! 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  -0.7441458493   0.9925239996  -2.8388918189
Cl  -3.0500404058   3.5628609202   1.2362908785
F    4.0709951990  -1.2134402748   0.0885367405
F    3.0194561712  -0.2790258206  -1.5473374911
F    3.9556614023   1.1387431933   1.5226601432
F    2.8727781699   2.0774700331  -0.1265133491
O    2.0099098452  -0.4382137470   0.4445786025
N   -1.6558320117  -2.8141160523   0.0186102193
N   -1.1343021988  -3.5627278222   0.9938559586
N   -3.2856196410  -3.1181949935   1.4181870538
C    0.0672759395  -1.1876991537  -0.7962598994
C   -0.8617570722  -2.3714515995  -1.1015689905
C    1.2082199189  -1.5871572781   0.1332721939
C   -0.7035365007   0.0089838026  -0.2991457089
C   -1.1122147982   1.0389892287  -1.1439143365
C   -1.0702997527   0.1172731997   1.0409576262
C    3.1589291988  -0.2458309834  -0.1946210511
C   -1.8291203604   2.1351063054  -0.6878478719
C   -1.7928553439   1.1922720507   1.5274968084
C   -2.9374215143  -2.5531037253   0.2874050065
C   -2.1616199881   2.2002422648   0.6530458462
C    3.7585374514   1.1075208221   0.1859229687
C   -2.1460232307  -3.7198890285   1.8098526984
H    0.5130570838  -0.9472769313  -1.7620950232
H   -1.5491602364  -2.0896341166  -1.8977005140
H   -0.2810573753  -3.2195457309  -1.4646355209
H    0.8591480453  -1.9689859980   1.0905833616
H    1.7966517983  -2.3830906544  -0.3281309409
H   -0.7799395293  -0.6530642245   1.7440458363
H   -2.1179995782   2.9231181672  -1.3694475954
H   -2.0566493758   1.2403052146   2.5747859703
H   -3.5668653309  -1.9634102287  -0.3606421935
H    4.7032269131   1.2954567345  -0.3268714795
H   -2.0621421025  -4.2971779014   2.7175461323
*