! 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  -1.0557732103   0.5857246457  -2.9788660240
Cl  -3.0748786729   3.4931218056   1.0244521108
F    3.9670993066  -0.8592732110  -0.7495776944
F    2.5283237960   0.6210344750  -1.3777703659
F    4.4444855730   0.5751579700   1.5589992300
F    2.9863345683   2.0692063390   0.9133148107
O    2.1712715481  -0.4978766974   0.5303853725
N   -1.5594616960  -2.7031704975   0.0658991963
N   -1.1081809209  -3.3801040721   1.1248349589
N   -3.2282867767  -2.7425204798   1.4526578756
C    0.2258619102  -1.2031212891  -0.8315137102
C   -0.7130971100  -2.4002300295  -1.0620382844
C    1.3730397747  -1.6041684941   0.0938441195
C   -0.5569870856  -0.0022496707  -0.3691133331
C   -1.1912695034   0.8518048180  -1.2693951383
C   -0.7461076107   0.2662212218   0.9847963210
C    3.0794854956   0.0505469886  -0.2735390696
C   -1.9649863325   1.9268449739  -0.8593371228
C   -1.5124624519   1.3294411855   1.4286303236
C   -2.8215247322  -2.3238296607   0.2782388947
C   -2.1146438817   2.1562288691   0.4963637036
C    3.8559434055   1.1324067238   0.4767455668
C   -2.1427711477  -3.3817767933   1.9275338779
H    0.6481277873  -0.9978289004  -1.8159445729
H   -1.3631882359  -2.1892903792  -1.9093836650
H   -0.1398857013  -3.2928267745  -1.3134510316
H    1.0135212716  -2.0531445933   1.0173385466
H    1.9865617979  -2.3579679249  -0.4040906232
H   -0.2908535223  -0.3685600097   1.7329534835
H   -2.4413555385   2.5690622914  -1.5868836133
H   -1.6340844805   1.5044389986   2.4883692101
H   -3.3955726524  -1.7621392571  -0.4421768600
H    4.6153424497   1.6019002582  -0.1506644972
H   -2.1132392599  -3.8650448198   2.8917435793
*