! 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  -0.5073538704  -0.5471768541   2.5643103751
Cl   2.0060350067  -4.0815409442  -0.5296298321
O   -1.7300018733   1.4019906384   0.7187668118
O   -0.7199126510   1.9494347606  -1.1809640836
N    1.8059279029   2.2213245202   0.3795795480
N    2.6846113456   1.4043581963   0.9644115817
N    3.5862675743   2.3531155299  -0.8512874538
C   -0.4926683211   1.3938135045   0.0793530403
C   -2.7561599606   1.2912524696  -0.2661526763
C   -1.9996542163   1.4938033347  -1.5881042739
C   -3.4886863491  -0.0344853545  -0.1764564029
C    0.4508628346   2.3190400457   0.8556941247
C    0.0899998109  -0.0142569925  -0.0509936937
C   -4.6663313141  -0.1031971582  -1.1423722738
C    0.1346919486  -0.9250455655   1.0017682275
C    0.6767441504  -0.4030937595  -1.2513948505
C   -5.3898901758  -1.4390804513  -1.0783756888
C    0.7155281338  -2.1765323426   0.8631114119
C    1.2665643227  -1.6440355047  -1.4188229667
C    2.3538208271   2.7754241415  -0.7058023621
C    1.2770606118  -2.5244375253  -0.3525301513
C    3.7364330524   1.5178873219   0.1963226796
H   -3.4607120290   2.1103054800  -0.0902816912
H   -1.9210933277   0.5596276325  -2.1571718327
H   -2.4474170030   2.2502529999  -2.2313300991
H   -3.8499098008  -0.1747264282   0.8463113906
H   -2.7922762880  -0.8548271758  -0.3805592364
H    0.4512695197   2.0627857599   1.9126705672
H    0.1039891559   3.3481008716   0.7580617182
H   -4.3248377634   0.0695175482  -2.1681663450
H   -5.3678390015   0.7056134407  -0.9167489279
H    0.6818807436   0.2797600972  -2.0895332515
H   -5.7642443805  -1.6410955093  -0.0729021518
H   -6.2435104160  -1.4623854728  -1.7570942824
H   -4.7283489189  -2.2625237630  -1.3540694136
H    0.7330978475  -2.8651907128   1.6964857413
H    1.7114445493  -1.9104695748  -2.3673908467
H    1.8303999717   3.4726195059  -1.3410283185
H    4.6497971659   0.9808097786   0.3999336661
*