! Freq RIJCOSX PBEh-3c CPCM(Acetonitrile)
%cpcm
surfacetype vdw_gaussian
end
%output 
xyzfile=True 
end 
%scf 
maxiter 250 
end
%output
Print[P_Hirshfeld] = 1
end
% maxcore
3000
%pal nprocs 16
end
*xyz 0 1
O   -0.18360157  -2.31395164  -0.53946769 
C   -0.08654457  -1.10434286  -0.34011890 
N    1.12372213  -0.51539012  -0.12166291 
C    1.46689446   0.86045202  -0.48695342 
C    2.94217241   0.77817680  -0.86694353 
C    3.45428114  -0.36248672   0.00409567 
C    2.31066163  -1.36370820  -0.05842292 
N   -1.18500603  -0.29632501  -0.33181170 
C   -2.48254863  -0.88199770  -0.65481924 
C   -3.45685224   0.25221936  -0.37408493 
C   -2.81452732   0.94982570   0.81897226 
C   -1.32942931   0.91989889   0.47133942 
H    0.84887822   1.21896483  -1.31158912 
H    1.32967249   1.54574497   0.35354523 
H    3.04826514   0.52021343  -1.92302165 
H    3.46025852   1.72189167  -0.70010549 
H    4.39227987  -0.79007080  -0.34863593 
H    3.60868981  -0.01932987   1.02983677 
H    2.27961833  -2.02518949   0.80834179 
H    2.39891982  -1.99134918  -0.95087199 
H   -2.70278592  -1.74335466  -0.01629206 
H   -2.51563661  -1.22273808  -1.69063848 
H   -3.51228594   0.93181525  -1.22767304 
H   -4.46329577  -0.11251143  -0.17180549 
H   -3.17685136   1.96457832   0.98025340 
H   -3.00214647   0.37958032   1.73166405 
H   -1.05524359   1.81257290  -0.09634682 
H   -0.69755863   0.88661129   1.36051673 
*