! 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   -2.4072855878  -0.1300628723  -1.6576863955
F    0.3641662244   4.3130945469   0.8376370820
F    0.1313728442   3.1909642435  -0.9947838632
F    7.0536245040  -1.5214875609   0.3913888087
F    5.2791853198  -2.4115888289   1.2489674968
O   -2.7002190638  -0.6122062324  -2.9878468800
O   -2.6844958151   1.2483325844  -1.3039381127
O   -3.6034453063   1.2349841457   1.9639245196
O   -1.5337906998   0.6007642358   1.4067034120
O   -0.6648890516  -2.5139864885  -1.8538505090
O    1.8646861047   2.8388396432   0.3654402918
O    5.2807174804  -0.3044481029   0.5332314591
N   -0.7767263367  -0.3028479877  -1.3587580203
N    1.1840545107  -1.5118043499  -1.0433885989
N    1.4842412758   0.6874633221  -0.3299137487
N    3.2204692248  -0.9008789084  -0.2537534184
C   -3.2123018632  -1.1913949573  -0.4853069810
C   -3.3769490233  -0.7894020131   0.8414774423
C   -3.7625856548  -2.3748400518  -0.9498565941
C   -4.1083833568  -1.6016653246   1.6964743591
C   -4.4712291877  -3.1855796999  -0.0755295836
C   -4.6434089905  -2.7991792445   1.2424425533
C   -2.7264193780   0.4282156385   1.4105093722
C   -0.1340730344  -1.5039290947  -1.4510424593
C    1.9802006230  -0.5251386179  -0.5227116047
C    2.3120480111   1.5938802912   0.1614153201
C    4.0172395638   0.0241833525   0.2352759342
C    3.6306168162   1.3326810306   0.4743143840
C   -3.1023167107   2.4092673949   2.6103158583
C    0.5143015166   3.1019532297   0.2933118746
C    5.7219465886  -1.5854243048   0.2834104862
H   -3.6525451571  -2.6676091144  -1.9837634456
H   -0.2827726248   0.4859081125  -0.9345825234
H   -4.2495356234  -1.3108340305   2.7288937100
H   -4.8938459843  -4.1142536211  -0.4332890792
H   -5.2004564881  -3.4265782761   1.9248627317
H    1.6391676256  -2.4101203388  -1.1455978094
H    4.2974506802   2.0797875689   0.8781260619
H   -2.3956590665   2.1588134433   3.4006854471
H   -3.9683287453   2.9022466438   3.0414534449
H   -2.6292568859   3.0802122077   1.8930549659
H   -0.1034489238   2.3727731086   0.8169113546
H    5.4394220457  -1.9736036954  -0.6939831454
*