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Example:
The
S state of Mo, treated in symmetry I
$roothaan 1
a = 1 b = 2
$closed shells
a 1-4 ( 2 )
t1 1-3 ( 2 )
h 1 ( 2 )
$open shells type=1
a 5 ( 1 )
h 2 ( 1 )
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