! 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   0.9947249149  -0.4999692098  -2.2942238265
Cl   5.7383377344  -0.4606271787   0.1303606507
O   -0.9648110362  -0.6117880208  -0.0933397381
O   -0.6134670144   0.5410904500   1.7924850253
N   -2.0226846083   1.9273421953  -0.3578248164
N   -2.7543572070   2.3564114714   0.6722507280
N   -4.0687309433   1.8697537043  -1.0743804328
C   -0.2363903926   0.4386782431   0.4453302601
C   -1.2064862305  -1.5352882920   0.9605122925
C   -1.3685383594  -0.6040006476   2.1552140014
C   -2.3880459713  -2.4284921238   0.6381854072
C   -0.6005454665   1.7467134114  -0.2683331882
C    1.2699546359   0.1956970442   0.3412880060
C   -3.6679181432  -1.7166187769   0.2144767015
C    1.8896797548  -0.2223664847  -0.8364250710
C    2.0874078672   0.4158395013   1.4454690063
C   -4.8139501527  -2.6961163518   0.0072280130
C    3.2590976180  -0.4282662841  -0.9093884506
C    3.4577392402   0.2212122916   1.4001864434
C   -2.8188101043   1.6335521618  -1.3882885707
C    4.0319621444  -0.2052970980   0.2166935030
C   -3.9728696713   2.3056517414   0.1973787243
H   -0.3192940075  -2.1661189242   1.1081157705
H   -2.4091039383  -0.3154130813   2.3305802997
H   -0.9707462158  -1.0404304581   3.0730026778
H   -2.5768048765  -3.0381747611   1.5280576640
H   -2.0896826917  -3.1321641461  -0.1441888416
H   -0.1972549921   1.7641486750  -1.2787248515
H   -0.1642813299   2.5861067103   0.2716062651
H   -3.4951581297  -1.1625320701  -0.7093104757
H   -3.9624999867  -0.9775818086   0.9634352230
H    1.6455259213   0.7480542148   2.3738338761
H   -4.5705060466  -3.4413283833  -0.7530334650
H   -5.0540509260  -3.2324147569   0.9276916429
H   -5.7195286690  -2.1819703573  -0.3180404069
H    3.7122163483  -0.7588739547  -1.8338044264
H    4.0613360915   0.4009644987   2.2789384393
H   -2.4468286276   1.2649524643  -2.3314946115
H   -4.8259199239   2.6039211932   0.7873174819
*