! 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
C   -2.10822024   2.24049946  -1.26026673 
C   -2.38277489   0.77712171  -1.01724082 
N   -1.26940857  -0.02383784  -0.38302055 
C   -1.65090118  -1.40092506   0.03194383 
C   -1.95149611  -1.46944004   1.52111044 
S    0.04728231   0.79362653  -0.14529588 
N    1.28906986  -0.01727252   0.36399980 
C    1.53341478  -1.48360948   0.42688470 
C    1.76889641  -2.07098245  -0.95555654 
C    2.47132111   0.84495898   0.73957653 
C    2.31193400   2.33311584   0.54683547 
H   -1.93132254   2.80927731  -0.34592006 
H   -3.01009777   2.65796770  -1.70871028 
H   -1.30474185   2.42528473  -1.97590025 
H   -2.59883864   0.25185453  -1.95037174 
H   -3.23152142   0.64093977  -0.34387133 
H   -2.53797293  -1.63391319  -0.55537362 
H   -0.88059574  -2.10138730  -0.28084000 
H   -2.27303698  -2.48531254   1.75076510 
H   -2.76295165  -0.80137118   1.80528834 
H   -1.08570909  -1.24951491   2.14587433 
H    0.71604442  -1.96186882   0.96252481 
H    2.41782267  -1.59133730   1.05304716 
H    1.98504102  -3.13258163  -0.83650152 
H    0.90467702  -1.98365808  -1.61399360 
H    2.62727455  -1.61891094  -1.44967866 
H    2.66055914   0.60116983   1.78752375 
H    3.29740101   0.45274876   0.14265920 
H    3.24843850   2.79202432   0.86496198 
H    2.16622105   2.62914357  -0.49310614 
H    1.53439173   2.77639021   1.17265225 
*