! 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 2 1
N    1.30463994  -0.58080171   0.00645603 
C    2.69390391   0.07684081   0.19652162 
C    3.50821079  -0.36441821  -1.01510142 
C    2.52161528   1.58022146   0.26443992 
C    3.22689362  -0.50818684   1.49999327 
S   -0.00788183   0.25217817  -0.09146626 
N   -1.26090338  -0.65996763  -0.24564144 
C   -2.69370635  -0.09041110  -0.39033573 
C   -3.46945696  -0.67432883   0.78578136 
C   -2.62863008   1.42246206  -0.35140974 
C   -3.18860893  -0.61797801  -1.73256551 
H    1.30678181  -1.60382865  -0.04348980 
H    3.10361179   0.01914786  -1.95101377 
H    4.51525625   0.03879538  -0.90206824 
H    3.60881267  -1.44830477  -1.08202699 
H    1.92390936   1.91121734   1.11859885 
H    2.13177074   2.01662623  -0.65932063 
H    3.50751255   2.02247903   0.40742753 
H    2.62091797  -0.22856021   2.36103121 
H    4.22890380  -0.10701970   1.65769209 
H    3.32518515  -1.59377846   1.46393292 
H   -1.19078399  -1.68166847  -0.26561755 
H   -3.09009316  -0.33106312   1.74751504 
H   -3.49165387  -1.76463126   0.77426233 
H   -4.50333527  -0.33754241   0.70015123 
H   -3.64475008   1.80130429  -0.45938012 
H   -2.26343597   1.81898354   0.60001380 
H   -2.06176958   1.85377324  -1.18122316 
H   -2.60735710  -0.23437613  -2.57033856 
H   -4.21731737  -0.27953102  -1.86317882 
H   -3.20814174  -1.70763286  -1.77503952 
*