! 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  -0.1730199360   1.1705365578  -2.5345529808
Cl   3.8675613769   2.6163729614   0.6191326097
O   -2.2643335696   0.1514133390  -0.7254948632
O   -1.6708972686  -0.9571916168   1.1394416012
N    0.1172524750  -2.6055319886  -0.4638799713
N   -0.1038936362  -3.5007354817   0.5006245471
N    2.0768349785  -3.4139765722  -0.0010949325
C   -1.2234786899  -0.5601501653  -0.1226629184
C   -3.2567507740   0.4459690809   0.2541275661
C   -3.0633358817  -0.7049921373   1.2272399645
C   -0.9439125005  -1.7948899446  -1.0005975168
C    0.0370020316   0.2816255060   0.0480422767
C   -3.0641294410   1.8277205613   0.8608174023
C   -4.2466689945   2.2433961606   1.7227475764
C    0.5732348004   1.0620043434  -0.9747625447
C    0.7388900527   0.2411797384   1.2499012086
C    1.7452996059   1.7852500842  -0.8070545469
C    1.9122416445   0.9493601060   1.4432641409
C    1.4224410413  -2.5588329421  -0.7470653940
C    2.4051721104   1.7214406902   0.4067772406
C    1.0954345420  -3.9619321614   0.7429303463
H   -4.2282652244   0.3924792051  -0.2439070920
H   -3.3062565675  -0.4604212597   2.2617346228
H   -3.6435174499  -1.5867170661   0.9355499795
H   -0.6693153604  -1.4942949674  -2.0106096783
H   -1.8447622535  -2.4048827047  -1.0721172770
H   -2.1441255536   1.8557918503   1.4527732718
H   -2.9347200524   2.5462002774   0.0475968335
H   -4.0934102717   3.2403406869   2.1361002693
H   -5.1729151657   2.2664215578   1.1453999277
H   -4.4005627566   1.5667054077   2.5652423861
H    0.3670326292  -0.3615279257   2.0658361765
H    2.1338206899   2.3879436385  -1.6163164397
H    2.4299511953   0.8922437034   2.3905233381
H    1.8393923125  -1.9074716330  -1.4998252918
H    1.2711908275  -4.7287296744   1.4815154207
*