! 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   0.9702611488  -1.7931248803  -1.7116407931
S   -2.4498983533   1.2206926347   1.0606684956
O    1.8484245021   0.6456765499   0.5342023702
O   -0.9554789761   3.0809988133  -0.0456598171
O    3.0207244439   1.0436302357  -1.3324657264
N   -0.5018953429   0.8927070909  -0.5967978578
C   -0.8950908070  -0.3962897858  -0.2506028811
C    0.6489088831   1.2530552578  -1.3942736296
C   -1.9755774295  -0.3992738841   0.6387308138
C   -1.1753025946   1.8962617393   0.0524739876
C   -0.3863908549  -1.6303942665  -0.6489855533
C   -2.5565680771  -1.5593375029   1.1134346535
C    1.9763339362   0.9619924810  -0.7341071451
C   -0.9619289890  -2.8027220895  -0.1802710947
C   -2.0396500721  -2.7716937580   0.6901625997
C    3.0355700527   0.3048027010   1.2773540367
C    2.6316519668   0.0958942070   2.7134442817
H    0.6136880274   0.7807580750  -2.3725153086
H    0.6038344079   2.3258232359  -1.5841031376
H   -3.3896638565  -1.5203851031   1.8014438037
H   -0.5554184762  -3.7522749355  -0.4995086578
H   -2.4702231826  -3.6986611540   1.0409236138
H    3.4692678395  -0.6029935382   0.8535076558
H    3.7684791285   1.1077503533   1.1880465021
H    1.8772546143  -0.6848085396   2.8111902956
H    3.5062791401  -0.2123256466   3.2852975026
H    2.2463725582   1.0123385947   3.1603905927
*