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Keywords for redundant internal
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Keywords for System Specification
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RHF
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UHF
$uhf
directs the program to carry out a UHF run,e.g.
$alpha shells a1g 1-4 ( 1 ) a2g 1 ( 1 ) $beta shells a1g 1-4 ( 1 ) a2g 1 ( 1 )
The specification of MO occupation for UHF,
$uhf
overwrites closed-shell occupation specification.
TURBOMOLE