! 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   3.2879468851   1.7635624659  -0.5660494685
Cl   2.5912253641   1.4383093116   2.2095382534
Cl   5.1784552226   0.6039452172   1.2721049593
Cl  -3.1675189677   1.2415075849  -2.0381874546
Cl  -5.2120295665   0.0449199940  -0.4143358398
Cl  -3.0593269216   1.4947279648   0.8219804601
O    4.6021142552  -2.9759576541   0.8556694198
O   -4.0673094074  -3.4170015935  -0.3866199754
N    1.4864819091  -0.6266415881   0.3269637508
N   -1.2697993628  -0.8365531191  -0.1688191987
N    3.6711755258  -1.3498542159  -0.4423741909
N   -3.0111684460  -1.7446978287  -1.5171735781
C   -0.7662326641  -0.7890116157   1.1899164483
C    0.6361258685  -1.3649503847   1.2412723151
C   -0.4061944738  -0.1743432325  -1.1232005302
C    1.0031312798  -0.7368535671  -1.0338885963
C    2.8913622199  -0.7049024996   0.5749059978
C   -2.6703289298  -0.9302247924  -0.3812511490
C    3.4618766132   0.7160860336   0.8539068382
C   -3.4758798351   0.4071120210  -0.5024890416
C    4.4700983264  -2.4110459386  -0.2105538165
C   -3.6713970683  -2.9141168166  -1.4187333990
H   -1.4200426188  -1.3749298775   1.8386484002
H   -0.7261560571   0.2302032093   1.5922715569
H   -0.7623583521  -0.3410923347  -2.1401513926
H   -0.3612076467   0.9112766744  -0.9630557337
H    0.6120933890  -2.4393238125   1.0041657647
H    1.0111729998  -1.2606619176   2.2599016099
H    1.6249458707  -0.1641800021  -1.7210899069
H    0.9990672645  -1.7797068528  -1.3831638401
H    3.0647970093  -1.2594109604   1.4995011779
H   -3.0947152301  -1.4179324259   0.4985699404
H    3.6836005936  -0.9676405621  -1.3757933229
H   -2.7264829353  -1.4551410579  -2.4404327295
H    4.9983455305  -2.7249116352  -1.1207626194
H   -3.8186854015  -3.3797712471  -2.4026952224
*