! 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  -0.4527811849  -0.9529236583  -2.1272271632
Cl   4.0814433954  -2.0581904518   0.4749875740
O   -0.7514113047   2.5277097974   0.4912563181
N   -2.4010861627  -0.7095358338   0.6929041064
N   -3.4396708949  -2.4095151127  -0.2486930742
C   -0.9694642652   1.2106276978   0.0612126680
C   -2.0498641416   0.6558513838   0.9963304839
C    0.2949216625   0.3816496607   0.1216202873
C    0.6095997609  -0.6070559816  -0.8040800593
C    1.1886088483   0.5813893864   1.1712383067
C   -1.7658724318  -1.8410530232   1.1267302611
C   -3.3921315363  -1.1100528886  -0.1344877137
C   -0.0033210278   3.3187078373  -0.4158429395
C    1.7695401963  -1.3625746283  -0.7088237574
C    2.3504326391  -0.1581730350   1.2976258889
C    2.6311790576  -1.1263476486   0.3467517402
C   -2.4240064348  -2.8781421594   0.5349468588
C    0.1589585624   4.6784830208   0.1737235559
C   -0.1840529644   5.7979486185  -0.4480993290
H   -1.3636546172   1.2076320600  -0.9632181399
H   -1.7133764941   0.7137265516   2.0324994944
H   -2.9461396310   1.2698838508   0.9058637631
H    0.9760812964   1.3419766064   1.9118007354
H   -0.9327689247  -1.8125307221   1.8090047199
H   -4.0518526555  -0.4035816280  -0.6153977780
H    0.9860811192   2.8749138085  -0.5900605249
H   -0.5080963881   3.3744160610  -1.3887902174
H    1.9923552331  -2.1201567043  -1.4471883498
H    3.0251921882   0.0230010242   2.1226296971
H   -2.2222204919  -3.9329967726   0.6391546887
H    0.6154926154   4.7252693796   1.1576481231
H   -0.0123768223   6.7681393749  -0.0001730827
H   -0.6355281522   5.7912268355  -1.4330327896
*