! 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  -2.8340905676  -2.4827088364   1.1266613509
Cl  -5.2923609233  -0.9518703937   1.1041852380
F    3.1047400151  -2.9675146247  -1.4795859133
F    4.4807176525  -1.7742154681  -2.6768775923
O    1.3004871980   0.5561341685  -1.3991222369
N    1.0981995272   1.2520140881   0.7436301695
N    4.9806133298  -0.3611645982   1.0344544743
N    4.9481043002  -1.1529646584  -0.0270207666
C   -1.5951546076   0.0623205885  -0.4850546521
C   -3.5260395867   1.2711075767  -0.5010696303
C   -1.8791265913   0.2849154425  -1.9964269924
C   -3.2014412898   1.0935805728  -2.0064038550
C   -3.0171885916  -0.0546583423   0.0112849723
C   -1.2681584241   1.4154498666   0.1000019839
C   -2.4537902693   2.1606136836   0.0807802543
C   -0.1090893443   1.9685060962   0.6145253285
C   -2.5060889828   3.4549969500   0.5514251091
C   -3.6295842395  -1.0277881120   0.6533606912
C   -0.1611414861   3.2772709358   1.1054537588
C   -1.3375191603   4.0070012776   1.0745197808
C    1.7505386727   0.6334687453  -0.2670454849
C    3.0582413406   0.0599625293   0.0886280882
C    3.7980167835  -0.9101100826  -0.6191925253
C    3.8778980285   0.3840179164   1.1533082369
C    3.4184161592  -1.6855100712  -1.8319790101
C    6.1372861784  -0.3412919925   1.9027515187
H   -0.9123783495  -0.7501938594  -0.2562984192
H   -4.5519261709   1.5495878026  -0.2750556462
H   -2.0011333545  -0.6765922640  -2.4960995877
H   -1.0552155341   0.8066692017  -2.4770351245
H   -3.1122216053   2.0550542385  -2.5118926497
H   -4.0022137430   0.5369360982  -2.4945419987
H   -3.4273449332   4.0233698816   0.5381669343
H    0.7355552776   3.7207663656   1.5208699112
H   -1.3455216559   5.0153592298   1.4672692779
H    1.5477734967   1.3073858458   1.6436485850
H    3.7670541110   1.0955026864   1.9566432557
H    2.5756266346  -1.2616580378  -2.3712507163
H    5.8443410981  -0.5610920834   2.9268688873
H    6.6227022887   0.6319147900   1.8678314901
H    6.8338839767  -1.0997457726   1.5608671231
*