! 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  -1.4050074106   0.1110384811  -2.8221452296
Cl  -4.7368107291   3.1043278910   0.0849916066
F    4.1595317081   1.4993437252   0.0938220098
F    3.5199009722   0.2390460085   1.7270729253
F    5.1474598803  -0.7302248302  -1.2241852343
F    4.5096931114  -1.9727818518   0.4567572366
O    2.6653688970  -0.1087137839  -0.3056995905
N   -0.8909384948  -2.0308120339   0.9725109065
N   -1.3452377941  -2.6914602394  -0.0913891052
N   -2.7713744251  -2.8913341250   1.6220140995
C    0.2758125602  -0.2373688777  -0.2245178082
C    0.3328449539  -1.2684540628   0.9077268950
C    1.4797291820   0.6939448342  -0.1890594692
C   -0.9819836778   0.5943796055  -0.1751308479
C   -1.8005404970   0.8004532357  -1.2831050335
C   -1.3648057318   1.2126400821   1.0138017005
C    3.7479037562   0.2398952775   0.3868298364
C   -2.9540409861   1.5686645817  -1.2162092084
C   -2.5083150075   1.9844727855   1.1143723859
C   -1.7507519637  -2.1508709214   1.9846044739
C   -3.2985160467   2.1513879411  -0.0102279473
C    4.8962433763  -0.7268456004   0.1028436860
C   -2.4727982183  -3.1933671112   0.3446291732
H    0.3036287246  -0.7892838377  -1.1647284388
H    1.1658414338  -1.9521919460   0.7488495911
H    0.4771883307  -0.8019702423   1.8821888437
H    1.4430331884   1.3858114618  -1.0321385491
H    1.4830244655   1.2841250869   0.7304060004
H   -0.7543173821   1.0941123804   1.9006898062
H   -3.5710511234   1.7069780688  -2.0931114790
H   -2.7738175101   2.4445342134   2.0558883119
H   -1.5913805540  -1.6943655907   2.9488004543
H    5.8027057589  -0.4564122336   0.6465858274
H   -3.1053478366  -3.8005219409  -0.2843168517
*