! 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  -3.3854447046   0.6365327700   2.0469013759
S    1.2772469028  -2.1544726982   0.6154548767
O    1.2458609002   0.9841670234   1.3062462780
O    1.3400613292  -3.5199155677   0.1404578609
O    0.9885761675  -1.8954942799   2.0149398158
O    2.7446821969   0.7838804156   2.9683913134
O    0.9005888194  -1.7193571921  -2.2741936126
O   -4.3942985764   2.5087442059  -2.4706899899
N    0.0712720324  -1.3459187993  -0.1974184724
N   -0.9366289302  -0.4268065228  -2.0794642938
N   -2.6636422432   1.0349829246  -2.2759883915
N   -2.1450429168   0.1111967523  -0.1652739940
C    2.7961656104  -1.3458368459   0.1893289195
C    3.1992054496  -0.1849569175   0.8518087393
C    3.6312547360  -1.9774659878  -0.7200015933
C    4.4605855050   0.3285024007   0.5849791005
C    4.8765959445  -1.4343240078  -0.9947240034
C    5.2899632331  -0.2847494949  -0.3427120129
C    2.3674246625   0.5579664040   1.8469704368
C    0.0676039121  -1.2075129622  -1.5562990145
C    0.2876598842   1.7094409593   2.1040265702
C   -1.9532949923   0.2644354648  -1.4648583509
C   -0.2980570946   2.8147663285   1.2630040438
C   -3.6491212821   1.7190289328  -1.7311572298
C   -3.9483641651   1.6510151472  -0.3611361361
C   -3.1388842879   0.8170086526   0.3566534108
C   -4.1130407971   2.6233569152  -3.8673022889
H    3.3281710593  -2.8913234560  -1.2085424287
H    4.7934297444   1.2226622403   1.0945247359
H   -0.6621647185  -0.8799997363   0.3485569117
H    5.5244850191  -1.9219346440  -1.7092950449
H    6.2644211808   0.1363066475  -0.5474053122
H   -0.8823288156  -0.3058628656  -3.0826862175
H    0.7609204128   2.1147411332   2.9965534762
H   -0.4720557751   0.9946283408   2.4232638834
H   -1.1012249105   3.2984446680   1.8182044472
H    0.4497481603   3.5723244710   1.0302171884
H   -0.7134798903   2.4473817162   0.3250409132
H   -4.7530581561   2.2193342686   0.0789261673
H   -4.2285714517   1.6677580463  -4.3765458167
H   -3.1100070838   3.0104083894  -4.0405044337
H   -4.8430743955   3.3282378712  -4.2533257906
*