! Freq RIJCOSX PBEh-3c
%output 
xyzfile=True 
end 
%scf 
maxiter 250 
end
%output
Print[P_Hirshfeld] = 1
end
% maxcore
4800
%pal nprocs 8
end
*xyz 0 1
N    1.01691177  -1.35577148   1.27173135 
C    1.76620683  -0.54344616   0.39668211 
C    2.74628048  -1.11860626  -0.40936410 
C    3.47345032  -0.32231818  -1.28037947 
C    3.25354369   1.04570024  -1.34210960 
C    2.28848473   1.61924887  -0.52721686 
C    1.53626431   0.82869466   0.32649021 
S   -0.05383088  -2.52119656   0.62219646 
N   -0.97792102  -1.64298336  -0.51786772 
C   -1.77219055  -0.58179090  -0.06961067 
C   -2.61871829  -0.74993620   1.02659438 
C   -3.40093083   0.30520309   1.46915558 
C   -3.37591821   1.52906201   0.81740721 
C   -2.55038335   1.69008767  -0.28582028 
C   -1.74307100   0.65137134  -0.71887622 
O    0.75621307  -3.40930579  -0.22343272 
H    0.56432158  -0.84934057   2.02355355 
H    2.94862565  -2.17628747  -0.33719791 
H    4.23075010  -0.77724412  -1.90509902 
H    3.83459328   1.66170698  -2.01503928 
H    2.10953155   2.68580104  -0.56182049 
H    0.76133224   1.27725261   0.93677305 
H   -0.45223993  -1.47041299  -1.36917990 
H   -2.68975022  -1.71230751   1.51716496 
H   -4.05181572   0.15962303   2.32129102 
H   -3.99834135   2.34450357   1.15950367 
H   -2.52304558   2.63605425  -0.81069171 
H   -1.07835266   0.79673819  -1.56163759 
*