! 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    1.31006066  -1.08089658  -0.31116208 
C    2.38547371  -1.02981682  -1.19532407 
C    3.37702124  -0.14024109  -1.01556669 
C    3.36514855   0.84130785   0.08313167 
C    2.18574852   0.72498834   0.95596779 
C    1.22563578  -0.19959278   0.75549472 
S    0.00002859  -2.04719080  -0.72979699 
N   -1.31247326  -1.00699352  -0.57721893 
C   -2.39009633  -1.43270983   0.19558526 
C   -3.37910935  -0.58124561   0.51746150 
C   -3.36362813   0.83440831   0.11025003 
C   -2.18210371   1.19843152  -0.68840911 
C   -1.22437323   0.30649587  -1.01053378 
H    2.37170666  -1.73942763  -2.01204547 
H    4.20935979  -0.15315508  -1.70733154 
H    4.27840467   0.73028092   0.69426681 
H    3.47584270   1.86865711  -0.30129580 
H    2.10966434   1.35970744   1.82966782 
H    0.40402905  -0.34208997   1.44301266 
H   -2.37896269  -2.46885594   0.50698937 
H   -4.21297956  -0.95961699   1.09443089 
H   -4.27545689   1.06663121  -0.46800018 
H   -3.47463522   1.49923351   0.98255661 
H   -2.10273145   2.20109613  -1.08877794 
H   -0.40157447   0.55079443  -1.66745254 
*
