! 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   3.3236839047   1.6629228476  -2.7178203667
S    0.8269664141  -0.6141621396  -1.6813701374
O    0.7006899708   0.1447934901  -2.9031570764
O    0.5418122640  -2.0381787097  -1.6796902600
O    0.6607674990   2.0784521991  -0.4799502276
O   -5.4594443763   1.8488429319   2.4431021284
O   -3.9790817140  -2.0359890908   0.3778488121
N    2.9220366540  -0.9733858162   0.0586575940
N    4.4511692150   0.5007985863  -0.6482832289
N   -0.2006554369  -0.0236747741  -0.5128461765
N   -1.2993038802   1.7078199060   0.5800520302
N   -3.3657957046   1.7797241429   1.5270991498
N   -2.6153741719  -0.2049343734   0.4943496097
C    2.4012691304  -0.3325791976  -1.0515679644
C    4.1717064316  -0.4332045590   0.2599714672
C    3.3827582262   0.5668462813  -1.4270001940
C    2.4110480167  -1.9397440274   0.8729351997
C    4.9568847064  -0.8939944258   1.3239456925
C    3.1624855960  -2.3851124122   1.9126810338
C    4.4521931813  -1.8624200134   2.1432757340
C   -0.2226786536   1.3068933193  -0.1735456860
C   -2.4761253274   1.0524702755   0.8778973274
C   -4.5179841294   1.1819454615   1.7973564048
C   -3.7809650438  -0.7864174014   0.7613117908
C   -4.7997056476  -0.1277997146   1.4264184498
C   -5.2096810250   3.1961294009   2.8382482026
C   -2.9429332438  -2.7142116306  -0.3293611827
H    1.4276597522  -2.3229864277   0.6575249853
H    5.9385833634  -0.4675203383   1.4684373750
H   -1.0412540002  -0.5766727675  -0.2808764536
H    2.7537220485  -3.1497736934   2.5554513808
H    5.0387090970  -2.2324323932   2.9718410185
H   -1.2633918291   2.6760487512   0.8699683010
H   -5.7471577738  -0.5982888525   1.6426255610
H   -5.0179044300   3.8392331776   1.9802854210
H   -4.3744477768   3.2634024549   3.5342986902
H   -6.1165823736   3.5271108782   3.3363780886
H   -3.3414728522  -3.6975383760  -0.5619484260
H   -2.0492706818  -2.8327435953   0.2836882315
H   -2.6927545009  -2.2079979371  -1.2618375197
*