! 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   0.8759793608  -0.9838895222  -2.1696314458
Cl   5.6957596699  -0.4222760679   0.0305369718
O   -1.0114152513  -0.6871736998   0.0420052227
O   -0.6366745345   0.7520815949   1.7064669892
N   -2.0704254978   1.9167422921  -0.4506029376
N   -2.9010811631   1.4414134304  -1.3811027746
N   -4.0377834573   2.5860264751   0.1703554721
C   -0.2814049256   0.4451354400   0.3936946284
C   -1.5476536320  -1.3055276257   1.2095986221
C   -0.9411166649  -0.4780933432   2.3408578057
C   -3.0661879604  -1.2755005506   1.1796985840
C   -0.6597160230   1.6416204982  -0.4860943317
C    1.2233202535   0.1938208066   0.2766958619
C   -3.6873517032  -1.9024237514  -0.0637978361
C    1.8114783495  -0.4342909981  -0.8202198428
C    2.0733670463   0.6435147003   1.2829061073
C   -3.3926291831  -3.3879406073  -0.2209922228
C    3.1823795173  -0.6296035552  -0.9024308850
C    3.4448395254   0.4612541126   1.2273745218
C   -2.7618664472   2.5926627193   0.4712182450
C    3.9875168400  -0.1815040253   0.1295128401
C   -4.0673786976   1.8676119840  -0.9705523899
H   -1.1881906561  -2.3374215183   1.2546635085
H   -1.6333072828  -0.2856216147   3.1605464040
H   -0.0396747662  -0.9458537659   2.7508849180
H   -3.4092403562  -0.2406665070   1.2796108103
H   -3.4217287702  -1.8024675065   2.0714276077
H   -0.3795725289   1.4631139451  -1.5212166366
H   -0.1163100242   2.5224356405  -0.1449546316
H   -3.3506287114  -1.3596578311  -0.9489265236
H   -4.7689945713  -1.7552616283  -0.0136351546
H    1.6585255022   1.1534408201   2.1414791537
H   -2.3337556688  -3.5821646855  -0.4032398642
H   -3.6819515417  -3.9507219389   0.6703128447
H   -3.9427893773  -3.8086179005  -1.0645354609
H    3.6110902789  -1.1237210170  -1.7633805370
H    4.0733814050   0.8198210772   2.0306598780
H   -2.3015693947   3.0722882955   1.3202044102
H   -4.9742380159   1.6593056508  -1.5175041487
*