! 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 "1-OCTANOL"
end
*xyz 0 1
Cl  -5.1497920781  -0.9912047909   0.9697713359
O    0.4393990912   0.4722699963   0.0838084215
O    5.1330728107   1.0628998067  -2.1988153761
O    6.0298225479   0.0392961885  -0.4338358091
C    2.7073662702   0.3315448264  -0.5460886991
C    1.3943337663  -0.4182955907  -0.4653866496
C    3.8064824120  -0.5578881951  -1.1331291047
C   -0.8314884476   0.0661376423   0.2600094407
C   -1.6981951466   1.0247646297   0.8095414621
C   -1.2985204846  -1.2013932680  -0.0648483347
C   -3.0227366538   0.6765905737   1.0190532689
C   -1.1910743184   2.3904932313   1.1574285757
C   -2.6311438607  -1.5334625075   0.1519279718
C    5.1107028586   0.1839367361  -1.2018914167
C   -3.4832815525  -0.5925770102   0.6923650797
H    2.9973082936   0.6639349373   0.4537198739
H    2.5745344067   1.2222240962  -1.1637149773
H    1.4976548212  -1.3085583542   0.1656801959
H    1.0830650685  -0.7487624048  -1.4632293108
H    3.5224550992  -0.8893034096  -2.1347157435
H    3.9473696755  -1.4438343584  -0.5138001610
H   -0.6461799558  -1.9523268677  -0.4895191409
H   -3.7010273390   1.4067631071   1.4422492379
H   -0.3891256107   2.3483569163   1.8969300288
H   -0.7908103423   2.9082227283   0.2836216449
H   -1.9880007804   3.0076099442   1.5701064114
H   -2.9848231295  -2.5226640426  -0.1054139318
H    5.9688230318   1.5539007572  -2.1918194044
*