! 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 1 1
N   -0.40588169  -0.65554442   0.21162467 
C    0.77823305  -1.51605189   0.28097216 
C    1.83634242  -1.19429086  -0.76776976 
C    2.73014058  -0.01725910  -0.40105061 
C    1.99873391   1.30109036  -0.19495324 
C    0.94302239   1.26082798   0.91701879 
C   -0.33792221   0.63389937   0.46612840 
N   -1.37770115   1.42374557   0.29966922 
C   -2.68306921   0.98524273  -0.16031540 
C   -2.85360054  -0.47760529   0.18666407 
C   -1.64466715  -1.26061376  -0.27957871 
H    1.20264495  -1.47648403   1.28706386 
H    0.41821128  -2.53291832   0.14139574 
H    1.34900054  -1.02794739  -1.73277925 
H    2.45949744  -2.08294189  -0.88734202 
H    3.48538170   0.11639894  -1.17814327 
H    3.27326387  -0.26376050   0.51687065 
H    2.72478172   2.06991413   0.07301161 
H    1.53338939   1.63242904  -1.12721970 
H    1.32391556   0.72269783   1.78853553 
H    0.72345378   2.27404019   1.25306348 
H   -1.25559184   2.40139993   0.51408449 
H   -3.43548433   1.60109748   0.32843187 
H   -2.76502779   1.14713697  -1.23706078 
H   -3.74695086  -0.87376858  -0.29354622 
H   -2.97888820  -0.59436842   1.26469586 
H   -1.68823502  -2.27971405   0.10101917 
H   -1.60679261  -1.31665204  -1.37039065 
*