! 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   1.0998321542  -0.1077135510   2.1474894057
S    1.7247728873  -1.2327968897  -0.8337711676
O    2.2394951288  -1.4354010066  -2.1704332147
O    1.4791730193  -2.3819587205   0.0129622549
O    0.9825489918   1.3433184073  -2.0745283311
O   -3.4134309047  -1.8304320890   1.0944046478
N    0.2537048492  -0.4632508971  -0.9107699972
N   -1.1758484222   1.2997732320  -1.4118562638
N   -3.3696303708   1.6028453785  -0.8716016753
N   -2.2431901653  -0.3271051795  -0.1454988407
N   -4.5039330205  -0.0153979496   0.4079710409
C    2.7775496694  -0.0739593173  -0.0084401337
C    2.5103571191   0.3776680400   1.2824545912
C    3.9145337651   0.3599860076  -0.6769328568
C    3.3801075799   1.2620899056   1.8966725658
C    4.7878661816   1.2363661421  -0.0561974292
C    0.0887973238   0.7555937610  -1.5062317651
C    4.5182081152   1.6850071012   1.2269385526
C   -2.2989671606   0.8333788456  -0.7841569022
C   -4.4519170951   1.1313420597  -0.2566058723
C   -3.3719173546  -0.6994189118   0.4328154367
C   -5.6779924632   1.9670272204  -0.2955555381
C   -2.2329255814  -2.6316358812   1.1704712633
H   -0.5457389521  -0.8627060167  -0.4002531271
H    4.1207571480   0.0168630079  -1.6802824771
H    3.1691197631   1.6191822137   2.8949373428
H    5.6722372552   1.5702143060  -0.5796207944
H    5.1927055031   2.3736226241   1.7165116304
H   -6.5711451532   1.3692477996  -0.1348699197
H   -5.6266025635   2.7120886467   0.5017707568
H   -5.7594723035   2.5046037065  -1.2374622611
H   -1.8953248184  -2.9410109373   0.1818479445
H   -2.5116555880  -3.5119860197   1.7411555794
H   -1.4316066373  -2.1105673816   1.6941938887
H   -1.2785233496   2.1963224989  -1.8707721460
*