! 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  -5.7584827024  -0.8293865224  -2.0844740878
S    1.5480243876  -0.6043563770   1.8529558551
O    2.7830918676   2.2876094958  -0.6624847181
O    1.8078439284  -1.5433566262   2.9206726767
O    1.5879844924   0.8222306378   2.1157392864
O    0.8353690354   1.1944601666  -0.8062891760
O    0.2883614442  -3.0681457959   0.8029879947
O   -2.9080422802   2.3387313016   0.5289693422
N    0.0170587337  -0.8594284246   1.2556182532
N   -1.6066249152  -2.0610519153   0.1077972726
N   -2.2367488831   0.1671084021   0.3360099988
N   -3.5406474833  -1.3807542490  -0.8733633794
C    2.6459374079  -0.9644254666   0.5075892530
C    2.8488417094  -0.0316116243  -0.5104825956
C    3.3665038974  -2.1472747964   0.5507387919
C    3.7957698492  -0.3082189472  -1.4862868071
C    4.2916553790  -2.4180865989  -0.4462717601
C    4.5056956422  -1.5004352964  -1.4602391215
C    2.0301072073   1.2107132334  -0.6541241272
C   -0.3796073224  -2.0606746832   0.7345791925
C    2.1361503314   3.5622747006  -0.8491716377
C   -2.4904148741  -1.0405719210  -0.1468747812
C    3.2090427858   4.6168157014  -0.9082953953
C   -3.1057400408   1.1259469907   0.0671127451
C   -4.2503795549   0.8902498841  -0.6993380278
C   -4.3897325177  -0.4060428174  -1.1310172317
C   -1.7451040625   2.6022549852   1.3154663017
H    3.2210469379  -2.8548355704   1.3536752082
H    3.9716694528   0.4009098787  -2.2840849155
H   -0.5725727968  -0.0381414120   1.0744826888
H    4.8478651592  -3.3447974569  -0.4198901408
H    5.2312632173  -1.7060575894  -2.2354402758
H   -1.8725542074  -2.9594703991  -0.2747056858
H    1.4569228511   3.7421040824  -0.0144462348
H    1.5498065022   3.5445702967  -1.7684316109
H    2.7395363740   5.5925550718  -1.0290135337
H    3.7998141218   4.6442473910   0.0063205626
H    3.8787935504   4.4634972332  -1.7533502888
H   -4.9607548066   1.6707460764  -0.9245035845
H   -1.7207531113   1.9874106947   2.2153887609
H   -1.8170526978   3.6478017678   1.6019358207
H   -0.8353520908   2.4526665003   0.7349572896
*