! 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   0.8139115579  -0.1070138768  -2.4417557100
Cl   4.1425282620  -3.6790398133  -0.3082266856
O   -1.3401391767   0.2052265315  -0.4675897241
O   -0.9212484561   0.1332961030   1.7151491924
N   -0.7607593378   2.7370033177   0.6605170898
N   -1.0325216350   3.1892696556   1.8862794956
N   -2.4451450798   4.0761501629   0.3925718951
C   -0.3232752223   0.3278563448   0.4737186328
C   -2.3848539992  -0.6045848489   0.0651054005
C   -1.9656625696  -0.8050150400   1.5274575560
C    0.2537326032   1.7453364247   0.4303690392
C    0.7949161526  -0.6884219720   0.2339586972
C   -3.7193858302   0.0951795353  -0.1017697432
C   -4.0765044861   0.3865806422  -1.5500653044
C    1.3488698075  -0.9401752349  -1.0203170745
C    1.3318605962  -1.3803219689   1.3157512868
C    2.3767168071  -1.8553758305  -1.1954682891
C    2.3540584059  -2.3023323229   1.1700222947
C   -1.6148449541   3.2669027391  -0.2186903786
C    2.8664392051  -2.5341741979  -0.0938216243
C   -2.0436075934   3.9911306551   1.6771022169
H   -2.4016666283  -1.5632300435  -0.4649818981
H   -2.7623524402  -0.5780156128   2.2368373659
H   -1.6207537975  -1.8268901128   1.7142142094
H    0.7181255613   1.9329198868  -0.5363018155
H    1.0243243897   1.8581837859   1.1914772028
H   -3.7182918716   1.0202025255   0.4833635587
H   -4.4852182285  -0.5485687319   0.3403820456
H   -3.3395307348   1.0306469528  -2.0302219663
H   -4.1457671627  -0.5318580421  -2.1366520803
H   -5.0417580007   0.8896962926  -1.6164451159
H    0.9450879640  -1.1978184269   2.3087706394
H    2.7873201703  -2.0315191796  -2.1799905161
H    2.7414676252  -2.8247473470   2.0334822150
H   -1.5853518848   3.0470636140  -1.2739914570
H   -2.5093172852   4.5408082929   2.4804807789
*