Alexx,
You need to edit one header file and recompile.
Here is what you need to do
1) cd $NWCHEM_TOP/src/atomscf
2) edit the file cguess.fh at line 8 and change it from
parameter (nb=500, no=60, maxatsym=4)
to
parameter (nb=520, no=60, maxatsym=4)
3) recompile by typing make or make FC=...
4) cd ..
5) relinke by typing make link or make FC=... link