! 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  -0.5199864391  -0.5846420107   2.5535283751
Cl   2.0665933381  -4.0719946900  -0.5325345885
O   -1.7389982065   1.3693205545   0.7172205308
O   -0.7283917976   1.9281169973  -1.1810445954
N    1.7916818802   2.2159157181   0.3809772515
N    2.6800831745   1.4082915173   0.9640241880
N    3.5700978369   2.3713548604  -0.8500733471
C   -0.5010190548   1.3707571945   0.0781560727
C   -2.7693262824   1.2970930864  -0.2674163538
C   -2.0071338522   1.4703984349  -1.5883542164
C   -3.5504232903   0.0003817986  -0.1728817604
C    0.4359050278   2.2989669505   0.8588106442
C    0.0920001324  -0.0326135227  -0.0544044193
C   -4.7286065334  -0.0271977215  -1.1403652908
C    0.1385895071  -0.9475987364   0.9944658012
C    0.6933494484  -0.4095124860  -1.2515767744
C   -5.5188632955  -1.3234288494  -1.0556475533
C    0.7363615293  -2.1912177013   0.8554105990
C    1.3008827723  -1.6417054116  -1.4190982455
C    2.3332061518   2.7798318507  -0.7023418173
C    1.3136369974  -2.5263711474  -0.3562835281
C    3.7299722841   1.5355038647   0.1955374195
H   -3.4426717468   2.1428656078  -0.0936647254
H   -1.9299867933   0.5249026729  -2.1392736615
H   -2.4473267668   2.2168836964  -2.2483336099
H   -3.9187469926  -0.1205993976   0.8500838101
H   -2.8839795801  -0.8463775006  -0.3708942814
H    0.4397434681   2.0366425163   1.9143081369
H    0.0801265207   3.3257010077   0.7674986576
H   -4.3773936521   0.1109648085  -2.1681652470
H   -5.3899324475   0.8188827109  -0.9300361412
H    0.6971234203   0.2767078682  -2.0869683991
H   -5.9073525112  -1.4875697058  -0.0486497087
H   -6.3697070549  -1.3154726504  -1.7381360617
H   -4.8994161603  -2.1845239670  -1.3131354256
H    0.7553616679  -2.8831865287   1.6859275730
H    1.7581364232  -1.8978169433  -2.3646366066
H    1.8019893830   3.4735273584  -1.3348250502
H    4.6495190820   1.0086097730   0.3975491464
*