! 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  -1.6952293336  -2.2652371386  -1.4679502403
F    2.9831529597  -1.1765582006  -0.6988764098
F    4.9990574059  -1.8692644038  -0.9438047784
F    4.1745583291  -1.6777694937   1.0254425845
F   -6.4854864747   0.4042886848   1.5208151153
F   -6.7627001109   0.1922699966  -0.6003296831
F   -6.4817376423  -1.5519748774   0.6220437362
O    2.1983236794   0.4515215751   1.6737085908
N    1.5117919484   1.7459622948  -0.0483777099
N   -2.5910510853   1.0440736215   0.4764851955
C   -0.4405477871   0.2926250974  -0.3624702964
C    0.0935151682   1.6035533648   0.2051099659
C   -1.9127563160   0.1026119321  -0.1634810656
C    3.8583785107   1.3635176220   0.2390311835
C    2.4444126945   1.1270994214   0.6866938596
C    4.7118527578   0.3157162304  -0.1188714906
C   -2.5731173820  -1.0370662980  -0.6346818070
C   -4.6083753726  -0.1906582570   0.2423407822
C   -3.9281116209  -1.1919840001  -0.4363540682
C    4.3484577423   2.6633686027   0.2545183675
C    6.0360467511   0.5825167782  -0.4401077206
C   -3.8931961384   0.9122470449   0.6773607898
C    4.2159863492  -1.0998463715  -0.1788674143
C    5.6752008370   2.9239843530  -0.0574422167
C    6.5193520302   1.8824472727  -0.4010421943
C   -6.0847700891  -0.2874604549   0.4511228199
H   -0.2149558353   0.2405359614  -1.4320010261
H    0.0887969966  -0.5485308437   0.0942241358
H   -0.4074239307   2.4543366133  -0.2529761892
H   -0.0881541284   1.6668189667   1.2771159227
H    1.7939868035   2.2043487769  -0.9004657499
H   -4.4334972102  -2.0758923897  -0.8028777108
H    3.6945712748   3.4805130339   0.5315894622
H    6.7063381621  -0.2155727416  -0.7280929742
H   -4.3755287507   1.7240585035   1.2082988431
H    6.0445001690   3.9405343187  -0.0300009029
H    7.5550241525   2.0744563067  -0.6470615736
*