! 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  -5.8554060782  -0.8918508527  -2.0031271946
S    1.5270856057  -0.5909237657   1.8259118997
O    2.8736310699   2.2960685145  -0.6387602059
O    1.7510507146  -1.5341754345   2.8978370369
O    1.5694445036   0.8346817319   2.0918930612
O    0.9111133870   1.2384480514  -0.8353018561
O    0.2718727379  -3.0519322868   0.7707113527
O   -2.9508675423   2.3434310179   0.4637302565
N    0.0116164643  -0.8349724976   1.1856001996
N   -1.6220777479  -2.0514871522   0.0668268285
N   -2.2606237845   0.1765039146   0.2782916119
N   -3.5901342707  -1.4017920329  -0.8633873957
C    2.6583305945  -0.9571540022   0.5100200974
C    2.8980261411  -0.0229275278  -0.4986002045
C    3.3663445489  -2.1469720376   0.5687081055
C    3.8673232369  -0.3061553525  -1.4503471472
C    4.3156421156  -2.4233999715  -0.4037716180
C    4.5653544086  -1.5049673049  -1.4088774712
C    2.1019009269   1.2325507618  -0.6548289205
C   -0.3932471136  -2.0434309369   0.6893020741
C    2.2543054156   3.5837049034  -0.8294251819
C   -2.5198109803  -1.0409593212  -0.1767121563
C    3.3443660024   4.6224368914  -0.8115610622
C   -3.1505295917   1.1214410353   0.0275798647
C   -4.3191491972   0.8629210494  -0.6944460991
C   -4.4583006762  -0.4400873428  -1.1052629737
C   -1.7653382409   2.6327295422   1.2059187013
H    3.1921624790  -2.8553294946   1.3651472648
H    4.0714230313   0.4037805515  -2.2406396723
H   -0.5718947619  -0.0119891207   0.9980108317
H    4.8630071288  -3.3548955343  -0.3646749106
H    5.3094313322  -1.7150349198  -2.1651011786
H   -1.8918204431  -2.9559955104  -0.2986408690
H    1.5356880014   3.7573548846  -0.0262075689
H    1.7151952692   3.5937427356  -1.7779922797
H    2.8959555208   5.6077372702  -0.9369694480
H    3.8864293340   4.6222491237   0.1339613103
H    4.0562635636   4.4750762233  -1.6235731636
H   -5.0462784039   1.6324661338  -0.9032571273
H   -0.8733142283   2.4880983863   0.5972697518
H   -1.7019866186   2.0300990430   2.1121119013
H   -1.8427495840   3.6805885615   1.4818720188
*