! 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  -0.3593919509   2.9954251957   1.9434635038
Cl   1.3330616275   5.0461126478   0.2556792837
F    5.2558438589  -3.0808889702   0.2239152242
F   -3.9906119759  -2.9850772807   1.1591924711
F   -3.7010058320  -3.4220648607  -0.9611881596
O   -1.0681804296  -2.7698074347   0.4517693037
N    0.1515504858  -1.2529202193  -0.7165498902
N   -3.4609335747   0.8951189657  -0.5925438792
N   -4.2933816520  -0.1247674672  -0.4386412991
C    2.4546761952  -0.8285076207  -0.1164290951
C    1.4410059222  -1.7408397003  -0.4406961397
C   -2.1675581276  -0.8531655598  -0.3676008390
C    2.1813655850   0.6218776726  -0.0097343146
C   -3.5356122193  -1.1892091242  -0.2856418337
C   -1.0015681791  -1.7278118709  -0.1720618398
C   -2.1799094427   0.5137474015  -0.5665751284
C    3.7508118232  -1.2927855172   0.0881718068
C    1.7336295787  -3.0977784049  -0.5275002875
C    1.1785715990   1.0962786229   0.8327183333
C    2.9268122447   1.5388168298  -0.7457311759
C    4.0063941003  -2.6449538576   0.0062624551
C    3.0178721233  -3.5599598838  -0.2922161464
C   -4.2034379342  -2.5018493773  -0.0940788166
C   -3.9671312018   2.2298439412  -0.8195297715
C    0.9123161449   2.4527091061   0.9157976849
C    2.6703777066   2.8962164475  -0.6550493033
C    1.6573692090   3.3596596030   0.1690435713
H    0.1010569716  -0.4111410803  -1.2693964181
H   -1.3806230286   1.2294081048  -0.6806437877
H    4.5470672921  -0.6035474976   0.3396666287
H    0.9640241963  -3.8027217612  -0.8043995770
H    0.6071474398   0.4115566617   1.4454299940
H    3.7070242138   1.1950129219  -1.4120603685
H   -5.2802482161  -2.4233607461  -0.2533718453
H    3.2439322097  -4.6158512995  -0.3588285269
H   -4.9568723993   2.3092528832  -0.3806383298
H   -3.3116304259   2.9555095447  -0.3449283558
H   -4.0263665704   2.4436307550  -1.8853602896
H    3.2536056464   3.5967091028  -1.2370161855
*