! 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   0.9904202912  -0.1454785305   2.0785476438
S    1.7579979354  -1.2670577227  -0.8705064837
O    2.3261667381  -1.4568866307  -2.1874567499
O    1.5007141066  -2.4206519594  -0.0330987398
O    1.0124299850   1.2881179550  -2.1547963398
O   -3.3744641877  -1.8406157437   1.0793046362
N    0.2756236430  -0.5243685435  -1.0032138927
N   -1.1326087214   1.2713160729  -1.4482602148
N   -3.2841951335   1.6441774780  -0.7942979375
N   -2.2034540406  -0.3491549283  -0.1761293867
N   -4.4180505318   0.0384307251   0.5012298635
C    2.7551843527  -0.0872728495  -0.0060015124
C    2.4229664831   0.3686416648   1.2683382368
C    3.9108711151   0.3669807173  -0.6277143175
C    3.2414101088   1.2820159537   1.9099151896
C    4.7351402865   1.2696392311   0.0220681166
C    0.1205822522   0.7076424103  -1.5763959366
C    4.3971212113   1.7266532056   1.2860486949
C   -2.2415269235   0.8293870590  -0.7792067631
C   -4.3510525145   1.2018367104  -0.1362394742
C   -3.3183311925  -0.6916889780   0.4493092140
C   -5.5506564998   2.0749765736  -0.0864443460
C   -2.2259447739  -2.6902820186   1.0769194485
H   -0.5196920509  -0.9122199593  -0.4775299835
H    4.1701397750   0.0216533742  -1.6178334210
H    2.9774921544   1.6441091081   2.8938120739
H    5.6341832689   1.6187238888  -0.4652404020
H    5.0311560136   2.4385359309   1.7959912329
H   -6.4516587795   1.5038394577  -0.3047705902
H   -5.6632240614   2.4781044263   0.9218726447
H   -5.4707186625   2.9058640428  -0.7812813340
H   -1.9454681380  -2.9816119111   0.0653140787
H   -2.5151661765  -3.5760655518   1.6338645970
H   -1.3810317784  -2.2189552040   1.5788792694
H   -1.2261379389   2.1786238882  -1.8874534452
*