! 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   2.1328221780   3.4918751680  -1.9180881110
Cl   0.8477818451   4.7487380301   0.6639069511
F    4.9034938908  -3.2484735962   0.2651509575
F   -1.5935231375  -0.2029673880  -2.2447107622
F   -1.3889750557   1.1560714618  -0.5544342618
O   -1.5477602670  -3.5069325202   0.7824121750
N   -0.3615621470  -1.6206245824   0.3192358548
N   -4.9078530682  -1.1624313646   0.3520084348
N   -4.4120457258  -0.1983262261  -0.4094694045
C    1.9844106354  -1.1245293836   0.3907123808
C    0.9588472622  -2.0844880859   0.3524230399
C   -2.7638877964  -1.5827543229   0.2514079070
C    1.6878506812   0.3263090124   0.4596571777
C   -3.1175396330  -0.4258655733  -0.4831081997
C   -1.5104212708  -2.3275755589   0.4708049282
C   -3.9696405726  -2.0195620055   0.7625349926
C    3.3135767192  -1.5267390552   0.3478576204
C    1.3006647894  -3.4361911055   0.2924004006
C    1.9968271351   1.1456025874  -0.6194732541
C    1.1167176371   0.8906173615   1.5979395589
C    3.6166515931  -2.8698899998   0.2909456858
C    2.6294415219  -3.8297290456   0.2643500646
C   -2.3095477321   0.4924812405  -1.3217217392
C   -6.3228348235  -1.2156150130   0.6466499297
C    1.7418114729   2.5061819871  -0.5626047797
C    0.8614297992   2.2490307714   1.6561605961
C    1.1716453882   3.0615093329   0.5768082818
H   -0.4569214983  -0.6230296083   0.2077735149
H   -4.2017293793  -2.8670427255   1.3871325019
H    4.1051329062  -0.7886362887   0.3750800835
H    0.5398639116  -4.1976929766   0.2567621672
H    2.4314197043   0.7216512833  -1.5150964442
H    0.8793879328   0.2715511121   2.4533763919
H   -2.9280675851   1.2332653350  -1.8283030105
H    2.8817507440  -4.8807383712   0.2170352714
H   -6.7494597594  -2.1474896017   0.2819446602
H   -6.4903402749  -1.1380571602   1.7186573695
H   -6.8081684956  -0.3825571144   0.1486293893
H    0.4240578409   2.6805096356   2.5459381258
*