! 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
S   -2.3134364986  -1.5831107835   0.3054036650
O   -1.5250268888   0.8724114531  -1.0852211694
O   -2.9237817751  -2.4163325048   1.3205422160
O   -2.1422133612  -2.1090028612  -1.0364916221
O    1.3003948826   1.6690724947  -0.8912636015
O   -1.2888726840  -0.1049237296   2.6836812872
O    2.7507047802  -1.9056744161  -1.7815529077
O    5.1344746065   0.7735102790   0.9246753650
N   -0.7622014691  -1.1976369913   0.7647284806
N    0.8622614832  -0.0906319199   1.9917781303
N    3.0338970231   0.3316231893   1.4706196986
N    1.7647881565  -1.0936261198   0.0977949363
N    3.9802985133  -0.5846179527  -0.4874714665
C   -3.1951190667  -0.0574287436   0.2533703541
C   -2.7242245188   1.0139261614  -0.5198643935
C   -4.4097662423   0.0146054825   0.9202364189
C   -3.5217655653   2.1514441609  -0.6245581820
C   -0.9542684233   1.9546161778  -1.8092732634
C   -5.1882493047   1.1537320949   0.8144873315
C   -4.7394130589   2.2097238361   0.0362702062
C    0.5070197652   1.6528900061  -2.0494958131
C   -0.4666633880  -0.4524095342   1.8661623011
C    1.9199663357  -0.2971349713   1.1509931193
C    1.5759505092   2.9556045337  -0.3938913962
C    2.8177373598  -1.1797507402  -0.6927192491
C    4.0270646502   0.1456791156   0.6107777343
C    1.5359171009  -2.5931651867  -2.0813403290
C    6.2660247143   0.6455198641   0.0651270619
H   -4.7502484139  -0.8170523017   1.5209394647
H   -3.2115357437   2.9966766137  -1.2224288613
H   -0.0015107204  -1.3917568342   0.1000260116
H   -1.0683451535   2.8925505080  -1.2578430664
H   -1.4590745602   2.0723291590  -2.7731797223
H   -6.1359180365   1.2117214717   1.3310125254
H   -5.3425004956   3.1027783374  -0.0618337898
H    0.6081624994   0.6607685964  -2.4965851359
H    0.8722215252   2.3748124192  -2.7920872826
H    1.0616876474   0.4965064243   2.7917089137
H    0.6894377061   3.4666221978  -0.0025897498
H    2.2827656746   2.8491414822   0.4281775959
H    2.0311585194   3.6005091406  -1.1551519952
H    0.7113836446  -1.9000364467  -2.2519806704
H    1.2686775478  -3.2983089030  -1.2946165213
H    1.7287853045  -3.1406943292  -2.9995007233
H    6.6011720691  -0.3889586360  -0.0045606050
H    7.0478397664   1.2471421683   0.5205564865
H    6.0550263947   1.0248767507  -0.9343127065
*