! 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  -7.5406683240  -1.4513070732  -1.4129722251
F    2.4969474033  -2.8271732687   0.8066786048
F    3.1322763514  -1.8688748216  -0.9887869287
F    3.5644107893  -0.9959267859   0.9466018333
O    3.2840817435   0.8220804491  -0.9711393440
O   -2.0983860828  -2.0660252996   0.6574366537
N    3.6840543380   3.1083473120   0.9025952185
N    4.8383101847   2.8635190001   0.2751978634
N    4.7522533804   4.9954547153   0.9346995733
C    2.2425420810   1.4979013077  -0.3171550548
C    1.1312864189   0.4854067041  -0.0328391166
C    2.6878927752   2.0708166618   1.0467773590
C    1.7634917227   2.6364320963  -1.2269478216
C    1.3043377766  -0.8951301390   0.1842194568
C   -0.1704091114   0.9765092934   0.0537328639
C    0.1905562896  -1.7094438733   0.3757321513
C   -1.2753496157   0.1788494378   0.2842398840
C   -1.0890959697  -1.1850838773   0.4156603345
C    2.6326869433  -1.6222174633   0.2239830864
C    3.6439831297   4.3837940752   1.2848396393
C    5.4453115958   4.0244647678   0.3155069498
C   -3.3485281853  -1.8596453938   0.1462162212
C   -4.4224198568  -2.1758104164   0.9644634550
C   -3.5594178111  -1.4223542214  -1.1548618100
C   -5.7165298824  -2.0578778018   0.4834520712
C   -4.8539807140  -1.2906194719  -1.6314948030
C   -5.9241793916  -1.6090256213  -0.8104978461
H    1.8356528292   2.5119056480   1.5615729490
H    3.0892065261   1.2875356623   1.6879229543
H    1.0609672583   3.3182461461  -0.7486206904
H    2.6165308606   3.2356959077  -1.5498586670
H    1.2913348351   2.2357463686  -2.1246598501
H   -0.3499623135   2.0351773081  -0.0633121734
H    0.2961191503  -2.7764091813   0.5105304568
H    4.1009780494   1.3338131899  -0.8636031104
H   -2.2558302916   0.6315701134   0.3501916847
H    2.8060155716   4.8127140339   1.8117103608
H    6.4239059759   4.1710591382  -0.1143263734
H   -4.2509003615  -2.5219779013   1.9751827675
H   -2.7304088703  -1.1903967843  -1.8107491172
H   -6.5516511054  -2.3092830484   1.1225708658
H   -5.0178083383  -0.9504475396  -2.6446895221
*