! 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  -1.7094056937  -0.6981582189   3.1878822321
Cl   4.2641853241   1.8315128494  -3.6612882561
Cl  -3.9627284321   3.5668248403   0.8310005480
S    1.7365705648  -2.7119866460   0.9092294976
N   -1.9546023878  -2.0392789357  -0.2999245061
N    0.2694048773  -0.5399540610   0.9139593903
N   -1.7357379311  -1.5682613318  -1.5302681306
N   -3.8244111915  -1.0928499575  -0.8597727936
C   -0.9157946635  -2.6965666619   0.4378373508
C    2.9624809939  -1.4090661994   1.2291102424
C    0.2552898809  -1.7888446290   0.7529303046
C    3.2820677244  -0.5962976376   0.0112838408
C    3.9362743923  -1.1781333158  -1.0716332324
C    2.9441608864   0.7506796317  -0.0587826610
C   -0.7992492784   0.3390594854   0.8634328963
C    4.2430751731  -0.4400756426  -2.2028256640
C    3.2444226428   1.5058653519  -1.1835609741
C   -3.1964970381  -1.7402477743   0.0877822006
C   -1.7441617899   0.4408250137   1.8859048947
C   -0.8635226563   1.2751959108  -0.1695498059
C    3.8892898093   0.9002797652  -2.2488075110
C   -2.7165581082   1.4273024334   1.8884759566
C   -1.8347583633   2.2574417917  -0.1945571582
C   -2.7530878824   2.3301321355   0.8410985396
C   -2.8802851621  -1.0067749740  -1.8174960684
H   -0.5721257567  -3.5642456572  -0.1265982044
H   -1.3363768156  -3.0745175180   1.3708432304
H    3.8405793773  -1.9564242970   1.5750498199
H    2.6159067962  -0.7893170735   2.0541796527
H    4.2130689528  -2.2249677796  -1.0386292619
H    2.4380429348   1.2228547400   0.7720157582
H    4.7528033440  -0.9051813778  -3.0353625265
H    2.9733162970   2.5520011689  -1.2236232318
H   -3.5999671427  -2.0314044246   1.0449213805
H   -0.1301248166   1.2256473731  -0.9629293637
H   -3.4346010952   1.4818523285   2.6948360890
H   -1.8645503386   2.9647884014  -1.0115896179
H   -3.0480407969  -0.5189256654  -2.7643729460
*