! 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   1.4273532129  -1.7943989815   1.8064687415
Cl  -8.1951671584   0.1704815095  -0.1579855025
Cl   6.0749138633  -2.2877888920  -0.8295412901
S   -1.5101872376   1.2073268072   0.3735063073
N    2.3119427500   1.9615043617   0.8591451930
N    0.6184596524  -0.0532689510  -0.5000037407
N    3.3937280748   1.4151878977   1.4216176289
N    3.9745704402   2.7012477838  -0.3243094337
C    0.9779089539   1.6539091524   1.3005280337
C   -2.2213510651  -0.0765546220  -0.6990295993
C    0.1925964329   0.8275681772   0.3031246013
C   -3.7114688730  -0.0151438573  -0.5671558936
C   -4.4623069406   0.8160906191  -1.3917801224
C   -4.3659340478  -0.7770286971   0.3954813814
C    1.9276874363  -0.5217296059  -0.5265635778
C   -5.8421245997   0.8805317551  -1.2718433708
C   -5.7446890231  -0.7269315145   0.5273625661
C    2.6740106876   2.7189735863  -0.1778427227
C    2.4189390566  -1.3896615235   0.4493991144
C    2.7529390392  -0.2326991800  -1.6114302360
C   -6.4708688887   0.1043188037  -0.3112559236
C    3.6850837208  -1.9428842442   0.3629462426
C    4.0290036855  -0.7562353401  -1.7060491661
C    4.4846742317  -1.6112052978  -0.7155514745
C    4.3584237594   1.8847658730   0.6767334202
H    0.4489434582   2.5844193400   1.5106320443
H    1.0467435601   1.1117799920   2.2437199060
H   -1.8300179586  -1.0426602251  -0.3824470532
H   -1.9018764879   0.1020230998  -1.7244784318
H   -3.9703639260   1.4192383228  -2.1448109206
H   -3.7979208671  -1.4268408235   1.0495852407
H   -6.4144550690   1.5266739476  -1.9228979500
H   -6.2414727022  -1.3311256441   1.2739466662
H    1.9652502184   3.2596619105  -0.7857882619
H    2.3855251522   0.4230885549  -2.3893697805
H    4.0388857757  -2.6128716122   1.1338543317
H    4.6535218785  -0.5016257180  -2.5509444257
H    5.3890802434   1.6324650841   0.8693333424
*