! 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   3.6436568949   2.7637450089  -0.3294341021
S    1.2532808308   0.7407205950   1.3208831643
O    1.1152836786  -0.1842071853   2.4320031721
O    1.3332860053   2.1602456615   1.5637994619
O    0.5157039944   1.6940193091  -1.3861446540
O   -6.0753308837   0.0939361600  -1.5395108664
O   -3.6548022569  -1.4022002236   2.1275131424
N    2.9644327151  -1.0058899570   0.0667270649
N    4.4453689102   0.3362154385  -0.9369213425
N   -0.0643554379   0.3756245782   0.3711222564
N   -1.6009031999   0.9094524106  -1.2887869096
N   -3.8317136864   0.4925462413  -1.4223256054
N   -2.6070091432  -0.2741991550   0.4406512722
C    2.6131904797   0.2977988554   0.3646481565
C    4.0898015522  -0.9273858773  -0.7230495705
C    3.5534883532   1.0719206037  -0.2921158343
C    2.4021099304  -2.1980027091   0.4111231932
C    4.6932723131  -2.1081964586  -1.1776827011
C    2.9764538735  -3.3458539929  -0.0323556680
C    4.1381523466  -3.3062197829  -0.8322779230
C   -0.3216821769   1.0469207710  -0.8002213986
C   -2.7229346742   0.3446047382  -0.7226132966
C   -4.9314488027  -0.0234066229  -0.8921225028
C   -3.7181297224  -0.7842411025   0.9632571598
C   -4.9447898855  -0.6897123552   0.3283521387
C   -6.0949048604   0.7823870265  -2.7870350341
C   -2.3986543639  -1.4971358427   2.7934142226
H    1.5219793490  -2.1855052639   1.0323767461
H    5.5805917723  -2.0347274161  -1.7896802864
H   -0.8670575428  -0.0881131416   0.8261849149
H    2.5288813612  -4.2889209375   0.2437192691
H    4.5865580196  -4.2297884616  -1.1703190506
H   -1.7586928965   1.3710019634  -2.1750510122
H   -5.8480409370  -1.1032399309   0.7527259523
H   -5.7763576395   1.8194986723  -2.6811281115
H   -7.1300549262   0.7587209090  -3.1178487433
H   -5.4697274851   0.2885173220  -3.5311165321
H   -1.6717009137  -2.0592749715   2.2059497521
H   -2.5953523949  -2.0373806543   3.7154039906
H   -1.9974186070  -0.5141334982   3.0426396400
*