! Freq RIJCOSX PBEh-3c CPCM(Acetonitrile)
%cpcm
surfacetype vdw_gaussian
end
%output 
xyzfile=True 
end 
%scf 
maxiter 250 
end
%output
Print[P_Hirshfeld] = 1
end
% maxcore
3000
%pal nprocs 16
end
*xyz 1 1
C    5.53112618  -1.89015698  -0.03915938 
N    4.15484380  -1.43912119  -0.16543448 
C    4.00755907  -0.02700787   0.10137112 
N    2.60067353   0.34774690  -0.11465174 
C    2.03271682   1.33141365   0.65860145 
C    0.80167441   1.81703957   0.46060629 
C   -0.11352783   1.25317850  -0.58608744 
C    0.65843256   0.35819893  -1.51044302 
C    1.90216276  -0.04939248  -1.23533054 
P   -1.50216867   0.34410771   0.24257148 
C   -2.72735281  -0.16216137  -0.98910261 
C   -3.96356750  -0.81733959  -0.37177207 
C   -4.94503746  -1.32457252  -1.42485563 
C   -5.55058715  -0.22208637  -2.28224295 
C   -2.26874237   1.45597702   1.45261663 
C   -2.81547772   2.75117172   0.86007519 
C   -3.48319612   3.61168557   1.92744490 
C   -4.01150471   4.92263768   1.36502694 
C   -0.88388721  -1.09328663   1.16016276 
C   -0.65030560  -2.36021704   0.34089758 
C   -0.20380075  -3.51418503   1.23274790 
C    0.11305935  -4.76838355   0.43320355 
N    4.96051621   0.74448175  -0.64360974 
C    5.10676446   2.10371966  -0.17490442 
C    4.85719247   0.68152369  -2.08580585 
C    3.28738645  -2.24071582   0.67961645 
H    6.17602097  -1.41869389  -0.77529696 
H    5.56216034  -2.96590044  -0.20962681 
H    5.95331942  -1.69676807   0.95738277 
H    4.19649163   0.19668862   1.16496357 
H    2.65825331   1.72659679   1.44827148 
H    0.45598918   2.62971828   1.08456661 
H   -0.62497669   2.04585381  -1.14738865 
H    0.19106548   0.02202183  -2.42590964 
H    2.42100755  -0.72704161  -1.89805670 
H   -2.98798946   0.73314681  -1.55868358 
H   -2.22771285  -0.84389384  -1.68353367 
H   -3.66177026  -1.65338601   0.26423504 
H   -4.47409726  -0.10245365   0.27960349 
H   -4.44544842  -2.06150104  -2.06025700 
H   -5.74510016  -1.85979070  -0.90844169 
H   -6.01724042   0.54501832  -1.66114475 
H   -4.80665978   0.26937434  -2.91074718 
H   -6.31761256  -0.62203308  -2.94549512 
H   -3.05889881   0.88942552   1.95255946 
H   -1.50798991   1.66073927   2.21107553 
H   -3.54001101   2.53139549   0.07064139 
H   -2.00869717   3.32204498   0.39236566 
H   -4.30098967   3.04658481   2.38295956 
H   -2.76519512   3.81304072   2.72728994 
H   -4.74838404   4.74717397   0.57929950 
H   -3.20635508   5.52113256   0.93578475 
H   -4.49037033   5.52108198   2.14018721 
H   -1.61181386  -1.28357830   1.95413147 
H    0.03739685  -0.76789499   1.65310574 
H    0.09993418  -2.17677998  -0.43010900 
H   -1.56632264  -2.65062837  -0.18045461 
H    0.67689792  -3.21180648   1.80630690 
H   -0.98734463  -3.72428201   1.96616276 
H    0.91585161  -4.58411341  -0.28308098 
H    0.42977596  -5.58402818   1.08329798 
H   -0.75803046  -5.11106404  -0.12771662 
H    4.25732111   2.75475962  -0.42631387 
H    5.99806771   2.54664960  -0.62171136 
H    5.23685240   2.12215845   0.90814926 
H    4.00857834   1.25113433  -2.48840336 
H    4.76570569  -0.34987489  -2.42275601 
H    5.76568182   1.09487521  -2.52626824 
H    2.23884852  -2.01784771   0.49748928 
H    3.48053916  -2.09582161   1.75309757 
H    3.43789926  -3.29558892   0.45232648 
*