! 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   -1.55587257   2.05030638   0.99461764 
C   -2.43492400   0.85779294   0.69948113 
N   -1.59824952  -0.24647796   0.18595274 
C   -2.16662580  -1.56460129  -0.16383045 
C   -1.05959004  -2.47742173  -0.63572848 
Si   0.00118782   0.00315111   0.00250712 
N    1.59886174   0.25020279  -0.20047520 
C    2.50815720  -0.05562518   0.92267876 
C    1.69682629  -0.56251328   2.09214146 
C    2.09067588   0.77670633  -1.49045683 
C    0.92066237   0.97462876  -2.42581909 
H   -1.05947917   2.44135259   0.09462738 
H   -2.14032661   2.89395651   1.36704928 
H   -0.82658782   1.84824134   1.79075800 
H   -2.94297586   0.50270261   1.59728150 
H   -3.18605712   1.08844992  -0.05744120 
H   -2.91759703  -1.40898372  -0.93989025 
H   -2.66168745  -1.96009913   0.72432225 
H   -0.32074631  -2.68331988   0.15003823 
H   -0.57064174  -2.10997742  -1.54918986 
H   -1.44631727  -3.45998427  -0.91262105 
H    3.22705323  -0.80077680   0.57896912 
H    3.04774116   0.85827796   1.17553370 
H    2.33506024  -0.80226959   2.94511970 
H    1.17819117  -1.50563599   1.86937310 
H    0.99862607   0.19230656   2.48024361 
H    2.80907242   0.06035995  -1.89186253 
H    2.60937454   1.71554927  -1.29121646 
H    0.41858228   0.03063847  -2.67683654 
H    1.24500031   1.37720907  -3.38723747 
H    0.20240557   1.71585369  -2.04808932 
*
