! 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   0.7170856528   1.1690664161  -2.3573385214
S    1.4657149300   1.4927326940   0.9614121386
O    2.1835964221   1.4387754618   2.2162055781
O    1.1094713026   2.7754876626   0.3936531653
O    0.9188473037  -1.2737645203   1.7209877936
O   -3.6810532593   2.2831373193  -0.5960928837
O   -5.5638285998  -1.9417373608  -0.2033310657
N    3.4158783752  -0.2604940882  -0.0220011764
N    2.8483689124  -0.3871888419  -2.1896918476
N    0.0078929049   0.7082337766   1.1001735205
N   -1.2711894601  -1.2286662633   1.1643487526
N   -2.4668739340   0.5603466733   0.2880505265
N   -3.4143011986  -1.5905862925   0.4916602295
C    2.3235665938   0.5640024457  -0.2170263663
C    3.6999752392  -0.8098554445  -1.2538013583
C    2.0234609446   0.4294752707  -1.5588260830
C    4.1318747630  -0.5807667690   1.0928264958
C    4.7735988069  -1.7000677666  -1.3803357861
C    5.1703272639  -1.4481398582   0.9778288888
C    5.5024735534  -2.0150537451  -0.2699372127
C   -0.0487264787  -0.6371168830   1.3557257434
C   -2.4339898551  -0.7179312767   0.6231600547
C   -3.6007189101   1.0129667339  -0.2387476756
C   -4.5387957676  -1.1244336620  -0.0347725974
C   -4.7022510937   0.1984547866  -0.4293242103
C   -2.5453699498   3.1254605187  -0.4109971767
C   -5.4279625347  -3.3121155420   0.1681836226
H    3.8476383470  -0.1240251830   2.0241386281
H    4.9898007575  -2.1181885947  -2.3526103402
H   -0.8382507629   1.1475715144   0.7035779008
H    5.7349209640  -1.6953964728   1.8641488275
H    6.3337060558  -2.7016919859  -0.3420012448
H   -1.2957739795  -2.2159266564   1.3836975830
H   -5.6235357615   0.5643631885  -0.8577932524
H   -1.6928443627   2.7865974317  -1.0004420401
H   -2.2649868737   3.2000411549   0.6397172690
H   -2.8456783654   4.1072188042  -0.7650889851
H   -4.6377576474  -3.8058151365  -0.3962762137
H   -6.3805924194  -3.7754424176  -0.0724492045
H   -5.2349193132  -3.4234338873   1.2344525528
*