! 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   4.1706549437   2.4282979574  -1.1314643391
S    1.3040071794  -1.8450128298   0.9946252281
O    1.2184025681  -1.4035189252   2.3657252163
O    1.6917650973  -3.2028902794   0.6987729740
O    1.9652829201   2.7689278365   0.8405647348
O    0.4558318815   1.1831716784   1.2799500608
O    0.4350196517  -2.0573566942  -1.7903635154
O   -5.5610969964   1.1070852568  -1.6233786204
O   -3.4886726995   0.3804468074   2.4651615860
N    3.4055145503  -1.1890221486  -0.6675492114
N   -0.1727734034  -1.5255291614   0.3308270310
N    4.1007606580  -0.1741313356  -1.1555453401
N   -1.5935045498  -1.1220063424  -1.4595080409
N   -3.5793725500  -0.0207336957  -1.5405481696
N   -2.5227421961  -0.3753943845   0.5372784859
C    2.4002635687  -0.7655202853   0.1147107548
C    2.4454443297   0.6243024106   0.1406371880
C    3.5434018872   0.9137954378  -0.6823824762
C    3.8229403133  -2.5307976132  -1.0436768606
C    1.5124463778   1.5331738870   0.8158740546
C   -0.3875561742  -1.6061618984  -1.0223411893
C   -2.6061967497  -0.4784019596  -0.7771984496
C   -4.5626191395   0.6123866751  -0.9162118534
C   -3.5186089383   0.2555770456   1.1526083966
C    1.1266444879   3.7623977102   1.4325133348
C   -4.5951048531   0.7876915541   0.4623339295
C   -5.5436576897   0.9532403443  -3.0400300277
C   -2.3931000002  -0.1736933404   3.1910210910
H   -0.8698627546  -1.0181009168   0.8958614337
H    4.6202176534  -2.4113883274  -1.7693583113
H    4.2019564290  -3.0736068422  -0.1824303099
H    3.0014813286  -3.0741053500  -1.4983196552
H   -1.7225701065  -1.1766239332  -2.4617550796
H    1.6536454069   4.7045055019   1.3115394137
H    0.1617408776   3.8220839531   0.9289693919
H    0.9717979936   3.5694514410   2.4940724022
H   -5.4026215600   1.3031490474   0.9615840075
H   -4.6704615692   1.4287166908  -3.4873340894
H   -6.4429489221   1.4473652503  -3.3987492213
H   -5.5698884674  -0.0966926248  -3.3324446358
H   -2.3127883320  -1.2513907153   3.0424209419
H   -2.6082001657   0.0201786386   4.2386324285
H   -1.4519096257   0.3100996523   2.9293324405
*