! 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   0.2399377133  -1.0825904665   1.8669373119
Cl  -4.0112123446  -2.4491249072   1.7283105338
Cl   1.0454969907  -4.1707640366  -2.4440793140
S   -0.4332792764   2.7447474238  -1.4545334020
N    2.2285029422   3.2813388935   1.3871462976
N    1.1460456771   1.1125679254   0.1594728283
N    3.3818013489   3.7094232750   0.8626036490
N    3.7504617296   2.5530701649   2.7535693491
C    0.9856165066   3.4305331716   0.6900160793
C   -1.3194815379   1.3081047875  -2.1110237704
C    0.6613859942   2.2259026438  -0.1755866716
C   -1.9773901189   0.4027006115  -1.1109804762
C   -2.1091697720  -0.9446892895  -1.4307261194
C   -2.4976294091   0.8569599004   0.0954569966
C    1.0639545346  -0.0955004138  -0.5023311284
C   -2.7378634094  -1.8275791303  -0.5687290147
C   -3.1305967693  -0.0130935329   0.9694403850
C    2.4669674394   2.5802125418   2.4946299280
C    0.7105664508  -1.2400486077   0.2174397326
C    1.4535520642  -0.2556910106  -1.8309717792
C   -3.2406531209  -1.3510693810   0.6305401820
C    0.6982374933  -2.4920060504  -0.3684480337
C    1.4580640722  -1.5023568075  -2.4331153278
C    1.0701969037  -2.6101407837  -1.6975633584
C    4.2553267221   3.2571458158   1.7219578311
H    1.0299421720   4.3464585164   0.1020612055
H    0.1806119566   3.5593865754   1.4148007721
H   -0.6740425358   0.7436693148  -2.7814737231
H   -2.0759461175   1.7842512223  -2.7409919108
H   -1.7054466966  -1.3198542394  -2.3630576437
H   -2.4128539598   1.9003232905   0.3722378830
H   -2.8210801603  -2.8740146312  -0.8280596059
H   -3.5242115862   0.3531412503   1.9076825687
H    1.6847096560   2.1226823353   3.0797977783
H    1.7767067095   0.6081240442  -2.3980833659
H    0.3956231878  -3.3581347360   0.2032100691
H    1.7647179291  -1.6016448976  -3.4647948123
H    5.3102024130   3.4491434191   1.6018466058
*