! 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  -2.9419745382   1.4621226020   1.8715034756
S    1.2892680644  -1.9516254065   0.9964670404
O    2.3818313206   1.7639852435   1.7947877337
O    1.4883056157  -3.3828756793   1.0179839595
O    1.1348903610  -1.2172302284   2.2383609909
O    0.7430541107   1.2766809815   0.3540265761
O    0.4905809929  -2.6792693950  -1.7538124433
O   -4.7262002764   1.5173546486  -2.8003871986
N   -0.1000344285  -1.5966910416   0.1516292741
N   -1.3463378411  -1.3693809962  -1.7973677628
N   -3.0469528984   0.0604675660  -2.3003980833
N   -2.1852274017  -0.0161368150  -0.1080265475
C    2.6131805160  -1.2094561760   0.0783537959
C    2.8313720629   0.1665135135   0.1562326636
C    3.4837679620  -2.0387570342  -0.6097430882
C    3.9522995731   0.6975201141  -0.4652643096
C    4.5869377701  -1.4881617390  -1.2446331557
C    4.8217893227  -0.1257144972  -1.1676755367
C    1.8544800615   1.1098837899   0.7840505384
C   -0.2613720054  -1.9364039112  -1.1626102948
C    1.5511935973   2.7383826150   2.4581231503
C   -2.2253851034  -0.4037205965  -1.3697896077
C    2.3153229428   3.2577586973   3.6470663852
C   -3.8842971652   1.0075646155  -1.9297013099
C   -3.9199255507   1.5202663898  -0.6234465818
C   -3.0240343348   0.9459185693   0.2364478268
C   -4.7061046164   1.0337839556  -4.1426291094
H    3.3161030828  -3.1053250684  -0.6481148705
H    4.1439259790   1.7613251164  -0.4157690186
H   -0.7319217718  -0.8871374889   0.5485308725
H    5.2653255429  -2.1299659218  -1.7894982753
H    5.6870985418   0.3045387336  -1.6534186718
H   -1.4408055545  -1.6332098631  -2.7696480089
H    0.6151333789   2.2675729986   2.7644445383
H    1.3123586781   3.5425020685   1.7592966766
H    2.5383111546   2.4643052469   4.3606105871
H    3.2497652404   3.7347055156   3.3508001057
H    1.7085039744   4.0044840513   4.1589515160
H   -4.6025729554   2.3048640914  -0.3350021393
H   -3.7357155173   1.1944802523  -4.6118941861
H   -5.4613325708   1.6087951401  -4.6712223057
H   -4.9596615416  -0.0251500720  -4.1898568057
*