! 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 "1-OCTANOL"
end
*xyz 0 1
Cl  -0.7550075756   0.7301939415   1.9768861249
Cl   2.9612138395   3.2577973372   0.9206277823
Cl  -0.2581578242   4.3288336246  -1.9633468849
S    0.3644426237  -2.4750016893  -1.9465426607
N   -2.0312616877  -3.4056638868   1.2004927866
N   -1.2676476433  -1.1862863442  -0.1434616809
N   -3.3409049180  -3.6081421370   1.0451735130
N   -2.8994573289  -2.8569666531   3.1079346073
C   -1.1194699805  -3.5627595054   0.1039039104
C    1.9489754348  -2.3236008381  -1.0414784308
C   -0.7736319136  -2.2588609811  -0.5673703161
C    2.2150190219  -0.9356678092  -0.5517816556
C    2.3669333008   0.1180993821  -1.4522410797
C    2.3082309731  -0.6717452772   0.8070548248
C   -1.0275285672   0.0876599300  -0.6326267417
C    2.6072576967   1.4038441633  -1.0083492496
C    2.5542604672   0.6144119055   1.2711616679
C   -1.7836959467  -2.9451083436   2.4276442329
C   -0.7720609380   1.1018647422   0.2940426670
C   -1.1066636159   0.4380961028  -1.9788640211
C    2.6957888262   1.6405052324   0.3573030468
C   -0.5261148814   2.4036537024  -0.1038716088
C   -0.8887296562   1.7397906278  -2.3938548270
C   -0.5787952855   2.7077574119  -1.4531147828
C   -3.8189314172  -3.2749185745   2.2153601540
H   -1.5680328492  -4.2444979314  -0.6190574819
H   -0.2017933153  -4.0420479956   0.4539620735
H    2.6944922213  -2.6378311247  -1.7745361172
H    1.9783366566  -3.0510095038  -0.2299146439
H    2.2837009819  -0.0624445648  -2.5167875402
H    2.1881465055  -1.4733991336   1.5254263119
H    2.7155618100   2.2137577317  -1.7167178687
H    2.6172996963   0.8061938314   2.3332921280
H   -0.7931451648  -2.6986355673   2.7757312815
H   -1.3652156555  -0.3095003757  -2.7146363525
H   -0.3010487191   3.1646647173   0.6294852484
H   -0.9576978935   1.9890820173  -3.4435987722
H   -4.8729670708  -3.3369577571   2.4371412884
*