! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl  -4.9809424735  -2.0770406787  -0.8924561270
O    1.7316554187  -1.5863392453  -0.3789852406
N    1.9315168542  -0.2107517151  -0.7065991772
N    2.3599504243   4.2199577124   0.8463234648
C    2.1460125924   0.4384641329   0.6026427883
C    1.0689303392  -0.2718575502   1.4495530817
C    0.8095055412  -1.5881678416   0.6876638380
C    1.8312715203   1.9112116717   0.4303814913
C    3.5286942544   0.1836070962   1.2016209019
C   -0.6259262506  -1.7208303473   0.2408486089
C    3.0418450805  -0.1593865792  -1.6281232249
C    0.6880283574   2.3082834519  -0.2617299619
C    2.6256236656   2.9199861531   0.9588506326
C   -1.0474698222  -1.4210553716  -1.0492314543
C   -1.5728984300  -2.1410702713   1.1711014817
C    0.4020809600   3.6543600970  -0.3904539339
C   -2.3860775627  -1.5281469516  -1.4022640623
C   -2.9125131463  -2.2526121164   0.8356205616
C    1.2687560525   4.5732118343   0.1819618423
C   -3.3083882942  -1.9416906841  -0.4559330120
H    1.4264464096  -0.4543055718   2.4619219256
H    0.1591817244   0.3212538174   1.5309738376
H    1.0614701105  -2.4510297235   1.3086718883
H    4.3300475446   0.6613262589   0.6374743785
H    3.7375676561  -0.8859566516   1.2401647801
H    3.5779903861   0.5549272489   2.2247909800
H    3.9503599811  -0.6537482255  -1.2698458936
H    3.2724752911   0.8867383909  -1.8270620225
H    2.7528720158  -0.6135577667  -2.5755874793
H    0.0270867901   1.5688995993  -0.6953181193
H    3.5269839300   2.6822752909   1.5094195353
H   -0.3409607974  -1.0916952659  -1.7975550398
H   -1.2650189525  -2.3911790789   2.1796226399
H   -0.4767759230   3.9907220300  -0.9229343313
H   -2.7006426922  -1.2893189236  -2.4091114408
H   -3.6329667242  -2.5831306776   1.5712176852
H    1.0710562470   5.6355503373   0.1012094541
*