c 1-41,43,45
to define these levels to be
doubly occupied.
a 1-5
alpha
levels to be occupied,
b 1-3,5
beta
levels to be occupied. Or simply,
s
, t
, or u 1
to get singlet, triplet or doublet
occupation pattern.
c 1-41,43,45
levels to be doubly occupied;
o 42
level 42 should be partially occupied. You will then be
asked to specify the occupation. If there are more open shells you
have to repeat, since only a single open shell can be specified at a
time. Watch the headline of the menu, which tells you the number of
electrons assigned to MOs.