! 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  -0.8177603619  -0.2814253526  -1.9166477301
Cl   3.6411305876   3.5015688416  -1.6753880052
Cl   0.2510879884   4.2782476090   0.6849808768
S    0.9226235722  -2.7325005039   0.2662584401
N   -2.9673468249  -3.5099134881   0.2321415863
N   -1.4331024159  -1.3707946318   0.7908954604
N   -3.7927732403  -3.7132660224   1.2615320055
N   -4.8933987997  -2.7902399386  -0.4643253251
C   -1.5527180635  -3.7187022552   0.3375775650
C    1.8433873562  -1.4692919878   1.1883825931
C   -0.7933205148  -2.4212550536   0.5165328054
C    2.2681497660  -0.2434364045   0.4297002922
C    2.4636335980  -0.2361104104  -0.9459025198
C    2.5436119440   0.9156484010   1.1481745442
C   -0.9514762068  -0.0718091687   0.7792169622
C    2.8889680579   0.9097590239  -1.5991194243
C    2.9816919903   2.0664097233   0.5132122971
C   -3.6308972894  -2.9450030041  -0.7746001696
C   -0.6776540936   0.5796408660  -0.4260929099
C   -0.8811757021   0.6764048039   1.9526212599
C    3.1372279024   2.0558920487  -0.8621364831
C   -0.3191866504   1.9163990191  -0.4649151979
C   -0.5134077892   2.0091391021   1.9348849109
C   -0.2338896153   2.6186530714   0.7223532017
C   -4.9298996158  -3.2770318065   0.7899714899
H   -1.1944196488  -4.2346257420  -0.5556025155
H   -1.3624103846  -4.3796101508   1.1819847778
H    2.7281878920  -2.0155751895   1.5249031990
H    1.2921593478  -1.2144480951   2.0924728048
H    2.2627492587  -1.1219753149  -1.5336860270
H    2.4082014427   0.9317319343   2.2222257825
H    3.0186718500   0.9037400106  -2.6726369970
H    3.1757390295   2.9622459801   1.0858555769
H   -3.1630312032  -2.6750210864  -1.7083401124
H   -1.1134381942   0.1982709397   2.8948049791
H   -0.1046072033   2.3941358427  -1.4102002659
H   -0.4488455285   2.5622596718   2.8613454052
H   -5.8333797753  -3.3177956262   1.3775693247
*