! 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   -1.22965175  -0.06658196  -0.22052180 
C   -2.15442304   0.27378859   0.84409353 
C   -3.23892382  -0.56267914   1.06784281 
C   -4.09396760  -0.23802843   2.10688144 
C   -3.85877842   0.89011124   2.88568197 
C   -2.76799192   1.71206805   2.63286413 
C   -1.89760699   1.40959342   1.59956166 
C   -1.69798905  -0.47793060  -1.52876509 
C   -1.05581664  -1.53663849  -2.15730704 
C   -1.49261321  -1.90422417  -3.41824481 
C   -2.54403989  -1.22083018  -4.01628879 
C   -3.17156971  -0.16783032  -3.35949233 
C   -2.75404162   0.21950689  -2.09789351 
C   -0.00621725  -0.00165635   0.00024063 
N    1.21606170   0.06338544   0.22189617 
C    1.92517477  -1.11744991   0.68090536 
C    1.33444475  -1.91507985   1.65109108 
C    2.00824091  -3.05771445   2.04830622 
C    3.23537371  -3.37529499   1.47918003 
C    3.80384540  -2.55327623   0.51257169 
C    3.15175944  -1.40410832   0.09958629 
C    1.91217994   1.32008182   0.01019952 
C    1.63862041   2.04515218  -1.14094716 
C    2.28976491   3.25466285  -1.31521431 
C    3.18301273   3.70850964  -0.35331180 
C    3.43946430   2.95705947   0.78819910 
C    2.80386324   1.74327476   0.98505387 
H   -3.41142547  -1.44236478   0.46143993 
H   -4.94754944  -0.86990810   2.30893276 
H   -4.53937843   1.13573657   3.68934704 
H   -2.60528550   2.59967374   3.22785140 
H   -1.07435010   2.07566219   1.36625715 
H   -0.26965089  -2.09979569  -1.66638653 
H   -1.02541599  -2.73650556  -3.92547886 
H   -2.88553718  -1.51774049  -4.99845665 
H   -3.99112408   0.35576558  -3.83143513 
H   -3.23350160   1.04251610  -1.58427806 
H    0.39913560  -1.63796309   2.12447128 
H    1.58405203  -3.68962857   2.81584360 
H    3.75902246  -4.26567663   1.79923812 
H    4.76083708  -2.80599713   0.07784553 
H    3.58592798  -0.76243296  -0.65588910 
H    0.97668588   1.66372679  -1.91025360 
H    2.11270426   3.83364267  -2.21060852 
H    3.69252470   4.65121518  -0.49849988 
H    4.13858917   3.31657596   1.53023922 
H    2.99546424   1.15582722   1.87355143 
*