! 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   0.9563952834  -1.5044868886   2.9243087173
Cl  -4.7968219303  -1.3511918263  -2.8176890677
Cl   2.8142401092  -4.9130186322  -0.7887055575
S   -0.4549621246   2.7095213414   0.7629860247
N    2.3806113177   3.0139767607   0.1098432574
N    0.2231130013   0.1828215959   0.6516322138
N    2.0890887882   4.1474218099  -0.5340586944
N    3.3079684998   4.5724201292   1.2948654025
C    1.8731675055   1.7436384959  -0.3350600457
C   -1.9128402051   1.8268308209   1.3925761661
C    0.5852500756   1.3564737105   0.3638680071
C   -2.6409281206   1.0393790598   0.3440145156
C   -3.1540720982   1.6620077328  -0.7897964321
C   -2.8194543561  -0.3316257373   0.4897444600
C    0.9052071130  -0.9627682300   0.2867362869
C   -3.8206181906   0.9361110923  -1.7640299755
C   -3.4897717454  -1.0731023097  -0.4709834053
C    3.1038234635   3.2829408210   1.2020845018
C    1.2614732017  -1.8892339104   1.2708192825
C    1.1494831125  -1.3030886096  -1.0436588271
C   -3.9804972252  -0.4307633798  -1.5957197181
C    1.8573431106  -3.0962892829   0.9525817208
C    1.7340504447  -2.5108533418  -1.3838404195
C    2.0867543844  -3.3980972415  -0.3807204114
C    2.6668015290   5.0540942149   0.2100736009
H    2.6318394031   0.9792921034  -0.1670419030
H    1.7064877351   1.8103796848  -1.4102982197
H   -2.5438102306   2.6216155417   1.7961627663
H   -1.6082523633   1.1961932484   2.2268305819
H   -3.0249952308   2.7286690200  -0.9292321668
H   -2.4166379303  -0.8371188167   1.3578650356
H   -4.2089297870   1.4327831481  -2.6429076477
H   -3.6143551426  -2.1402320293  -0.3449890241
H    3.4545771815   2.5203055682   1.8801539847
H    0.8470219377  -0.6229373132  -1.8297679846
H    2.1327806910  -3.7917217962   1.7333668605
H    1.9037288971  -2.7538064096  -2.4236904018
H    2.6290567719   6.1030606059  -0.0389899959
*