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Keyword category:

Transition State Location: CHN Methods

OPTIL

OPTIL — Optimize left (reactant) starting geometry.

Usage

OPTIL

Description

OPTIL causes the left (reactant) geometry to be optimized prior to building the initial chain in a CHAIN/CHN calculation.

Abbreviation:

none

Requires:

CHN, CHECKCHN, FULLCHN, or CHAIN.

Required by:

none

Default value:

none

See also:

OPTILR, OPTIR.
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