! 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  -1.5388688319   1.6213888989   2.0411018856
Cl   8.1988397917  -0.2917452558  -0.3902768352
Cl  -6.0667508710   2.3747502725  -0.7347353709
S    1.5204093139  -1.1920870602   0.3678629938
N   -2.2932105687  -1.9737661823   0.8530882207
N   -0.6246313464   0.1088148714  -0.4034076716
N   -2.5316662703  -2.6289902836  -0.2854713117
N   -4.4547133821  -1.9691239065   0.6674547550
C   -0.9524942990  -1.7100898078   1.2903668772
C    2.2171530586   0.1457010568  -0.6485924011
C   -0.1858260806  -0.8181177197   0.3372748844
C    3.7097504424   0.0392533092  -0.5876208968
C    4.4266124587   0.7186480458   0.3921385009
C    4.4006240788  -0.7543529952  -1.4975751691
C   -1.9342714645   0.5707220099  -0.4226054788
C    5.8076170139   0.6237984101   0.4592562571
C    5.7815873181  -0.8624014982  -1.4438728776
C   -3.4441359639  -1.5804117293   1.4013995965
C   -2.4688139287   1.3468024651   0.6079585304
C   -2.7176955877   0.3841969105  -1.5611484074
C    6.4727284417  -0.1685903189  -0.4632274463
C   -3.7329726822   1.9065258493   0.5226325229
C   -3.9865691961   0.9221492570  -1.6611964144
C   -4.4848160524   1.6835156319  -0.6162612578
C   -3.8361320658  -2.5935070303  -0.3533864524
H   -0.4275686799  -2.6572399440   1.4208845409
H   -0.9905487947  -1.2372961794   2.2726348661
H    1.8668329685   1.0986949705  -0.2544269371
H    1.8499111201   0.0395251739  -1.6680728985
H    3.9060802073   1.3383830709   1.1115528824
H    3.8599333182  -1.2923526273  -2.2662013921
H    6.3534605492   1.1630249246   1.2210008923
H    6.3073840719  -1.4778050776  -2.1606992361
H   -3.4967479357  -1.0392124197   2.3330509164
H   -2.3180449159  -0.1953035022  -2.3818087765
H   -4.1202234852   2.5013927492   1.3379706587
H   -4.5749048769   0.7503834422  -2.5515299580
H   -4.3696065931  -3.0492782458  -1.1724314407
*