! 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    1.0068028456   1.6275308373  -1.6230480727
F    2.1576404037  -4.2274054029   1.5711751882
F    1.7039432009  -3.7439960536  -0.4764005068
F    0.4207354083  -3.0461787404   1.0998458633
O    0.9081832311   2.9504283324  -2.2017729769
O    0.9925529922   0.4688785906  -2.4970805700
O   -0.0505876032   3.2360320696   0.6409301575
O   -3.3391256173  -1.8035524802  -1.2285420235
N   -0.3020354385   1.3644686128  -0.6193148910
N   -1.9221360840   2.0047828616   0.9208970184
N   -3.9852038266   1.1370073264   1.3323918530
N   -2.5583670089   0.0678140933  -0.1980048198
N   -4.7048089337  -0.7979309777   0.2082817273
C    2.8095849418   0.4060206102   0.1121699709
C    2.0289699807  -0.8807716449   0.0069224622
C    2.4149955790   1.5824115122  -0.5475550204
C    2.5413928138  -2.0048129177   0.8976249539
C    3.9656963089   0.4897638899   0.8813582609
C    3.1274685951   2.7688311850  -0.4348543567
C    1.7078425144  -3.2505071269   0.7716237314
C    4.6935388168   1.6666736685   0.9904272253
C    4.2763729541   2.8113841761   0.3363010322
C   -0.7029152801   2.2684120310   0.3255159713
C   -2.8476750773   1.0307553737   0.6696092272
C   -4.8874303471   0.1965215166   1.0636222839
C   -3.5236045050  -0.8153502817  -0.3892318172
C   -6.1947551854   0.2918086216   1.7647365690
C   -2.0949128587  -1.9119213341  -1.9178974219
H    0.9877345843  -0.6761930944   0.2657625594
H    2.0365827915  -1.2101848981  -1.0325171686
H    3.5678097167  -2.2731684979   0.6405223068
H    2.5345467323  -1.7065630618   1.9480777474
H    4.3233377145  -0.3796363824   1.4142755305
H    2.7976775279   3.6616273572  -0.9456779308
H    5.5901184139   1.6819056819   1.5959454925
H    4.8335655981   3.7340159570   0.4214252311
H   -0.9294434379   0.5800843939  -0.8378990593
H   -2.2033440494   2.6914600925   1.6098518842
H   -6.7439843147   1.1621241397   1.4002818469
H   -6.8003554906  -0.5946425572   1.5967783855
H   -6.0472926097   0.4343572016   2.8349784669
H   -2.1913932500  -2.7817259669  -2.5613500292
H   -1.2684479524  -2.0770086572  -1.2253362226
H   -1.8971189121  -1.0356642128  -2.5355955845
*