Hi,
if you occupy orbital 450 (a beta orbital) instead of 451 (an alpha orbital), you would get a singlet again.
A hole in the occupation just means that you are not in the ground state - but if the singlet is more stable than the triplet, this is normal.
To check if there is a more stable triplet, you could try to use $fermi. Add the keyword as described in the manual or from within define, but add nue=2 to the $fermi line in the control file (nue="number of unpaired electrons"). This option works with Turbomole 5.10 and newer.
$fermi tmstrt=350.00 tmend=150.00 tmfac=0.98 hlcrt=1.0E-01 stop=1.0E-03 nue=2
and rerun ridft.
You can, of course, always edit the occupation by hand in the control file and run an energy calculation.
Regards,
Uwe