! 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   0.9984482748  -1.8947549929   1.0880400275
S   -2.9112299704   1.2633032331  -0.7195824073
O    3.0005656222   0.7507301010   0.2336634684
O   -1.0602137513   3.0525024630  -0.1695240032
O    1.5212232894   0.4563059195  -1.4223266730
N   -0.5735476398   0.8510548880   0.2879566156
C   -1.1261124027  -0.4159800211   0.1478561255
C    0.7620372781   1.1553013476   0.7413800121
C   -2.4226382836  -0.3716967483  -0.3798219202
C   -1.3579184413   1.8839647820  -0.1607148571
C   -0.5962670294  -1.6693696381   0.4490748441
C   -3.1843398095  -1.5032040447  -0.5977487203
C    1.7902655349   0.7345457646  -0.2834500756
C   -1.3525269021  -2.8129689147   0.2331104076
C   -2.6360025327  -2.7346550461  -0.2825882815
C    4.1052856399   0.3911812165  -0.6165813789
C    5.3477196571   0.3594444574   0.2358851634
H    0.8342617807   2.2367788286   0.8705079597
H    0.9575852228   0.7217819558   1.7194062243
H   -4.1827276971  -1.4282067895  -1.0067549439
H   -0.9263525676  -3.7776401901   0.4719005967
H   -3.2054394452  -3.6397399625  -0.4407209140
H    3.9170160845  -0.5852923210  -1.0671946827
H    4.1969649864   1.1238363645  -1.4209249520
H    5.2710241415  -0.3837182213   1.0303008503
H    6.2001282089   0.0914808717  -0.3883468812
H    5.5564227519   1.3307057071   0.6853832120
*