! 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  -6.2670230139  -0.5072605057   0.6040320005
S    1.7890364243  -0.6083962693  -1.3862672417
O    1.6850363557   1.4018046357   1.1708804545
O    1.9431455231   0.7976040623  -1.7152128522
O    1.8754446971  -1.6067634867  -2.4300288605
O    3.6807014246   2.2957409533   0.6930162800
O    0.3640690942  -2.8595392393  -0.0601676932
O   -2.7693178526   2.3737746368  -1.5117342055
N    0.2844121529  -0.6775382395  -0.6767682610
N   -1.6040017440  -1.7704585282   0.1252073579
N   -2.1579406459   0.3416164747  -0.6778265311
N   -3.7628276233  -1.0788267824   0.3039008339
C    2.9547332857  -1.0330866721  -0.1226548366
C    3.4457673749  -0.0645253673   0.7530015960
C    3.4693528190  -2.3212435819  -0.1284960165
C    4.4705202278  -0.4144545690   1.6223459604
C    4.4704313419  -2.6603793056   0.7674838818
C    4.9717742621  -1.7075160459   1.6386551872
C    2.9554485181   1.3459515002   0.8322292339
C   -0.2676752240  -1.8384160079  -0.2087337239
C    1.0965770237   2.7041533277   1.3476288271
C   -2.5377269240  -0.7883366726  -0.0955780597
C   -0.2981224017   2.5119295971   1.8824075669
C   -3.0889690598   1.2520025703  -0.9081979438
C   -4.4192127602   1.0597527470  -0.5277358916
C   -4.6675399043  -0.1458928921   0.0825138698
C   -1.4345713000   2.5540033776  -1.9840185771
H    3.1072704807  -3.0607268276  -0.8273297045
H    4.8745197571   0.3257251668   2.3003239186
H   -0.3351810266   0.1274193887  -0.8210724347
H    4.8649288841  -3.6670616069   0.7689744199
H    5.7628234962  -1.9648348003   2.3299032814
H   -1.9686859378  -2.6198174823   0.5381698264
H    1.0932430277   3.2303312624   0.3901711098
H    1.6993443039   3.2872722697   2.0460620583
H   -0.9218053311   1.9278503893   1.2065194654
H   -0.2914115111   2.0150787131   2.8528036546
H   -0.7686839974   3.4868214534   2.0090398504
H   -5.1814282850   1.8022611493  -0.7083092508
H   -1.1470379339   1.7703168107  -2.6850521355
H   -0.7196447249   2.5991025191  -1.1614725663
H   -1.4319401447   3.5104561451  -2.4986355917
*