! 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  -0.2120598265  -0.5686607543  -1.4468431165
Cl  -3.9444140066  -2.9284210661  -1.5185040476
Cl   3.3654627125  -3.5830019007   1.1732497450
S   -1.4122050731   3.3052022817   0.1377206475
N    2.2985264195   2.1283421044  -0.5627452391
N   -0.0359881120   1.2331129530   0.9597039725
N    2.9463275214   2.5746867918   0.5164521665
N    4.1487503007   0.9942824057  -0.5332780260
C    0.9789515938   2.5921125921  -0.8815047280
C   -2.6579074561   2.3480702484   1.0533398940
C   -0.0489427086   2.2055843442   0.1571245182
C   -2.9905241906   1.0359626048   0.4089108671
C   -2.7755798306  -0.1554594346   1.0918114131
C   -3.5178689796   0.9819641993  -0.8772403806
C    0.8370883148   0.1591062950   0.9428718971
C   -3.0739806865  -1.3785492890   0.5113620334
C   -3.8190475525  -0.2311742165  -1.4753088954
C    3.0216030304   1.1851968627  -1.1694101142
C    0.8058854306  -0.8039170062  -0.0712916735
C    1.6735949848  -0.0796498847   2.0336957857
C   -3.5890136415  -1.4037280139  -0.7728733075
C    1.5767354075  -1.9532998761  -0.0082583569
C    2.4613841498  -1.2131511762   2.1067743195
C    2.4020150255  -2.1466347974   1.0847554293
C    4.0416950283   1.8619084140   0.4913906551
H    0.6856716253   2.1820782138  -1.8487476016
H    0.9994329986   3.6771575202  -0.9960020009
H   -3.5252221674   3.0109583178   1.0768099746
H   -2.3217131868   2.2150788610   2.0804134890
H   -2.3641729507  -0.1353579371   2.0923358665
H   -3.6938612687   1.8955248585  -1.4320945513
H   -2.8923955817  -2.2961066717   1.0540602505
H   -4.2257308749  -0.2580834452  -2.4770900724
H    2.6971207186   0.6869370998  -2.0698057944
H    1.6998156749   0.6409189498   2.8394899639
H    1.5318162091  -2.6810085462  -0.8066281740
H    3.1059618759  -1.3665907764   2.9611419030
H    4.8060182869   1.9803430359   1.2433925021
*