! 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 2 1
N    1.53095497  -0.41944400  -0.47965930 
C    3.04804401  -0.20913251  -0.58148162 
C    3.43929643   1.07616961   0.12267994 
C    3.65862834  -1.43547534   0.08919248 
C    3.35624111  -0.16055004  -2.07416743 
S    0.59645646   0.62626398   0.20818952 
N   -0.92795729   0.27452961   0.19377188 
C   -1.73282162   1.33060148   1.08530900 
C   -0.79591499   2.44292545   1.56221556 
C   -2.24303234   0.57333094   2.30493022 
C   -2.82475664   1.96671869   0.23019361 
C   -1.52043100  -1.00899730  -0.45591325 
C   -3.03914658  -0.94972924  -0.57593098 
C   -0.97205816  -1.15198167  -1.89243015 
C   -1.12524272  -2.17746053   0.45407703 
H    1.17014503  -1.26019582  -0.92648279 
H    3.00767487   1.97016298  -0.33426343 
H    3.22263681   1.06516585   1.19373442 
H    4.51947285   1.18854094   0.03569276 
H    3.37453780  -2.36470916  -0.40647315 
H    4.74378435  -1.35841713   0.01885666 
H    3.40042030  -1.50089236   1.14572150 
H    3.04968369  -1.06992800  -2.59224092 
H    4.43610202  -0.07547208  -2.19630883 
H    2.90061016   0.69980242  -2.56347843 
H   -0.37545005   3.05039705   0.75682985 
H   -1.40942232   3.12403724   2.15116010 
H   -0.00246965   2.11859343   2.23999595 
H   -2.78272939   1.28743004   2.92819407 
H   -2.94144091  -0.22650916   2.08061439 
H   -1.42791921   0.17313484   2.90777484 
H   -3.16376597   2.86004145   0.75385469 
H   -2.45563582   2.29261442  -0.74175603 
H   -3.69819035   1.34254257   0.09414012 
H   -3.56845252  -0.81030344   0.35986038 
H   -3.37198731  -0.21529047  -1.30462736 
H   -3.34471744  -1.92618982  -0.95172364 
H   -0.74989431  -0.19985862  -2.37494876 
H   -1.74106912  -1.61984509  -2.50455085 
H   -0.11772625  -1.82421416  -1.99189160 
H   -0.05217816  -2.28591068   0.62033190 
H   -1.60761983  -2.11131728   1.42701656 
H   -1.46295924  -3.10117905  -0.01630891 
*