! 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  -5.9158155009  -0.7166603245  -2.0248889860
S    1.4927232148  -0.7446628032   1.7930136443
O    3.0435910454   2.3640280714  -0.1192175051
O    1.6413760597  -1.7946027067   2.7749112628
O    1.5327637334   0.6455335250   2.2079584986
O    1.1023352134   1.4026060605  -0.6995991100
O    0.2630850960  -3.0759428606   0.4556849055
O   -2.9187504311   2.3538972005   0.5388959389
N    0.0181343980  -0.8964234704   1.0408708202
N   -1.6224312782  -2.0115966913  -0.1715024481
N   -2.2435165828   0.2006293486   0.1997900528
N   -3.6160934307  -1.3008153807  -0.9944046050
C    2.6983595330  -0.9889185900   0.5182547177
C    3.0237961499   0.0530918040  -0.3506077643
C    3.3714117306  -2.1993617509   0.4717372237
C    4.0449667989  -0.1399612525  -1.2695013624
C    4.3732081915  -2.3842663892  -0.4692987884
C    4.7089986164  -1.3571148279  -1.3353692674
C    2.2653854858   1.3412066331  -0.3942432985
C   -0.3947783862  -2.0598569256   0.4518390628
C    2.4827335832   3.6919246639  -0.1626598137
C   -2.5233546176  -0.9860458901  -0.3205867450
C    2.4014366749   4.2325256692  -1.5704504403
C   -3.1382708213   1.1607339103   0.0379294236
C   -4.3322168536   0.9491258812  -0.6573356961
C   -4.4886335754  -0.3247487243  -1.1455106303
C   -1.7036921505   2.5984084449   1.2482986483
H    3.1301205511  -2.9934872326   1.1632053424
H    4.3168049745   0.6560449168  -1.9504555923
H   -0.5591533574  -0.0560319408   0.9219562694
H    4.8937890412  -3.3308311628  -0.5142884837
H    5.4950362448  -1.4964677154  -2.0652511705
H   -1.9011164867  -2.8878807658  -0.5942469540
H    3.1636076630   4.2875601803   0.4422406101
H    1.5077024593   3.6988504385   0.3275587156
H    2.0724997763   5.2720143860  -1.5275033308
H    3.3755017305   4.2129779388  -2.0609721999
H    1.6881325718   3.6852410713  -2.1859545664
H   -5.0637709582   1.7309724360  -0.7923295653
H   -0.8361367587   2.4675983566   0.6022316640
H   -1.6165791922   1.9586666089   2.1270074486
H   -1.7567424933   3.6349263227   1.5697460487
*