! 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  -5.6777083836  -0.5059606640  -2.2114083683
S    1.5297368996  -0.8753425662   1.8882435450
O    2.7801834361   2.3698077304  -0.3452181046
O    1.7810479970  -1.9688967823   2.7997766388
O    1.5570609179   0.4910261840   2.3738418164
O    0.8353920608   1.2625439897  -0.4299290716
O    0.3036069650  -3.1549021823   0.4498515065
O   -2.9362649640   2.2093154192   0.9685568567
N    0.0079514081  -1.0465673796   1.2394821153
N   -1.5853049816  -2.0600259997  -0.1148286747
N   -2.2422969860   0.0992346656   0.4513936359
N   -3.4929261439  -1.2362479028  -1.0355572497
C    2.6563901310  -1.0214235552   0.5229133537
C    2.8760636344   0.0475408739  -0.3499696059
C    3.3957004160  -2.1889895613   0.4231628153
C    3.8586265048  -0.0811727795  -1.3221565708
C    4.3560105064  -2.3084998857  -0.5706992668
C    4.5878210811  -1.2562284761  -1.4387853052
C    2.0372453150   1.2837899625  -0.3599863495
C   -0.3710479210  -2.1530444273   0.5303106907
C    2.1276121865   3.6503035466  -0.4578412499
C   -2.4695138340  -1.0148139153  -0.2290215819
C    1.7458989860   3.9734601661  -1.8825386075
C   -3.1099412662   1.0863530371   0.3111306819
C   -4.2276787413   0.9744590224  -0.5207972761
C   -4.3418141429  -0.2354815950  -1.1605948975
C   -1.8086878167   2.3388518442   1.8362852315
H    3.2391476082  -3.0033098455   1.1152258890
H    4.0482707882   0.7326742344  -2.0091489040
H   -0.5800681107  -0.2078376268   1.1727903913
H    4.9252341941  -3.2238575990  -0.6543663202
H    5.3408498357  -1.3420246500  -2.2103952323
H   -1.8344564112  -2.8865876571  -0.6429615289
H    2.8658744063   4.3581779194  -0.0863964878
H    1.2639391810   3.6863680051   0.2075675715
H    2.6092888387   3.9247762360  -2.5468794057
H    0.9704453189   3.3121323698  -2.2669413642
H    1.3583805086   4.9924717443  -1.9185038679
H   -4.9378136498   1.7786463606  -0.6394630986
H   -1.8993632742   3.3228602598   2.2876474507
H   -0.8728482395   2.2863144489   1.2800830725
H   -1.8189935693   1.5841965818   2.6232929756
*