! 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   0.3261794360   1.2578989477   1.1543854882
Cl   4.6718322952   2.2388522420   1.0072232485
Cl  -2.8267993903   4.8327592658  -1.3061716089
S    0.2261800012  -2.9383947112  -0.1888016403
N   -2.3276787789  -2.7178049713   1.1536606730
N   -0.4684422707  -0.5730772740  -1.0871270381
N   -1.9389452085  -3.3280745618   2.2778451248
N   -3.2504204260  -4.6806500505   1.0555105023
C   -1.8443537570  -1.4149000816   0.7790211721
C    1.6431474597  -2.4513457183  -1.2186974400
C   -0.7384942801  -1.4798093563  -0.2497402957
C    2.4085624996  -1.2871785402  -0.6632026272
C    2.9737938520  -1.3441658467   0.6064892100
C    2.5673907471  -0.1267538137  -1.4115041442
C   -1.0805379459   0.6719399696  -1.0825654988
C    3.6748628681  -0.2677776327   1.1258343813
C    3.2692357233   0.9587994879  -0.9107658444
C   -3.0964257167  -3.5388047511   0.4357740240
C   -0.7660505181   1.6419369239  -0.1263000927
C   -1.9468087132   1.0330555322  -2.1137823220
C    3.8113282485   0.8792104383   0.3600832381
C   -1.2970729334   2.9207582431  -0.1884013761
C   -2.4945570744   2.3007617677  -2.1861208818
C   -2.1622086646   3.2380167117  -1.2206118175
C   -2.5202104672  -4.4927138596   2.1712988954
H   -1.4745216455  -0.9249916422   1.6796697268
H   -2.6747427398  -0.8214043577   0.3964335857
H    1.3027147774  -2.2600274866  -2.2346434776
H    2.2586230180  -3.3525395169  -1.2473399897
H    2.8634702647  -2.2359445620   1.2112425974
H    2.1326206144  -0.0589504025  -2.3997954421
H    4.1067529364  -0.3263736736   2.1154572993
H    3.3762945016   1.8568529726  -1.5035871469
H   -3.5228798382  -3.2587921136  -0.5147691888
H   -2.1904327034   0.3019273032  -2.8726894832
H   -1.0341822421   3.6547327135   0.5606700424
H   -3.1677065270   2.5509040887  -2.9939774400
H   -2.4184783709  -5.2426679909   2.9395067551
*