! 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  -0.4306850297   2.2427909294  -0.4105746019
Cl  -5.1211009454  -0.3809965305  -0.5952936852
O    0.7203280360  -0.3578213839  -0.2818171152
O    4.9324863982   0.9016261942   2.2821243682
O    5.5406823471  -0.0937884215   0.3837260165
C    2.9510611222  -1.1312162791  -0.0831519700
C    1.4972740539  -1.5411321831  -0.1519338823
C    3.2536477953  -0.2553989954   1.1218167768
C   -0.6098931129  -0.4443533070  -0.3417725537
C    4.6903395465   0.1719910076   1.1970677606
C   -1.3158516292   0.7617814533  -0.4180067111
C   -1.3373771270  -1.6303567790  -0.3374316889
C   -2.6943740334   0.7899874944  -0.4965688965
C   -2.7230628829  -1.6148136352  -0.4137402054
C   -3.3925373255  -0.4085687911  -0.4948788298
H    3.2278090650  -0.6232043611  -1.0094089864
H    3.5421029699  -2.0485125649  -0.0409681433
H    1.2050539137  -2.0896079966   0.7508526866
H    1.3358393976  -2.1982630675  -1.0124796975
H    3.0028394511  -0.7762819331   2.0513128796
H    2.6378876079   0.6488388837   1.1153465011
H   -0.8376600799  -2.5873762151  -0.2763957528
H   -3.2139373476   1.7364226469  -0.5566395385
H   -3.2659026713  -2.5499087136  -0.4089124411
H    5.8626225914   1.1735309476   2.2980079645
*