! 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   0.4438783065  -1.8538595228  -2.0042542507
Cl   5.2048660792  -0.7806759010   0.1945520266
O   -1.1038116845   1.3986618851   0.5375836807
N   -2.8913145669  -0.8472994338   0.6604151219
N   -4.9723643766  -0.1747826835   0.9199911863
C   -0.7504363154   0.1602430878  -0.0060517972
C   -1.4595327904  -0.9145728186   0.8181186565
C    0.7455650554  -0.0720914956   0.0230132640
C    1.3741392432  -0.9688276910  -0.8351777699
C    1.5446535048   0.5917405432   0.9480824141
C   -3.6236953368  -1.4665961763  -0.3153460750
C   -3.7479289708  -0.0764457609   1.3654895955
C   -0.9687392506   2.4872834533  -0.3592466243
C    2.7400391333  -1.1981921502  -0.7971532128
C    2.9122946171   0.3844701557   1.0136339814
C    3.4984587440  -0.5104419511   0.1346451135
C   -4.9068635948  -1.0411953457  -0.1338331914
C   -1.4531017345   3.7209070751   0.3243517108
C   -0.7366824445   4.8318479129   0.4336763067
H   -1.1045537686   0.0889518575  -1.0445068289
H   -1.1230328714  -1.9063474342   0.5188414813
H   -1.2088347997  -0.7962384459   1.8731432494
H    1.0915696527   1.2941029393   1.6350121958
H   -3.1800032451  -2.1444446359  -1.0264633004
H   -3.4215255409   0.5278373236   2.1975831968
H    0.0707645882   2.6139578146  -0.6861198616
H   -1.5708836760   2.2990341527  -1.2589584208
H    3.1995285552  -1.8977485052  -1.4815822934
H    3.5076536165   0.9165567995   1.7425190405
H   -5.7813960835  -1.3196978790  -0.7013883535
H   -2.4653480854   3.6869935513   0.7172515354
H   -1.1408225671   5.7184891392   0.9051507189
H    0.2754101747   4.9042686781   0.0512184215
*