! 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  -4.9230700678  -0.3036098517   1.5487680440
S   -2.0508074788  -1.5570038400  -0.1796862658
O   -1.8540218906  -1.8586518396  -1.5824843119
O   -2.8676504889  -2.4219164662   0.6367907087
O   -1.1180460999  -0.7463981013   2.4945842106
O    3.0469208155  -1.7868699897  -2.0749421346
O    5.5950928880  -0.3259843000   1.5199702575
N   -2.0490141258   1.1464078009  -0.5343732348
N   -0.9154350251   1.1391480154  -1.2257181497
N   -3.8507554423   1.8839401776   0.5392293792
N   -0.5117055406  -1.4633236425   0.4263902692
N    1.0789671917  -0.7716961489   1.9679540566
N    2.0466687839  -1.3039471288  -0.0772985172
N    3.3319933402  -0.5488029616   1.7520988264
C   -2.6663846430   0.0476907294   0.0058262106
C   -0.4914411558   2.3051000108  -1.6278674939
C    0.7877813076   2.3503282693  -2.4000339445
C   -2.7970159110   2.2348410254  -0.1889670807
C    1.8990266762   3.1024965544  -1.6626248123
C   -1.1977989150   3.5120899607  -1.3569776410
C   -2.3494527584   3.4869254267  -0.6377922686
C   -3.7652402322   0.5630323151   0.6656394188
C    2.3686344553   2.3996344485  -0.3997537865
C   -0.2481084261  -0.9823099321   1.6829793170
C    2.1968272536  -0.8831151552   1.1671935992
C    3.1473947964  -1.3880345065  -0.8184816788
C    4.4215578034  -0.6438092399   1.0021119466
C    4.3983517953  -1.0661692204  -0.3225305498
C    1.7544175694  -2.0697590873  -2.6080120419
C    5.6588100587   0.1213646095   2.8729186119
H    1.1094427112   1.3318383749  -2.6245596315
H    0.5916724926   2.8448445768  -3.3546414864
H    1.5671825898   4.1166817511  -1.4256737857
H    2.7393410867   3.2153827006  -2.3498382821
H   -0.8067008683   4.4466346946  -1.7336944582
H   -2.9152489117   4.3777320903  -0.4069552310
H    3.1488391922   2.9741019251   0.0998115414
H    1.5602721348   2.2551851818   0.3190688034
H    2.7874324793   1.4213999901  -0.6380443101
H    1.2539272943  -0.4333538866   2.9052027767
H    5.2930372545  -1.1343296262  -0.9236375390
H    1.1137525071  -1.1867749890  -2.5982504947
H    1.2680754454  -2.8881051095  -2.0769032476
H    1.9211499745  -2.3698940389  -3.6385302699
H    5.3013193075  -0.6386425789   3.5666915598
H    5.0922182393   1.0402779616   3.0199205414
H    6.7098627558   0.3153597278   3.0668381709
H    0.2814321356  -1.5307170173  -0.2292114565
*