! 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 "WATER"
end
*xyz 0 1
Cl   1.7446096291  -1.5602238172   2.4127232163
Cl  -8.1271687176   0.6680574863  -1.0420060495
Cl   6.1427639520  -2.2615606358  -0.5823067513
S   -1.5613928193   0.9843398125   0.6236298979
N    2.2122667312   1.9835722778   0.6003481235
N    0.5633603847  -0.3876219691  -0.0922263608
N    3.3877870993   1.6283754640   1.1264600141
N    3.6788232884   2.5873763179  -0.8815492758
C    0.9609787739   1.6913093905   1.2471852393
C   -2.3008052179  -0.4817588858  -0.1587434924
C    0.1475331805   0.6369199643   0.5227622116
C   -3.7567730475  -0.2036396132  -0.3744028939
C   -4.1764277113   0.4854947195  -1.5087754189
C   -4.7074645245  -0.6091149430   0.5556375341
C    1.8995659726  -0.7688327434  -0.1675276340
C   -5.5177207020   0.7572253036  -1.7222188652
C   -6.0548483059  -0.3455578326   0.3576443633
C    2.4024970511   2.5443709731  -0.5959816159
C    2.5587321206  -1.3817809896   0.8980306373
C    2.5875234708  -0.6505373355  -1.3734826519
C   -6.4467385730   0.3367816663  -0.7825430821
C    3.8559574935  -1.8519615102   0.7800744266
C    3.8908805848  -1.0911443865  -1.5060355094
C    4.5151758116  -1.6924443729  -0.4250550363
C    4.2300814843   2.0047675926   0.2016182491
H    0.3848736664   2.6127843924   1.3400396091
H    1.1729910747   1.3491023902   2.2600568415
H   -2.1457524069  -1.3448300803   0.4870253349
H   -1.7861308340  -0.6596293562  -1.1014666190
H   -3.4494484614   0.8112194784  -2.2423070978
H   -4.4010839171  -1.1440015761   1.4457372758
H   -5.8310224543   1.2871865395  -2.6110221999
H   -6.7853408924  -0.6716766856   1.0849192475
H    1.5936753191   2.9100673630  -1.2095803507
H    2.0894543196  -0.1944751494  -2.2185936081
H    4.3426095617  -2.3239025658   1.6221942700
H    4.4066038356  -0.9707167879  -2.4483601069
H    5.2928337404   1.8642375210   0.3186878860
*