Keyword category:

Transition State Location: CHN Methods

CHECKCHN(n)

Description

CHECKCHN is the same as CHN except that execution halts immediately after the chain path geometries have been determined and analyzed. This option may be useful to quickly explore proposed reaction paths and experiment with options without having to perform a full CHN calculation. The initial number of nodes is set to "n." If CHECKCHN is specified without the "(n)" then the initial number of nodes is set to 5. (See Chapter 7, CHN Methodsfor more details.)

If FORCE or LFORCE is also specified, then IR frequencies will be computed for each extrema on the chain path. If FORCE and THERMO are specified, then thermodynamic properties will be computed along with the IR frequencies.

See also:

CHN, TS, LTRD.