=//record//** Save task information in numerical hessian calculation to the given record. This information is required for a restart of a numerical hessian calculation. By default, the information is saved on record 5500.2.
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* **''READH''** Read hessian from default hessian record.
* **''READH|START''=//record//** Use hessian from previously saved on //record//. If the hessian has been computed for the current method and geometry already, it is used by default.
* **''READH|START''=//record//** Use hessian from previously saved on //record//. If the hessian has been computed for the current method and geometry already, it is used by default.
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* **''READF''** Read frequencies and normal modes from default record.
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* **''READF''=//record//** Read frequencies and normal modes from previously saved on //record//..
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* **''READF''=//record//** Read hessian from previously saved on //record//..
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* **''RESTART''** Attempt to restart a previous numerical frequency/hessian calculation using default task record.
* **''RESTART''** Attempt to restart a previous numerical frequency/hessian calculation using default task record.
* **''RESTART''=//record//** Attempt to restart a previous numerical frequency/hessian calculation using task record //record//.
* **''RESTART''=//record//** Attempt to restart a previous numerical frequency/hessian calculation using task record //record//.
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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.
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* **''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.