! 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  -0.2961370597  -1.3140185081   1.1989654214
Cl  -4.7420482017  -2.2250748272   1.0027946929
Cl   2.8974896488  -4.7971541106  -1.3504625552
S   -0.2636706017   2.9282671998  -0.1681818579
N    2.3367383313   2.7407121481   1.1292624477
N    0.4272316446   0.5531273238  -1.0336580588
N    1.9069903124   3.3841913179   2.2181345750
N    3.3654295655   4.6468606688   1.0825885382
C    1.8448263547   1.4363073377   0.7804402605
C   -1.6577779904   2.4287276312  -1.2238396271
C    0.7129447968   1.4767944683  -0.2240510552
C   -2.4391534942   1.2742296773  -0.6694552689
C   -2.5896957701   0.1060148895  -1.4075283522
C   -3.0249999669   1.3475732421   0.5898101271
C    1.0625862870  -0.6787648934  -1.0531195467
C   -3.3032984583  -0.9711981966  -0.9065284168
C   -3.7381266004   0.2793483646   1.1093471956
C    3.2040724990   3.5082505289   0.4592234561
C    0.7833565062  -1.6660640721  -0.1037975124
C    1.9206807858  -1.0081752774  -2.1016486057
C   -3.8668077203  -0.8758671427   0.3543948094
C    1.3419514083  -2.9313162666  -0.1873472674
C    2.4948484443  -2.2627544361  -2.1963716265
C    2.1983850764  -3.2175368961  -1.2364980014
C    2.5502642203   4.5199869125   2.1501361348
H    1.4974356336   0.9526130094   1.6942509993
H    2.6663281261   0.8384980003   0.3851254268
H   -1.2901188298   2.2197398346  -2.2272317505
H   -2.2705416767   3.3304218383  -1.2839558013
H   -2.1350990696   0.0265196335  -2.3863840715
H   -2.9189553163   2.2455747078   1.1867179253
H   -3.4037107205  -1.8765205789  -1.4900629906
H   -4.1853243035   0.3489791368   2.0918153028
H    3.6832395260   3.1955870040  -0.4556263615
H    2.1325483164  -0.2625271273  -2.8566522823
H    1.1091716886  -3.6787873896   0.5585474865
H    3.1621688767  -2.4918672871  -3.0158792099
H    2.4324904669   5.2865985169   2.8999316355
*