! 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   -1.12281905   0.60343962   0.16888741 
C   -2.49571542   0.16507222  -0.09366124 
C   -2.83343071  -1.06867308   0.74342049 
C   -2.72860168  -0.11541890  -1.58039965 
C   -3.39448844   1.32055726   0.34779227 
C   -0.00463917  -0.14556624  -0.10113032 
N    1.16327221   0.53976092   0.12108312 
C    2.49938440  -0.05503235   0.03919610 
C    2.78289633  -0.54449429  -1.38043918 
C    3.47785149   1.07000720   0.37804349 
C    2.67684081  -1.19683679   1.04361469 
O   -0.04420303  -1.29550671  -0.49526356 
H   -0.99753087   1.60235081   0.17755334 
H   -2.65832447  -0.87499852   1.80257113 
H   -3.88642007  -1.32654646   0.61849296 
H   -2.23761417  -1.92882473   0.44947981 
H   -2.10780824  -0.93732725  -1.93020324 
H   -3.77239770  -0.37978466  -1.75914957 
H   -2.50211393   0.76649151  -2.18274224 
H   -3.25984942   1.54548247   1.40728447 
H   -4.44264487   1.06753174   0.19143898 
H   -3.19229494   2.22948461  -0.22542245 
H    1.09916143   1.34320804   0.72463196 
H    2.13705034  -1.37373030  -1.65722749 
H    2.63623461   0.26059259  -2.10175527 
H    3.81828485  -0.88081411  -1.45708322 
H    3.38167130   1.90374052  -0.31993835 
H    4.50434337   0.70836469   0.32653331 
H    3.31940334   1.44937168   1.39115537 
H    2.00099932  -2.02074523   0.82659025 
H    2.48441540  -0.85279674   2.06169426 
H    3.69888700  -1.57845950   1.00955243 
*
