! 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  -2.3226834984  -1.5350514789  -2.4563801592
Cl   4.7904008139   2.6924502340   1.9387981849
Cl  -4.2125441787   3.2344927096  -0.8776458236
S    1.5839598270  -2.9279449156  -0.4863462944
N   -1.6687170190  -1.7258535982   1.3599016500
N    0.0971765699  -0.7955878152  -0.8129875200
N   -2.9598292501  -1.4961755229   1.1116834844
N   -2.2553556080  -0.2482239521   2.8319728163
C   -0.8927072233  -2.6360394561   0.5617383586
C    2.6695258375  -1.8151654453  -1.4265809881
C    0.1539564755  -1.9351739541  -0.2821203164
C    3.2037543553  -0.6873466782  -0.5954055052
C    4.0565838118  -0.9409289461   0.4755715297
C    2.8625753824   0.6306879153  -0.8767791628
C   -0.9678739598   0.0911903995  -0.7752536606
C    4.5513008143   0.0903492085   1.2569169723
C    3.3501626497   1.6767096627  -0.1064458567
C   -1.2606838244  -0.9736999539   2.3873725855
C   -2.1244913899  -0.0865248984  -1.5353259139
C   -0.8395977635   1.2809962048  -0.0588117555
C    4.1874646202   1.3952422133   0.9598012616
C   -3.1213719988   0.8737768302  -1.5788696201
C   -1.8322586238   2.2423324988  -0.0718066691
C   -2.9678770417   2.0315114322  -0.8377588024
C   -3.2695907538  -0.6044364729   2.0161117167
H   -1.5778783060  -3.1802173575  -0.0887888549
H   -0.4185727385  -3.3713149632   1.2133538706
H    2.1319542363  -1.4567707826  -2.3035054445
H    3.4751386906  -2.4632632003  -1.7768396492
H    4.3406732430  -1.9587914325   0.7151511478
H    2.2029791005   0.8526408070  -1.7049457274
H    5.2109893687  -0.1244129258   2.0867334607
H    3.0712756311   2.6959406875  -0.3375322725
H   -0.2508421752  -0.9929008569   2.7680161186
H    0.0593893757   1.4464931216   0.5204885680
H   -4.0067323683   0.7108318484  -2.1778037372
H   -1.7112963082   3.1490024629   0.5047552951
H   -4.2651652597  -0.1966594014   2.0945843775
*