OPTIRL
Prev  Appendix A. Keyword Reference  Next

Name

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

Synopsis

 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.

Default value:

none

See also:

OPTIL, OPTIR.

Copyright © 1992-2013 Semichem, Inc. All rights reserved.
Prev  Up  Next
OPTIR  Home  OPTMAX