! 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   1.3135064454  -2.6551282511   0.9636807322
F   -3.1513043801   3.1877744297   1.6377712411
O    0.0168224816  -0.3422183762  -2.5605351696
N    2.5234279277   1.3347580433  -0.4239852595
N    2.3665958286   2.5491191787   0.1055040922
N    3.6272757970   1.2704975833   1.4416981152
C    0.5300867608   0.2915873233  -1.4071621054
C    0.4304386509  -1.1747880799  -1.4967366165
C    1.8721360105   0.9568635171  -1.6526005663
C   -0.4540219168   1.0576884865  -0.5908476597
C   -0.6279957281  -1.9239490717  -0.7744457373
C   -0.4682244871   0.9406146824   0.7941129770
C   -1.3605848778   1.9082341977  -1.2119067965
C   -0.3184835368  -2.6573366392   0.3662505620
C   -1.9508186647  -1.9140858329  -1.2037352104
C   -1.3752487060   1.6594103301   1.5563977073
C   -2.2757928635   2.6349095495  -0.4656529505
C    3.2735622479   0.5805403125   0.3855525491
C   -1.2791042477  -3.3716967204   1.0617779673
C   -2.9260513746  -2.6205206296  -0.5176018270
C   -2.2645881977   2.4937160943   0.9080317530
C   -2.5905804032  -3.3521521710   0.6119967639
C    3.0466864639   2.4670335507   1.2197445042
H    1.3452480111  -1.7321430005  -1.6942075039
H    1.7362555270   1.8588157751  -2.2491436694
H    2.5307246725   0.2893493879  -2.2091701371
H    0.2226588706   0.2745297735   1.2961893523
H   -1.3651136035   2.0083732861  -2.2899750581
H   -2.2189444330  -1.3461597008  -2.0843025480
H   -1.3944289666   1.5658014897   2.6341609104
H   -2.9855747157   3.2959458592  -0.9454144365
H    3.5411834509  -0.4400313059   0.1609392315
H   -1.0087515024  -3.9337819938   1.9454435306
H   -3.9495573595  -2.5997696042  -0.8674141053
H   -3.3466511958  -3.9080579470   1.1502462937
H    3.1320029702   3.3018638294   1.8978530600
*