| NONET | ||
|---|---|---|
|
Appendix A. Keyword Reference |  |
| NONET | ||
|---|---|---|
|
|
Appendix A. Keyword Reference | |
NONET — RHF nonet state required.
NONET
Constrains the spin multiplicity of the primary CI eigenstate to be 9, i.e., a nonet,
corresponding to 8 unpaired electrons. For
ROOT=n,
the nth lowest-energy
nonet CI eigenstate will be the primary eigenstate.
 |
Copyright © 1992-2013 Semichem, Inc. All rights reserved. |
|
|
 |
|
| NOHL |  |
NONR |