! 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   2.9106424399   0.0839319857  -3.5506715380
S    1.1018551327   1.4226328383  -0.8223380074
O    1.2171599951   2.3963748000   0.2496823941
O    0.8618298957   1.8625596184  -2.1764625584
O    0.0559425184  -1.0711572395  -1.9873699659
O   -3.1228694374   1.8301681826   2.5724813759
O   -6.0098516679  -1.4586662062   1.0267104736
N    3.1323531699  -0.0552977021   0.2909526908
N    4.2366371426  -0.8525474606  -1.4852380860
N   -0.1325727313   0.4380918492  -0.3029332877
N   -1.8019461072  -1.1315365729  -0.7032712787
N   -2.4355421408   0.3650135677   0.9573313008
N   -3.8985772815  -1.3066197005   0.1613561283
C    2.4960902127   0.4197164853  -0.8428885855
C    4.1874587911  -0.8177143829  -0.1539669018
C    3.2160048110  -0.1163140631  -1.8960714602
C    2.8734473729   0.1178103949   1.6178851265
C    5.0367577418  -1.4279941872   0.7776945860
C    3.6876854499  -0.4760446645   2.5281213744
C    4.7862378400  -1.2553985746   2.1087966770
C   -0.5840757966  -0.6112073282  -1.0661606825
C   -2.7481009034  -0.6602057024   0.1836003086
C   -3.3810181821   0.7999558712   1.7852104052
C   -4.8293387644  -0.8646965560   0.9963046671
C   -4.6313805072   0.2115231752   1.8535150637
C   -1.8382966222   2.4458771085   2.5056704794
C   -6.2597065158  -2.5565080356   0.1510818589
H    2.0312342636   0.7270111011   1.8996495618
H    5.8667498652  -2.0178470971   0.4171570241
H   -0.7651490986   0.7962396206   0.4286297209
H    3.4786868157  -0.3352841810   3.5777676480
H    5.4282455205  -1.7157166775   2.8461815947
H   -2.0941717526  -1.9238688158  -1.2602482978
H   -5.3998522000   0.5644813898   2.5254638123
H   -1.8586981999   3.2480055285   3.2379108256
H   -1.6474970713   2.8738078827   1.5207268335
H   -1.0427394303   1.7483684385   2.7703252945
H   -5.5948780151  -3.3950052938   0.3562204749
H   -6.1655751903  -2.2677186723  -0.8952709849
H   -7.2849276976  -2.8577839627   0.3472124796
*