! 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 2 1
C    2.86283912   0.74687722  -2.47400200 
N    4.06029262   0.59582717  -1.65771374 
C    5.28089368   1.13117984  -2.24416799 
C    4.03775003   0.03137024  -0.46003279 
N    2.89641740   0.13621181   0.28943146 
C    2.40709721  -0.94748017   1.03096233 
C    1.26697710  -0.88316522   1.70983733 
C    0.38813121   0.33005946   1.70358082 
P   -1.16657403  -0.00776437   0.75380212 
C   -2.02903486  -1.39338960   1.54271167 
C   -3.50950298  -1.51192044   1.17891035 
C   -4.14492217  -2.73167318   1.83518953 
C   -5.62248843  -2.85725035   1.49451765 
C   -0.67216176  -0.38125804  -0.94415968 
C   -1.78901441  -0.81322713  -1.89133320 
C   -1.27945375  -0.89771024  -3.32582132 
C   -2.35279256  -1.36716807  -4.29579773 
C   -2.18197201   1.48975197   0.76960934 
C   -2.53920116   1.97947281   2.17354959 
C   -3.47938725   3.18143317   2.14040044 
C   -2.85892702   4.42562143   1.52028353 
C    1.10555100   1.49758912   1.09970188 
C    2.23996039   1.36689227   0.42101503 
N    5.07561592  -0.62732076   0.03461753 
C    5.38644828  -0.64312901   1.45799746 
C    6.00313771  -1.36758951  -0.80844287 
H    2.50337279   1.77582793  -2.46264250 
H    2.07326173   0.08264489  -2.13612310 
H    3.11430458   0.47839372  -3.49894893 
H    5.67536467   0.47646809  -3.02056727 
H    6.03750398   1.29273185  -1.48186805 
H    5.04127483   2.09420733  -2.69253262 
H    3.00214582  -1.84841445   1.00906774 
H    0.95995286  -1.75134935   2.27652672 
H    0.04938061   0.56428001   2.71920376 
H   -1.91129127  -1.26646627   2.62273949 
H   -1.48396782  -2.30035217   1.26680395 
H   -3.63478864  -1.58011518   0.09645770 
H   -4.04320989  -0.61275765   1.49747482 
H   -4.01766300  -2.66680277   2.91940778 
H   -3.61262837  -3.63185385   1.51548007 
H   -6.18006429  -1.98082166   1.82869597 
H   -6.06491973  -3.73262392   1.96993433 
H   -5.77147757  -2.95316795   0.41787426 
H   -0.18785037   0.52876639  -1.31085175 
H    0.09824309  -1.15481645  -0.88417735 
H   -2.62909183  -0.11494236  -1.84645160 
H   -2.17425805  -1.78912957  -1.58711203 
H   -0.90559613   0.08368460  -3.63096881 
H   -0.42272046  -1.57663855  -3.36358579 
H   -2.72555391  -2.35618563  -4.02455808 
H   -1.96661862  -1.42695391  -5.31337240 
H   -3.20422864  -0.68466296  -4.30491642 
H   -1.62287519   2.24147521   0.20687631 
H   -3.08512412   1.27371356   0.19156274 
H   -3.01039141   1.17347461   2.74123434 
H   -1.63128976   2.25394667   2.71755275 
H   -4.39307595   2.90940245   1.60455518 
H   -3.78077748   3.40229609   3.16667958 
H   -3.54064291   5.27372192   1.58426818 
H   -1.93788685   4.70206262   2.03692822 
H   -2.61715374   4.28584169   0.46578737 
H    0.69671262   2.49033207   1.22926650 
H    2.75175255   2.21948886  -0.00226828 
H    5.23573101  -1.63724853   1.87787046 
H    4.78084745   0.07568784   2.00178427 
H    6.43362342  -0.36891099   1.58220805 
H    6.94621088  -0.83640442  -0.93300844 
H    6.20533926  -2.32259192  -0.32512141 
H    5.56444464  -1.56747830  -1.78191251 
*