! 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  -4.7867388991   1.7687413530   0.6027736207
F   -2.5085676043  -2.2204253398  -1.7484833861
F   -0.4412463070  -1.6405546235  -1.8143378230
F   -1.1360899077  -2.9854393153  -0.2857802267
O    2.4241346734   1.6267871877  -0.0403043976
N    2.6858674210  -1.2066130002   0.5295731854
N    0.4611305954  -0.9061488272   0.8808557305
N    4.0256536733  -2.7497787519   1.3562967285
C    1.5036902689  -0.5025917318   0.2962517297
C    1.6010798982   0.6690329104  -0.6457622815
C    2.6566268510   2.7708486514  -0.8440724268
C   -0.7579280581  -0.2482289514   0.7640379126
C    1.4980168656   3.7535821084  -0.8532063080
C   -1.7555262839  -0.7213870996  -0.0960497425
C   -1.0322686176   0.8541189000   1.5690667247
C   -2.9937993537  -0.0964386521  -0.1463467386
C    3.9316190424  -0.9856212097  -0.0259854762
C    1.8338253213   4.9837473111  -1.6829278805
C    2.8152301201  -2.2897122720   1.3572601347
C   -1.4655769566  -1.8935097924  -0.9823364616
C   -2.2658993239   1.4776652074   1.5234592342
C   -3.2402944016   0.9970228883   0.6647593051
C    4.7331367076  -1.9446136098   0.4957504505
H    0.5946273786   1.0479070521  -0.8455380762
H    2.0062960308   0.3305406545  -1.6099461926
H    2.9069703528   2.4683310317  -1.8702100629
H    3.5447224348   3.2518225196  -0.4273372600
H    0.5957549896   3.2834068711  -1.2549895466
H    1.2695005049   4.0472228001   0.1746799084
H   -0.2733628986   1.2186550517   2.2485162237
H   -3.7672067872  -0.4505286529  -0.8135109530
H    4.1412577407  -0.1943205868  -0.7228164429
H    1.0123546153   5.7002719549  -1.6736109354
H    2.7189266697   5.4955976005  -1.3001168235
H    2.0284311164   4.7242914433  -2.7254250597
H    1.9823652798  -2.6793100115   1.9192240891
H   -2.4586318940   2.3335226412   2.1558319553
H    5.7825100341  -2.1009337058   0.3016555172
*