! 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  -2.7133985896  -3.4712494039  -0.2506498290
F    0.8458381468   1.0080939194  -1.0269693828
F    2.3487878978   1.6910002916  -2.3982179921
F    2.3007538258  -0.3720270360  -1.8091761359
F   -4.9921209732   1.6785403997  -0.0854906365
F   -3.2355817912   2.7475877380  -0.7162021195
F   -4.1427501191   1.2953100108  -2.0209785665
O    3.5497293480  -2.1294824506   0.5011623752
N    1.5226352373  -1.2859254087   1.0311903112
N   -1.2156547680  -0.1592626519   1.2982431854
C   -0.5312879791  -2.4204288950   1.7319387357
C    0.8277354618  -2.5562978142   1.0499454502
C   -1.4342476414  -1.4452023973   1.0387431952
C    3.3525726091   0.2276202595   0.7578242751
C    2.8196921063  -1.1781720324   0.7317005627
C    3.0508094733   1.1893354291  -0.2085227271
C   -2.4381583911  -1.8144447032   0.1419668593
C   -2.9778494640   0.4818149466  -0.1546336849
C   -3.2264840062  -0.8485283554  -0.4533670778
C    4.2205765754   0.5534447658   1.7931659848
C    3.5913550414   2.4666063130  -0.1069436272
C   -1.9480122666   0.7794222190   0.7235914215
C    2.1399321667   0.8776382187  -1.3595010079
C    4.7519252855   1.8290710946   1.8944070749
C    4.4327580417   2.7875454598   0.9456582838
C   -3.8341046904   1.5553085290  -0.7466271021
H   -0.9803380793  -3.4104476934   1.7833482536
H   -0.3864131786  -2.0818617147   2.7593939943
H    1.4170657533  -3.2919975510   1.5987458521
H    0.7051046871  -2.9376982977   0.0325209714
H    0.9957797572  -0.4579650078   1.2734740926
H   -4.0138906185  -1.1381282706  -1.1370964600
H    4.4712469375  -0.1940323022   2.5349703931
H    3.3664128953   3.2217925547  -0.8475211803
H   -1.7010841424   1.8007384481   0.9849720710
H    5.4158637494   2.0724299110   2.7131451891
H    4.8434277078   3.7855530432   1.0167760541
*