! 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   0.6985215167  -1.6563230158   1.9498241159
S   -2.2343622741   1.1008101244  -1.5532932009
O    2.0037580970   0.6204013518  -0.3112701912
O   -0.7827196333   3.0317607915  -0.5064291112
O    2.8151193510   1.1171950534   1.7159453277
N   -0.5126536196   0.9175098618   0.3581958655
C   -0.9380762155  -0.3868951162   0.1390229267
C    0.4777181329   1.3518320710   1.3164862156
C   -1.9107304473  -0.4644349329  -0.8656278015
C   -1.0489650725   1.8556703576  -0.4868355376
C   -0.5423059574  -1.5775384781   0.7450792464
C   -2.5032909210  -1.6524446642  -1.2474080207
C    1.9004165384   1.0066165934   0.9407300623
C   -1.1340609411  -2.7764066246   0.3723605833
C   -2.1102597231  -2.8168675485  -0.6098662142
C    3.3043129971   0.2631857229  -0.8122688450
C    3.1727051985   0.0323985496  -2.2948829422
H    0.4157314169   2.4387602460   1.3911685098
H    0.2539099427   0.9727967446   2.3105539809
H   -3.2531099777  -1.6722883993  -2.0265660660
H   -0.8185455526  -3.6905778940   0.8561842061
H   -2.5561443584  -3.7631633279  -0.8822421455
H    4.0142028413   1.0646393252  -0.6021937175
H    3.6473829518  -0.6378396209  -0.2997211624
H    2.4677592030  -0.7679029738  -2.5197592800
H    2.8514006142   0.9357593847  -2.8135514964
H    4.1436996745  -0.2551763383  -2.6980260724
*