! 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  -4.6391846115   1.6845867608   0.9633661919
F   -0.6891370377  -2.5335896661  -0.8313445973
F   -1.9706284563  -1.4321892144  -2.1554907659
F    0.0692636012  -0.8206056150  -1.8844987278
O    1.0985945645   1.7821858922   0.0262230024
N    2.8925478976  -1.2897028583   0.7145049279
N    0.6959485669  -0.8199952356   0.9968122977
N    4.0015355649  -3.1082449660   1.2816155612
C    1.8072266665  -0.4136875945   0.5735191496
C    2.1518324285   0.8883162177  -0.0993864256
C    1.3016129175   2.9945444097  -0.6836439744
C   -0.5230819961  -0.1667645703   0.9405367714
C    0.8622719353   2.9141287661  -2.1348304631
C   -1.4211797465  -0.4164231101  -0.1029868372
C   -0.9407171236   0.6289508907   2.0055421006
C   -2.6867134482   0.1580811175  -0.0957225923
C    4.1839726442  -1.1248607270   0.2531584910
C   -0.6367396200   2.7159856673  -2.2923311240
C    2.8509644647  -2.5136320436   1.3237466900
C   -1.0077419818  -1.2991858112  -1.2386886885
C   -2.1974181271   1.1991117297   2.0166633332
C   -3.0634413099   0.9661155483   0.9589755934
C    4.8426948311  -2.2530316001   0.6135666110
H    2.4069642306   0.6659277097  -1.1457062169
H    3.0647676744   1.2881432223   0.3641976538
H    2.3530355372   3.3012550775  -0.6174950847
H    0.7150464024   3.7538595463  -0.1602455230
H    1.1655838745   3.8459824782  -2.6202076978
H    1.4080320431   2.1192769747  -2.6521551505
H   -0.2656963437   0.8035808324   2.8324945029
H   -3.3797631373  -0.0189424696  -0.9063061223
H    4.5195748543  -0.2536948756  -0.2815806875
H   -1.1899720418   3.5692223346  -1.8944885309
H   -0.9151297640   2.6046818420  -3.3410530736
H   -0.9833316161   1.8295203381  -1.7626949249
H    1.9499119956  -2.8943756828   1.7753592036
H   -2.4969236760   1.8231521139   2.8478236374
H    5.8764569935  -2.4983286898   0.4279663812
*