! 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    1.77532847   0.35278655  -0.51356334 
C    2.93808077   0.43135728   0.35873760 
C    3.92257918  -0.72361805   0.25622018 
Se   0.56557405  -0.99105690  -0.40086411 
F    0.47707653  -0.90176202  -2.22469220 
F    0.79257937  -0.93430656   1.41460957 
N   -0.95142715   0.00582666  -0.32789161 
C   -2.15683727  -0.75388803  -0.63746353 
C   -2.78292979  -1.51255976   0.52541912 
C   -1.05206827   1.02063875   0.71287673 
C   -2.07143059   2.08609715   0.33702570 
H    1.99876569   0.47817655  -1.49303150 
H    2.60919914   0.56277777   1.38601208 
H    3.43447591   1.36340882   0.07865779 
H    3.47665463  -1.65782766   0.59927441 
H    4.26649588  -0.86641786  -0.76921482 
H    4.79949420  -0.53565812   0.87650299 
H   -1.93388117  -1.44049478  -1.45681222 
H   -2.88428824  -0.05522865  -1.05741809 
H   -3.11387618  -0.84439687   1.32082586 
H   -3.65777313  -2.06632574   0.18344023 
H   -2.08715261  -2.22805022   0.96580023 
H   -1.30089284   0.60086305   1.69317667 
H   -0.07950543   1.50111259   0.81024348 
H   -1.85623675   2.50124781  -0.64693373 
H   -2.03281338   2.89724185   1.06453714 
H   -3.09499104   1.71005642   0.33402533 
*
