! 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  -5.3661485598   1.1925562893  -0.4580639079
F   -0.9112062719  -2.7905327789   0.1623654636
F   -0.2885928262  -1.3784989329   1.6622244758
F   -2.2462138786  -2.2519247076   1.7533180263
O    2.2851995461   2.0439374270   0.5392455010
N    2.5366932287  -0.2799662972  -1.0610686682
N    0.2800765860  -0.4163024743  -0.9751504961
N    4.6771541480  -0.5386504204  -1.5223992430
C    1.2956177447   0.3241704195  -0.8478962773
C    1.3272854095   1.7853382979  -0.4407516210
C    1.9664649574   1.5029557474   1.8098902164
C   -1.0249529788   0.0201996005  -0.8228961607
C    3.1103630109   1.7633198280   2.7642234003
C   -1.8714277981  -0.6430036307   0.0769832886
C   -1.5606034280   1.0309930836  -1.6191139391
C   -3.2022694631  -0.2728293198   0.1942355595
C    2.7613374800  -1.6404575088  -1.1349227613
C    4.4069757458   1.0742766480   2.3646350004
C    3.7394007057   0.3284498824  -1.3067206500
C   -1.3294753828  -1.7643666121   0.9118267058
C   -2.8909513222   1.3953466553  -1.5137687215
C   -3.7027068867   0.7443798730  -0.6014343032
C    4.0808723238  -1.7722881928  -1.4094395359
H    0.3236070075   2.0806662834  -0.1136425216
H    1.5685027692   2.4004205128  -1.3121921975
H    1.7901178840   0.4207924020   1.7431957394
H    1.0402479127   1.9562569653   2.1872679922
H    3.2668237069   2.8412000715   2.8643925570
H    2.7920952952   1.4084292168   3.7477020962
H   -0.9339543457   1.5242277416  -2.3509820968
H   -3.8574098842  -0.7706117264   0.8950820563
H    1.9777503480  -2.3596008405  -0.9739785414
H    4.2646038160  -0.0024515241   2.2486094505
H    4.8029010800   1.4585502325   1.4246550683
H    5.1750622443   1.2216525678   3.1249861522
H    3.8641993224   1.3979939853  -1.3289989859
H   -3.2844603532   2.1819107758  -2.1430114002
H    4.6406515972  -2.6862502404  -1.5310195521
*