! 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  -4.7028075773  -0.1347054524   0.1427222441
O    1.1363618754  -0.4426515233   0.3637205883
O    3.5777344924   1.5255567770   0.2366045909
O    2.7526179900   1.4210037594  -1.8290036135
C    3.3167586441  -1.3892928616   0.2645269094
C    1.8314841314  -1.6717520670   0.2278358956
C    3.8109150913  -0.5267726582  -0.8957762145
C   -0.2100874572  -0.4391038868   0.3092103546
C   -0.8262242302   0.8182488965   0.4200978681
C   -0.9830310986  -1.5852603621   0.1599618691
C   -2.2094409737   0.8852253916   0.3677459696
C   -0.0069829853   2.0621869610   0.5805802845
C   -2.3689352434  -1.4994760552   0.1082275711
C    3.3039715384   0.8878982489  -0.8975270865
C   -2.9729164412  -0.2633284520   0.2097519676
H    3.8240944102  -2.3539338224   0.2062753314
H    3.5953522945  -0.9533211917   1.2251979240
H    1.5648143804  -2.3542472122   1.0422330714
H    1.5645814416  -2.1575748699  -0.7180546428
H    3.5443661539  -0.9849376983  -1.8483921979
H    4.9034147287  -0.4792966438  -0.8576856415
H   -0.5309196841  -2.5642677434   0.0816206442
H   -2.6941309588   1.8496931351   0.4510173342
H    0.6954384354   1.9820812814   1.4109449484
H    0.5708405305   2.2753746224  -0.3199495138
H   -0.6474405930   2.9223545420   0.7692876239
H   -2.9562981732  -2.3996353799  -0.0102856530
H    3.2459036953   2.4338814174   0.1919541736
*