! 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  -0.8012178633   0.7507135932  -2.5098927266
Cl  -4.7881285171   3.1393392911   0.1233827663
F    3.5958340844   0.9991747191  -1.1529049682
F    3.9643183404   1.3083518956   0.9515532816
F    4.4918094375  -1.5942778612  -0.9483479773
F    4.8814470996  -1.2820300621   1.1787715234
O    2.4982312120  -0.2564945910   0.3308715352
N   -1.0513847885  -2.4123034097   0.9759552793
N   -2.1741649522  -2.3349427712   1.6922906967
N   -2.3647793799  -3.9057008585   0.1095155011
C    0.1162765418  -0.3773174505   0.2031299291
C    0.0682417951  -1.5285666236   1.2109376723
C    1.3088563458   0.5343262652   0.4668023599
C   -1.1290468913   0.4766837490   0.1789852916
C   -1.6111033595   1.0376885155  -1.0032881193
C   -1.8168212634   0.7928953800   1.3478035250
C    3.6461451672   0.3534289493   0.0407137383
C   -2.7321168895   1.8525502131  -1.0371204575
C   -2.9361921870   1.6068216400   1.3500277237
C   -1.1798599568  -3.3489419214   0.0337842785
C   -3.3882727852   2.1262722768   0.1494299372
C    4.7873869084  -0.6610613891  -0.0172364919
C   -2.9310926599  -3.2478202614   1.1392717361
H    0.2566580307  -0.8205338787  -0.7857105709
H    0.9825616495  -2.1152957909   1.1358614443
H    0.0012152962  -1.1790556419   2.2399385371
H    1.3016753845   1.3608314321  -0.2462923973
H    1.2598108491   0.9538968859   1.4748903140
H   -1.4822972375   0.3942792855   2.2952384665
H   -3.0818173967   2.2653071001  -1.9730950316
H   -3.4459460727   1.8252358992   2.2778810634
H   -0.3947249437  -3.5942481617  -0.6648327269
H    5.7412443540  -0.1910698672  -0.2608883713
H   -3.9293551604  -3.4500444602   1.4955621591
*