! 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  -5.7433149688  -0.8098362459  -2.0712681905
S    1.5490007948  -0.6470298152   1.8795534375
O    2.7098254570   2.2887320553  -0.7481792186
O    1.8386631683  -1.6083911447   2.9194976220
O    1.5834054928   0.7725013641   2.1762996870
O    0.7691432149   1.1790249584  -0.6900272887
O    0.2936847887  -3.0965230094   0.7904341760
O   -2.9376926413   2.2953496873   0.6630709758
N    0.0070755509  -0.9052653518   1.3116051401
N   -1.6170451855  -2.0882749027   0.1433283928
N   -2.2612984386   0.1291890380   0.4292827204
N   -3.5412938325  -1.3877884357  -0.8434407623
C    2.6274479165  -0.9707990157   0.5065618065
C    2.8118154286  -0.0216628052  -0.5016342195
C    3.3621148815  -2.1455025817   0.5257949743
C    3.7545827138  -0.2755141178  -1.4882924186
C    4.2807584978  -2.3940543116  -0.4833126629
C    4.4778202421  -1.4599495300  -1.4852072005
C    1.9721890316   1.2068846942  -0.6336575761
C   -0.3849826350  -2.0944527551   0.7609768987
C    2.0356353561   3.5438919422  -0.9682279685
C   -2.5027640920  -1.0647942855  -0.0922061638
C    3.0892517180   4.6090890850  -1.1192984204
C   -3.1261928379   1.0941092452   0.1682823483
C   -4.2569043637   0.8775093242  -0.6242846424
C   -4.3877139186  -0.4078194355  -1.0900577858
C   -1.7951921172   2.5376565995   1.4855915362
H    3.2321433857  -2.8655491185   1.3203059790
H    3.9166554211   0.4458918134  -2.2779372187
H   -0.5888932186  -0.0839558675   1.1538400815
H    4.8454041616  -3.3160335650  -0.4744647014
H    5.1992763105  -1.6458786948  -2.2692711906
H   -1.8757550682  -2.9762808881  -0.2672257374
H    1.3831683446   3.7551254968  -0.1186330679
H    1.4158122239   3.4721054440  -1.8638149844
H    3.7341051231   4.4204250751  -1.9778452379
H    2.6002706641   5.5705178038  -1.2756709567
H    3.7096323243   4.6928305724  -0.2268723979
H   -4.9642021785   1.6632319802  -0.8418315789
H   -1.8735146635   3.5758562712   1.7956647052
H   -0.8700129735   2.4014087258   0.9265516978
H   -1.7952625806   1.9004856473   2.3703129289
*