! 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 4
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl  -4.8868692077  -0.3142963553   1.5525350778
S   -2.0264324918  -1.5258383823  -0.2162978274
O   -1.8247513145  -1.8256615538  -1.6177164850
O   -2.8333565667  -2.3982274421   0.6012299259
O   -1.1005263722  -0.7240815809   2.4661870423
O    3.0860780033  -1.8935890671  -2.0498648946
O    5.6243498290  -0.3767100195   1.5278531100
N   -2.0710349280   1.1802508143  -0.5781933876
N   -0.9484362561   1.1942866478  -1.2872150056
N   -3.8649522198   1.8884186726   0.5288377039
N   -0.4892809496  -1.4181554218   0.3918317291
N    1.1004143355  -0.7793472401   1.9570271449
N    2.0785946288  -1.3570759618  -0.0701571043
N    3.3578767544  -0.5767206201   1.7523502854
C   -2.6631672389   0.0711267759  -0.0306469076
C   -0.5453715086   2.3697627572  -1.6839153537
C    0.7340377727   2.4466174445  -2.4528661957
C   -2.8288615058   2.2567932914  -0.2157825748
C    1.8523308589   3.1239223316  -1.6535991483
C   -1.2636389195   3.5651551844  -1.3939074263
C   -2.4059421295   3.5183107948  -0.6613912614
C   -3.7575416291   0.5688181157   0.6502891364
C    2.3030565516   2.3163985140  -0.4477340791
C   -0.2282590082  -0.9626878751   1.6579215734
C    2.2235845536  -0.9124768341   1.1664628557
C    3.1829303433  -1.4666513565  -0.8021531969
C    4.4510605449  -0.6969642174   1.0110330400
C    4.4332083436  -1.1462708645  -0.3047352772
C    1.7936981111  -2.1732841590  -2.5832641386
C    5.6865991168   0.0975436814   2.8712735719
H    1.0414557567   1.4424983514  -2.7491137870
H    0.5525131040   3.0142499790  -3.3684866343
H    1.5311194642   4.1203297005  -1.3391144628
H    2.6983149836   3.2789720737  -2.3253596687
H   -0.8868931754   4.5075340257  -1.7661150835
H   -2.9810546191   4.3988880934  -0.4147694548
H    2.6945817498   1.3476723405  -0.7599469505
H    3.0966880380   2.8310746258   0.0942842867
H    1.4897233161   2.1405046181   0.2580577379
H    1.2716325929  -0.4398359298   2.8946370333
H    5.3316340481  -1.2350125005  -0.8974841496
H    1.2958813330  -2.9752920958  -2.0385065094
H    1.9605178098  -2.4953001635  -3.6070991613
H    1.1633667558  -1.2834170228  -2.5949334709
H    6.7385157067   0.2861615934   3.0653856288
H    5.3198669547  -0.6449510768   3.5790117953
H    5.1276312175   1.0241837157   2.9973041463
H    0.3093858355  -1.5115044913  -0.2533343887
*