C.1 Q-Chem Text Input Summary

C.1.13 Keyword: $opt

(May 16, 2021)

Note that units are in Ångstroms and degrees. Also see the summary in the next section of this Appendix.

$opt
CONSTRAINT
stre  atom1  atom2  value
...
bend  atom1  atom2  atom3  value
...
outp  atom1  atom2  atom3  atom4  value
...
tors  atom1  atom2  atom3  atom4  value
...
linc  atom1  atom2  atom3  atom4  value
...
linp  atom1  atom2  atom3  atom4  value
...
ENDCONSTRAINT

FIXED
atom   coordinate_reference
...
ENDFIXED

DUMMY
idum   type   list_length   defining_list
...
ENDDUMMY

CONNECT
atom   list_length   list
...
ENDCONNECT
$end