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- NATORB=record
- Save natural charge orbitals in given record.
- UNOMIN=unomin
- Minimum occpation number for UNO-CAS (default 0.02)
- UNOMAX=unomax
- Maximum occupation number for UNO-CAS (default 1.98)
molpro@molpro.net
Oct 10, 2007