! 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  -1.9431261410   0.6027838005   3.3989713977
Cl   3.4851937288   1.1482514862  -3.7668531236
Cl  -2.7607690139   4.9426170234   0.3412783305
S    0.7402015560  -2.6553327248   1.3452275611
N   -1.7450296291  -2.5653976938  -0.3359776719
N    0.1409054647  -0.1003863435   1.3296894298
N   -2.1384658416  -3.8274654417  -0.1599312217
N   -1.4248885002  -3.5105333676  -2.2582758375
C   -1.7255817237  -1.6183518282   0.7477594349
C    2.3706759568  -1.8528722148   1.3236256916
C   -0.3099118290  -1.2650258356   1.1529248294
C    2.6481284605  -1.1131648494   0.0473335739
C    2.5120380078  -1.7338189411  -1.1911424155
C    3.0542010314   0.2157030819   0.0848260797
C   -0.5991211114   1.0522577194   1.0995762604
C    2.7678283474  -1.0462949688  -2.3667974194
C    3.3228610849   0.9173194507  -1.0814618652
C   -1.3146874584  -2.3908955201  -1.5886408693
C   -1.5641318308   1.5264287592   1.9882656904
C   -0.3174860873   1.8210709848  -0.0291257698
C    3.1705575141   0.2788147069  -2.3007852854
C   -2.2302752453   2.7218052447   1.7669849547
C   -0.9793120164   3.0093615282  -0.2745808100
C   -1.9318038313   3.4524858480   0.6302897207
C   -1.9343182093  -4.3548135135  -1.3389571003
H   -2.2534992163  -2.0666834545   1.5895478517
H   -2.2719724569  -0.7210626921   0.4573832239
H    3.0685580336  -2.6825527834   1.4577931176
H    2.4691693793  -1.2023660248   2.1913203946
H    2.1940254753  -2.7675859896  -1.2500788754
H    3.1563560563   0.7220655608   1.0360871774
H    2.6559335127  -1.5415811272  -3.3218250951
H    3.6343092499   1.9520714324  -1.0334954708
H   -0.9403754886  -1.4489165640  -1.9594652093
H    0.4387356087   1.4717060500  -0.7203422832
H   -2.9752922386   3.0680584970   2.4701767567
H   -0.7491931992   3.5819551628  -1.1623311940
H   -2.1636980072  -5.3880604321  -1.5474496616
*