! 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    1.41807065  -0.98731829  -0.94156221 
C    2.11434761  -1.16064993   0.32303184 
C    3.42404914  -0.39573962   0.46393168 
S    0.74390501   0.56541000  -1.22462183 
N   -0.59849809   0.32621735  -0.25189943 
C   -1.12333550   1.54127538   0.35139272 
C   -1.92052690   2.44614884  -0.57876492 
C   -1.55037424  -0.71399551  -0.61946697 
C   -1.92140048  -1.57957376   0.57237778 
O    0.42040191   0.51825153  -2.66597367 
H    1.99283589  -1.21826209  -1.74481592 
H    1.42205399  -0.87722667   1.11799524 
H    2.29118783  -2.23100450   0.44936193 
H    3.27027566   0.68055606   0.38097753 
H    3.88397169  -0.59087170   1.43319975 
H    4.14110295  -0.68967940  -0.30433749 
H   -1.73856112   1.24438442   1.20418262 
H   -0.28269657   2.09755915   0.77271896 
H   -2.78041759   1.93341495  -1.00907900 
H   -1.30689650   2.80963520  -1.40307898 
H   -2.29613478   3.31172679  -0.03212924 
H   -1.09980091  -1.33345531  -1.39405774 
H   -2.44761421  -0.27369755  -1.06468738 
H   -2.64652940  -2.34006279   0.28072396 
H   -2.36815924  -0.99786043   1.37990777 
H   -1.04115680  -2.08518214   0.96787301 
*
