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Keyword category:

Transition State Location: CHN Methods

OPTIRL

OPTIRL — Optimize both the left (reactant) and right (product) starting geometries.

Usage

OPTIRL

Description

OPTIRL causes both the left (reactant) and right (product) starting geometries to be optimized prior to building the initial chain in a CHAIN/CHN calculation. Equivalent to OPTILR.

Abbreviation:

none

Requires:

CHN, CHECKCHN, FULLCHN, or CHAIN.

Required by:

none

Default value:

none

See also:

OPTIL, OPTIR.
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