Prev Up Next 

Keyword category:

Transition State Location: CHN Methods

OPTIR

OPTIR — Optimize right (product) starting geometry.

Usage

OPTIR

Description

OPTIR causes the right (product) 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, OPTIL.
Prev  Up  Next
OPTILR  Home  OPTIRL

Copyright © 1994, 1997, 2004, Semichem, Inc. All rights reserved.