! 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   0.7116981411   0.8046105166  -2.5221065147
S    1.4555122199   1.5308118091   0.7387994994
O    2.1623761093   1.6043504872   1.9980812237
O    1.0956191888   2.7426068481   0.0358328996
O    0.8954831153  -1.1680260271   1.7428060712
O   -5.6558152932  -1.8968406669   0.1135671949
O   -3.7563162787   2.2646421320  -0.6768737480
N    3.4206649882  -0.3077378588  -0.0303157168
N    2.8394300205  -0.7220873866  -2.1562303616
N    0.0013832291   0.7540432781   0.9374543268
N   -1.3127885070  -1.1305624220   1.2549694033
N   -3.4830464365  -1.5127802125   0.6935958723
N   -2.5244919853   0.6020607953   0.2877195775
C    2.3294915647   0.4868438388  -0.3268477508
C    3.6965628854  -1.0174896009  -1.1797676657
C    2.0204662473   0.1744780653  -1.6372055478
C    4.1583655829  -0.4594053808   1.1052303998
C    4.7745901929  -1.9130984883  -1.1951551597
C    5.2039207670  -1.3262933813   1.0972049059
C    5.5218093525  -2.0634995482  -0.0626405877
C   -0.0703074047  -0.5508965865   1.3468450594
C   -2.4885986623  -0.6469015908   0.7203932021
C   -4.6236783281  -1.0772545881   0.1772682385
C   -3.6741560567   1.0268507856  -0.2275384693
C   -4.7913621252   0.2138492177  -0.3111253194
C   -5.5025509612  -3.2349944955   0.5796156402
C   -2.6064616327   3.1038153123  -0.6065871665
H    3.8821298330   0.1238582414   1.9664121905
H    4.9803348231  -2.4597557693  -2.1044226017
H   -0.8554363968   1.1838198538   0.5569324960
H    5.7862890471  -1.4391876456   1.9998922569
H    6.3584758100  -2.7478540482  -0.0500384436
H   -1.3483973990  -2.0940057096   1.5624912552
H   -5.7254391947   0.5575456343  -0.7310275216
H   -4.7353266223  -3.7711810373   0.0208225053
H   -6.4642285242  -3.7139871689   0.4153085617
H   -5.2621788726  -3.2680502062   1.6423629680
H   -2.2805207086   3.2590006285   0.4225318747
H   -2.9130941261   4.0587301856  -1.0248891598
H   -1.7818167041   2.7100608802  -1.2024636604
*