! 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  -5.1649410894   1.3299996399   0.7094391283
F   -2.3768554550  -1.8822354571  -2.2048536379
F   -0.3767599448  -1.1216314954  -2.0251808935
F   -1.0056328225  -2.7923679523  -0.8264718112
O    2.1593287808   1.8691788052   0.3266105315
N    2.5516804102  -0.9870896057   0.5671771473
N    0.3062264864  -0.8626976496   0.8441888022
N    4.6916698716  -1.5002883597   0.4334953342
C    1.3400002813  -0.3293037357   0.3576723839
C    1.4041997864   0.9580026641  -0.4253989477
C    2.0939079955   3.2017251354  -0.1570749443
C   -0.9591903247  -0.2971921151   0.7542359156
C    2.9507189089   3.4609904451  -1.3841119792
C   -1.8566079553  -0.6728108587  -0.2526751174
C   -1.3897514282   0.5865050304   1.7409318833
C   -3.1496980622  -0.1675241500  -0.2652598215
C    2.7311881975  -2.1237287162   1.3302967030
C    4.4410665568   3.2892645552  -1.1359473793
C    3.7791815992  -0.6637741240   0.0537443128
C   -1.4096802012  -1.6196557929  -1.3237971843
C   -2.6767562085   1.0920277633   1.7308415377
C   -3.5500723320   0.7103271098   0.7257854436
C    4.0498382828  -2.4160489111   1.2338455535
H    0.3863266763   1.3265498250  -0.5923904256
H    1.8340390330   0.7615790618  -1.4162482856
H    2.4324794743   3.8313857271   0.6691796529
H    1.0504459886   3.4727107099  -0.3633005611
H    2.6289649576   2.8300885068  -2.2184622543
H    2.7488046150   4.4886184766  -1.6989282792
H   -0.7097721796   0.8688512674   2.5336238460
H   -3.8476009029  -0.4497015661  -1.0409790758
H    1.9209768257  -2.5996768650   1.8535841609
H    5.0158504559   3.4820659026  -2.0425724518
H    4.7956886781   3.9807464725  -0.3687760849
H    4.6917272761   2.2804574559  -0.8051809994
H    3.9384306266   0.1808697197  -0.5955905618
H   -2.9910829526   1.7775333983   2.5062215633
H    4.5783457921  -3.2356147455   1.6948351424
*