! 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   2.1532161696  -0.6559713595   3.2506808041
Cl  -3.5501279384  -0.9654821631  -3.7422070543
Cl   2.8287269677  -4.9978325286   0.1699703851
S   -0.6529130523   2.5684399924   1.4563631581
N    1.7079631447   2.5726902160  -0.3311534594
N   -0.0786495705   0.0069874385   1.3299275750
N    2.0651023716   3.8289462343  -0.0534442184
N    1.1474150852   3.7015522244  -2.0983682403
C    1.7546887690   1.5278418212   0.6575870781
C   -2.2969138762   1.7965263386   1.4489233827
C    0.3688508889   1.1760281807   1.1544658942
C   -2.6139064238   1.1184077888   0.1482545630
C   -3.0465328195  -0.2022466532   0.1371383049
C   -2.4827324275   1.7880909445  -1.0652831775
C    0.6616197470  -1.1354013064   1.0476070145
C   -3.3438203335  -0.8499206009  -1.0532738393
C   -2.7702033440   1.1558870131  -2.2644278329
C    1.1469523628   2.5178255135  -1.5401794757
C    1.6928198096  -1.5892949235   1.8708096089
C    0.3139419447  -1.9183276902  -0.0524191660
C   -3.1968005173  -0.1633710634  -2.2467744100
C    2.3603247981  -2.7761454808   1.6132307880
C    0.9766882023  -3.0982232355  -0.3353181997
C    1.9964172137  -3.5193616472   0.5043558409
C    1.7181230368   4.4603213493  -1.1436361459
H    2.3752492906   1.8733478402   1.4838210469
H    2.2368289733   0.6482499470   0.2310966759
H   -2.9743325708   2.6329454127   1.6338454371
H   -2.3892618062   1.1118302372   2.2898584142
H   -3.1485608189  -0.7445871369   1.0681145564
H   -2.1401739818   2.8155142582  -1.0859544362
H   -3.6739800621  -1.8796471990  -1.0434201405
H   -2.6616426829   1.6886359625  -3.1992414170
H    0.7746478957   1.6032272740  -1.9756402123
H   -0.4946575752  -1.5887269138  -0.6919099642
H    3.1553900113  -3.1058545448   2.2672015091
H    0.6937870926  -3.6820497140  -1.1999273932
H    1.8903386032   5.5187097601  -1.2589866121
*