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Example 1:

The 4d4 5s1 6 D state of Nb, in symmetry I

$closed shells
 a       1-4                                    ( 2 )
 t1      1-3                                    ( 2 )
 h       1                                      ( 2 )
$open shells type=1
 a       5                                      ( 1 )
 h       2                                      ( 4/5 )
$roothaan         1
$rohf
5a-5a      a = 0      b = 0
5a-2h      a = 1      b = 2
2h-2h      a = 15/16  b = 15/8



TURBOMOLE M