! 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   3.9023786151   2.3988064846  -1.6305867999
S    1.3962018411  -1.6975351731   1.1791328097
O    1.3444787090  -1.0655329457   2.4750304665
O    1.8515909482  -3.0596438620   1.0544114280
O    1.8414565465   2.8703882499   0.4864670430
O    0.3541514239   1.3017316253   1.0429809667
O    0.3984725353  -2.4038125829  -1.4785205212
O   -3.3783437311   0.6811295024   2.4893207363
O   -5.5575648186   0.8184750030  -1.6031102800
N    3.3797874878  -1.1637478304  -0.6687069386
N   -0.1293005004  -1.5545668344   0.5597565143
N    3.9905261046  -0.1866664078  -1.3192598918
N   -1.6311858359  -1.4531744522  -1.2076822855
N   -2.4867739026  -0.3934893326   0.6782244387
N   -3.5984831508  -0.3342428472  -1.4011155770
C    2.3859027766  -0.6947476238   0.1028158434
C    2.3541687758   0.6866051132  -0.0486179074
C    3.3933442168   0.9235574232  -0.9591917647
C    3.8653584105  -2.5180491836  -0.8773388547
C    1.4068562208   1.6298341883   0.5554029357
C   -0.3993831649  -1.8493386515  -0.7537293638
C   -2.6118294986  -0.6929212958  -0.6023115916
C   -3.4477559200   0.3536335570   1.2138652973
C   -4.5479698290   0.4125561482  -0.8559214726
C    0.9797537355   3.8936311637   0.9859419032
C   -4.5328478279   0.8009136021   0.4783381571
C   -2.2675884155   0.2382584409   3.2659089050
C   -5.5809759874   0.4617063663  -2.9821023129
H   -0.8094617035  -0.9672509957   1.0651201237
H    4.2744866873  -2.9288086855   0.0408873358
H    3.0729683496  -3.1570913831  -1.2527908093
H    4.6542143586  -2.4510137514  -1.6185519282
H   -1.8029577861  -1.6677467145  -2.1814694781
H    1.5063156762   4.8295593257   0.8239212935
H    0.0329256060   3.9148306208   0.4462532358
H    0.7875543290   3.7680340964   2.0513968479
H   -5.3113343268   1.4113888955   0.9121989721
H   -1.3320700682   0.6658369037   2.9066436736
H   -2.1959891885  -0.8496935213   3.2879606363
H   -2.4541936681   0.5983246513   4.2743585476
H   -5.6203335608  -0.6187932522  -3.1204510987
H   -4.7186258730   0.8607017558  -3.5168798930
H   -6.4873188989   0.9070095969  -3.3841783457
*