! 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   0.6434359679   1.1029587802  -2.3036396446
S    1.4802019069   1.4871671938   0.9830410975
O    2.2138580784   1.4319324088   2.2281361317
O    1.1266650121   2.7688772471   0.4121178654
O    0.9183967196  -1.2704053595   1.7632799690
O   -3.6728586370   2.2924780998  -0.5729416198
O   -5.5077281796  -1.9625075486  -0.3070970235
N    3.4171141524  -0.2703054291  -0.0242386017
N    2.7864700998  -0.4413828753  -2.1711340335
N    0.0167165121   0.7150774742   1.1419871133
N   -1.2725549127  -1.2156332617   1.2113114024
N   -2.4646260681   0.5738753214   0.3291660909
N   -3.3883298548  -1.5928287673   0.4663035646
C    2.3132947614   0.5424911627  -0.2016333616
C    3.6687648619  -0.8407353832  -1.2537257949
C    1.9751381999   0.3815990688  -1.5310977971
C    4.1731615119  -0.5595562613   1.0723785022
C    4.7467721821  -1.7229302570  -1.3967736959
C    5.2177102790  -1.4172747846   0.9407759738
C    5.5148859391  -2.0071703109  -0.3049265996
C   -0.0471302364  -0.6291170219   1.4009628081
C   -2.4246391828  -0.7096609172   0.6427401765
C   -3.5864214597   1.0188418333  -0.2293033676
C   -4.5009246065  -1.1338900154  -0.0906445255
C   -4.6693427758   0.1926949321  -0.4699828288
C   -2.5560509654   3.1483999128  -0.3428329599
C   -5.3597188206  -3.3393431043   0.0339675057
H    3.9142295060  -0.0865365030   2.0027734376
H    4.9367866034  -2.1573744456  -2.3671394145
H   -0.8291388608   1.1629484661   0.7569717836
H    5.8140570653  -1.6399618677   1.8124575454
H    6.3514457866  -2.6857115459  -0.3907125899
H   -1.2972366641  -2.2046196127   1.4227938113
H   -5.5799709713   0.5525621487  -0.9254736450
H   -1.6806768332   2.8297427826  -0.9098345370
H   -2.3095447568   3.2143187321   0.7169183830
H   -2.8599361127   4.1299312841  -0.6945150377
H   -5.1975141545  -3.4753636147   1.1024579490
H   -4.5442005079  -3.8051325163  -0.5179904818
H   -6.2962907058  -3.8120582714  -0.2478503040
*