! 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  -0.2976582787  -1.3623911037   0.9974986856
Cl  -4.6793368823  -2.2872299093   1.0823763078
Cl   3.0706236801  -4.6925820554  -1.5243132593
S   -0.2767704719   2.9163261068  -0.1810126714
N    2.2037080610   2.6912890030   1.2438431769
N    0.4578065273   0.5884202297  -1.1503313273
N    2.9185195985   3.5614015621   0.5239013292
N    2.2870631487   4.4766434037   2.4754692252
C    1.8340214017   1.4053879221   0.7226142907
C   -1.7044907453   2.4169784444  -1.1861675859
C    0.7183955590   1.4818386098  -0.2953957884
C   -2.4487140012   1.2457317683  -0.6166535704
C   -2.9449024814   1.2777361474   0.6826054961
C   -2.6622090801   0.1068163687  -1.3835360749
C    1.1238182881  -0.6300823817  -1.1848689313
C   -3.6332523740   0.1981967203   1.2114458423
C   -3.3549978345  -0.9808299173  -0.8739299499
C    1.8279768545   3.2549309543   2.3936830695
C    0.8369073895  -1.6490267431  -0.2724953295
C    2.0272484857  -0.9100006931  -2.2088694330
C   -3.8293027574  -0.9260815829   0.4249024487
C    1.4296428240  -2.8980453918  -0.3690746774
C    2.6354286835  -2.1475548162  -2.3165782400
C    2.3289934200  -3.1350409745  -1.3938166872
C    2.9411941658   4.6072447805   1.3054836818
H    1.5075809788   0.7848276503   1.5588220271
H    2.7111999907   0.9297263208   0.2850980902
H   -1.3782276968   2.2276598512  -2.2073586119
H   -2.3303971076   3.3113933716  -1.2064446103
H   -2.7884741689   2.1517860976   1.3028298827
H   -2.2801443247   0.0580058320  -2.3946100992
H   -4.0104181098   0.2369820860   2.2241387501
H   -3.5075596459  -1.8616987892  -1.4822996873
H    1.2353817897   2.7378936365   3.1319312294
H    2.2515037475  -0.1405712757  -2.9352615777
H    1.1896708494  -3.6697304813   0.3491488963
H    3.3366733196  -2.3350110662  -3.1176388853
H    3.4603502063   5.5091144603   1.0224595504
*