! 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   -1.46650712   0.32866509  -1.10092756 
C   -2.52349904   0.10023664  -0.06554310 
C   -3.72888657  -0.57807086  -0.70650981 
C   -2.88817937   1.40712794   0.61904934 
C   -1.80965644  -0.86277326   0.88103140 
Si  -0.02013309  -0.17333889  -0.53959645 
N    1.38460195  -0.93754426  -0.85586566 
C    2.51340714  -0.15986136  -0.25091647 
C    3.02272843  -0.84743973   1.00492537 
C    1.82013558   1.16509948   0.06264240 
C    3.61187222   0.04368753  -1.28729314 
H   -1.68629317   0.81275133  -1.96643217 
H   -3.45716120  -1.49064757  -1.23586915 
H   -4.46248836  -0.82971354   0.05876273 
H   -4.21716381   0.09820439  -1.40786393 
H   -2.03150502   1.87241270   1.11172337 
H   -3.65512537   1.23547763   1.37379949 
H   -3.29426843   2.12338601  -0.09450287 
H   -2.16978713  -0.87296124   1.91333940 
H   -1.74978310  -1.89463464   0.52256238 
H   -0.73043355  -0.49651355   1.12387593 
H    1.55053919  -1.83364688  -1.30411078 
H    3.42479362  -1.83357245   0.77492493 
H    2.24309426  -0.97105065   1.76000715 
H    3.83047340  -0.26712085   1.44996253 
H    1.63046054   1.79768278  -0.81177922 
H    2.31221060   1.78757254   0.81600930 
H    0.83424279   1.00058313   0.64371532 
H    4.38913736   0.69091914  -0.88160675 
H    3.23882409   0.49248668  -2.20742866 
H    4.08434960  -0.90730332  -1.53278532 
*
