! 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   3.8506257736  -1.5999945746   1.2012592887
Cl   3.8954008052  -1.3274748157  -1.6637506124
Cl   5.2520571571   0.6046540609  -0.0214574532
Cl  -5.2321165383  -0.3898215829  -0.6332139327
Cl  -3.9274748531   0.6765886330   1.7059940185
Cl  -3.8232472008   2.1121309560  -0.7869072438
O    2.2436111464   3.2455843796   0.0958934908
O   -2.1898075721  -2.6642849258  -1.9165149935
N    1.3796592544  -0.3841425400  -0.3325984612
N   -1.3644000809   0.5269482400  -0.1133607211
N    2.5406477011   1.2194982023   1.0908468636
N   -2.5742272301  -1.5827605955   0.0495799825
C   -0.5058530435   0.9488327226  -1.2089070754
C    0.5843503394  -0.0707990440  -1.5090826975
C   -0.5969043750   0.1836006478   1.0723570575
C    0.5473438766  -0.7894620978   0.7877195853
C    2.5342867661   0.4248948434  -0.1071128724
C   -2.5157136588  -0.2415299226  -0.4637694337
C    3.8266378396  -0.4401489899  -0.1409574550
C   -3.8174661871   0.5066751100  -0.0563812531
C    2.3904838709   2.5578299235   1.0866763464
C   -2.4039762940  -2.6741712607  -0.7206682445
H   -0.0491801107   1.9093321449  -0.9461827815
H   -1.1083955630   1.1310434950  -2.0996857298
H   -0.1981196611   1.1114686383   1.4928318496
H   -1.2384259438  -0.2362467454   1.8465477938
H    1.2335019217   0.2920178541  -2.3070390656
H    0.1305157685  -0.9964567489  -1.8796426676
H    0.1401784441  -1.7792642831   0.5614780138
H    1.1425064799  -0.9175601273   1.6913070648
H    2.6513325305   1.1196512500  -0.9420361446
H   -2.5755267442  -0.3212753759  -1.5518035890
H    2.6418497885   0.7722403571   1.9899709244
H   -2.7364047952  -1.7369109426   1.0337231044
H    2.4121329600   2.9751782160   2.1027376758
H   -2.4847347715  -3.6020630703  -0.1380183965
*