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47.3 Saving the hessian and other information (SAVE)

SAVE,options

The following options can be given:

hessian=record
Save hessian to record (same effect as option HESSREC). By default the hessian is saved on record 5300.2.
FREQ=record
Save frequencies and normal modes to record (same effect as option FREQREC). By default the frequencies are saved on record 5400.2.
TASK=record
Save task information for possible restart of hessian calculation to record (same effect as option TASKREC). By default the frequencies are saved on record 5500.2.



molpro@molpro.net 2018-01-18