! 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
F   -0.22891338  -2.07140657  -1.03953550 
S   -0.03245758  -1.42622966   0.53793286 
N    1.27349245  -0.51431586  -0.05250351 
C    2.34629177  -1.23183418  -0.61037428 
C    3.58848442  -0.76384720  -0.61425152 
C    3.98406608   0.54734776  -0.01099219 
C    2.77560688   1.25940042   0.51029098 
C    1.55451504   0.73942932   0.51219835 
F    0.16719915  -0.76153656   2.10674936 
N   -1.29477062  -0.31866211   0.28176212 
C   -1.54052624   0.16874306  -1.01106343 
C   -2.73772711   0.59943720  -1.38904059 
C   -3.95674375   0.54324353  -0.52237751 
C   -3.60078176   0.01802539   0.83289825 
C   -2.38059674  -0.37934518   1.17227071 
H    2.09210128  -2.17077457  -1.07592484 
H    4.34449092  -1.35793162  -1.10961238 
H    4.71898736   0.39810976   0.78965583 
H    4.49805015   1.16736032  -0.75472956 
H    2.89043298   2.26577522   0.88996572 
H    0.70347670   1.29558058   0.87313768 
H   -0.67912849   0.25154614  -1.65506711 
H   -2.82314383   1.03287474  -2.37639373 
H   -4.40824107   1.53875674  -0.43735209 
H   -4.73070740  -0.07988313  -0.98697186 
H   -4.36790444  -0.01895293   1.59456124 
H   -2.15575274  -0.73101058   2.16666700 
*
