! 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  -1.1703157001   0.8072104718   2.9158739822
F    5.4415146012  -0.7164551917   0.4106181539
O   -0.3098288046   1.3714406299  -1.2733206224
N   -0.3673485165  -1.8112369441  -1.5263721858
N    0.1928932516  -2.9758330528  -1.1980369675
N    0.3202012544  -2.6409048401  -3.4072793823
C    0.0010255911   0.3112232335  -0.3873440032
C   -0.5819788882   1.5695739438   0.0984811971
C   -0.8820621030  -0.9094742425  -0.5224880585
C    1.4548496690   0.0456796195  -0.1802072861
C   -2.0066956569   1.6784339633   0.5051766062
C    1.8683810484  -0.7990648050   0.8468160473
C    2.4114695352   0.6258668343  -1.0048134519
C   -2.3824487950   1.3667094422   1.8072701323
C   -2.9899482240   2.1044175937  -0.3802782614
C    3.2126010875  -1.0587274365   1.0551388243
C    3.7622915196   0.3730597927  -0.8113546473
C   -0.2800411010  -1.6197914366  -2.8447883419
C   -3.6949403346   1.4747351644   2.2339622550
C   -4.3092358137   2.2200995904   0.0313720069
C    4.1375798716  -0.4666918098   0.2166459723
C   -4.6603515800   1.9069143855   1.3364312561
C    0.5878865390  -3.4393798642  -2.3558648603
H    0.0968821953   2.2593978397   0.5993033839
H   -1.9008757791  -0.6251603173  -0.7832240984
H   -0.9300522120  -1.4619973149   0.4140907643
H    1.1454009590  -1.2620531571   1.5061205192
H    2.1140460532   1.2820952026  -1.8114536844
H   -2.7201099480   2.3482695375  -1.3995440451
H    3.5334808151  -1.7117987797   1.8559256513
H    4.5068606006   0.8229841595  -1.4549008431
H   -0.6665493939  -0.7434440530  -3.3416256020
H   -3.9628158447   1.2215868179   3.2507994674
H   -5.0628836971   2.5550494553  -0.6686062824
H   -5.6883086190   1.9933432008   1.6621863119
H    1.0833443565  -4.3934990720  -2.4470655551
*