! 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   0.0577581385  -1.1407341103   0.9975625346
Cl  -4.2902194006  -2.1264871446   1.8004479728
Cl   3.0277266320  -4.6389484210  -1.7920279367
S   -0.2919767229   3.0124276836  -0.5985538168
N    2.0206719691   2.5587044046   1.1328738064
N    0.3450768206   0.6042222997  -1.4136232408
N    2.4099208967   3.8335701732   1.0600515210
N    1.6106540859   3.3690360043   3.0989602990
C    2.0559975898   1.6943321714  -0.0139382576
C   -1.8310822252   2.3805342615  -1.3280775985
C    0.7251401787   1.5934714890  -0.7299049364
C   -2.4462201127   1.2600725663  -0.5423075293
C   -2.6980846455   0.0336213561  -1.1455969076
C   -2.7816243593   1.4239508121   0.7976528517
C    1.0328004842  -0.5990232568  -1.4660824435
C   -3.2722205114  -1.0103899300  -0.4370723931
C   -3.3504535248   0.3899221402   1.5237089578
C    1.5392652313   2.2966303605   2.3515440693
C    0.9466505587  -1.5338241016  -0.4303638673
C    1.7487174867  -0.9552295808  -2.6075131416
C   -3.5885454814  -0.8234629263   0.8973995012
C    1.5554937447  -2.7754350464  -0.5227434320
C    2.3674229796  -2.1875617032  -2.7148111767
C    2.2655591517  -3.0911677341  -1.6685458304
C    2.1482412601   4.2786176853   2.2613517573
H    2.3970899070   0.7061602691   0.2918726479
H    2.7985287082   2.0855584909  -0.7107406155
H   -1.6452120755   2.0904178303  -2.3611597959
H   -2.4855179328   3.2543969325  -1.3486879885
H   -2.4358276120  -0.1194168182  -2.1843866012
H   -2.5923342075   2.3673261188   1.2956159796
H   -3.4544482927  -1.9600741640  -0.9217958937
H   -3.6036499680   0.5328851170   2.5655679111
H    1.1607512829   1.3281880597   2.6400165644
H    1.8130479548  -0.2496980488  -3.4254662322
H    1.4750309149  -3.4815120873   0.2924199106
H    2.9204717017  -2.4362482626  -3.6101432299
H    2.3603193706   5.2967387060   2.5487954123
*