! 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  -3.3187918491   1.0736259490   2.0162641013
S    1.3193109404  -1.9294245802   0.8197359157
O    1.3553918312   1.1792423606   1.0311917436
O    1.3134680514  -3.3498359542   0.5444132420
O    1.1354477040  -1.4647327944   2.1800746203
O    3.1631476063   1.6277846140   2.2689926883
O    0.7993220918  -1.9193712548  -2.0752759946
O   -4.8268436707   1.7994488398  -2.6897733234
N    0.0847230781  -1.2139442111  -0.0428409611
N   -1.0490658440  -0.6350662945  -1.9921196209
N   -2.9308185956   0.5863144759  -2.3384285949
N   -2.1583338530   0.2255237087  -0.1376339417
C    2.8326983711  -1.2552648190   0.1728159849
C    3.3191204940  -0.0028320785   0.5611852992
C    3.5923124351  -2.0969491612  -0.6263738574
C    4.5851799939   0.3742585485   0.1289973901
C    4.8420981268  -1.6900625882  -1.0663000002
C    5.3385502359  -0.4555657410  -0.6868716205
C    2.6033046003   1.0020504414   1.4054797612
C    0.0008673201  -1.3054737949  -1.4027485154
C    0.5570792566   2.1512050210   1.7347074303
C   -2.0822827069   0.0871501898  -1.4506382951
C    0.1132433866   1.6826072981   3.1004407263
C   -3.9508629700   1.2719109795  -1.8663547171
C   -4.1549106158   1.4708246538  -0.4918692415
C   -3.1997925617   0.9107699345   0.3102797057
C   -4.6421350750   1.6292350166  -4.0951888432
H    3.2256572931  -3.0741310374  -0.9029434068
H    4.9833293986   1.3354635712   0.4244788239
H   -0.6049958835  -0.6481282184   0.4622615626
H    5.4259827813  -2.3485905288  -1.6944258665
H    6.3170374520  -0.1351491376  -1.0178327501
H   -1.0660111475  -0.7094023183  -3.0011768458
H   -0.2993998395   2.3082253543   1.0815473513
H    1.1029994512   3.0939946252   1.7972464479
H   -0.4260024525   0.7382993490   3.0521400222
H    0.9456281874   1.5718876327   3.7932077785
H   -0.5636822789   2.4301532588   3.5155721496
H   -4.9984086404   2.0257259768  -0.1107052052
H   -3.7083680611   2.0791492544  -4.4319216847
H   -5.4783487597   2.1412439716  -4.5629626787
H   -4.6591300219   0.5766332694  -4.3766468996
*