! 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 4
end
%cpcm
    smd    true
    smdsolvent "1-OCTANOL"
end
*xyz 0 1
Cl  -4.7785150639  -0.5959465450   1.6611959876
S   -1.9030803208  -1.3487789548  -0.3409884904
O   -1.6587355536  -1.5053912958  -1.7579771266
O   -2.6056058449  -2.3721382148   0.3946692039
O   -1.0736831789  -0.6724271721   2.4160527584
O    3.2822860653  -1.8963649083  -1.9294110471
O    5.6599799525  -1.4415098649   2.0325046932
N   -2.3330103603   1.3358508191  -0.5748718467
N   -1.2810493895   1.5239300247  -1.3590237875
N   -4.1301968444   1.7536601701   0.6623444264
N   -0.3924489947  -1.0978733492   0.2932557212
N    1.1433345303  -0.8474384183   2.0142474102
N    2.1993771027  -1.3608475818   0.0079447952
N    3.3994863677  -1.1329502259   2.0241762520
C   -2.7314169892   0.1388369439  -0.0396065084
C   -1.0814580453   2.7499213700  -1.7544269409
C    0.1152535245   3.0040709358  -2.6130535989
C   -3.2082000596   2.2858113064  -0.1292295743
C    1.2049520148   3.7791645921  -1.8689050205
C   -1.9348110166   3.8268899585  -1.3795014252
C   -2.9989128522   3.6040394930  -0.5651784765
C   -3.8389034531   0.4585012680   0.7247084517
C    2.4016264966   4.0726021664  -2.7584509723
C   -0.1768454204  -0.8674604058   1.6267376448
C    2.2925168886  -1.1273709585   1.3060047137
C    3.3279275922  -1.6453555323  -0.6341265145
C    4.5181679665  -1.4129470647   1.3709836220
C    4.5536857978  -1.6886753941   0.0080382400
C    2.0207730285  -1.8852977476  -2.5915214761
C    5.6519209812  -1.1801664108   3.4334055566
H    0.5110252010   2.0500181259  -2.9651060015
H   -0.1961194737   3.5695540238  -3.4960312296
H    1.5223565567   3.2040955620  -0.9950296213
H    0.7968219403   4.7191157528  -1.4869036423
H   -1.7258211105   4.8200966869  -1.7521564594
H   -3.6736594834   4.3880050099  -0.2523260717
H    2.8581009331   3.1535259217  -3.1306828778
H    2.1158569569   4.6739047678  -3.6237131343
H    3.1690362614   4.6243559518  -2.2143877463
H    1.2831174531  -0.6661403036   2.9997177872
H    5.4711563825  -1.9240189462  -0.5114596685
H    1.5541480226  -0.9005897237  -2.5567743870
H    1.3416785954  -2.6329306163  -2.1814164136
H    2.2299555385  -2.1355821794  -3.6278176054
H    5.2968909675  -0.1733928182   3.6539887853
H    6.6861369164  -1.2729749363   3.7543438578
H    5.0420246533  -1.9025335521   3.9762036667
H    0.4282980773  -1.2359926211  -0.3127609311
*