! 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   0.7159951162   0.4030601818  -2.7881829958
Cl   3.7219661044  -2.7678754819   0.2973538059
O   -0.9012963580   1.9075679627   1.0256611511
N   -2.3434758928  -0.5465981975   0.2612836392
N   -3.0342396700  -1.5948664638   2.0722412208
C   -0.7274333856   1.2670082102  -0.2111191177
C   -2.0120455208   0.5374502996  -0.6299396735
C    0.4217078093   0.2984068038  -0.0875827299
C    1.1114176930  -0.1744306816  -1.1996969735
C    0.7884796671  -0.2163362935   1.1527725365
C   -1.9869205491  -1.8585380121   0.1112881627
C   -2.9594240910  -0.4426253762   1.4599311447
C   -1.4839195337   3.1979442530   0.9559194993
C    2.1280244164  -1.1116843770  -1.0998648745
C    1.7969450611  -1.1546068486   1.2859431043
C    2.4593120776  -1.5955022328   0.1532437366
C   -2.4263654470  -2.4890495799   1.2373793050
C   -0.5473492451   4.2050554892   0.3675463250
C   -0.8452110448   4.9710229783  -0.6739882632
H   -0.5040026439   1.9983603513  -0.9983394127
H   -2.8457718628   1.2406269814  -0.6608538087
H   -1.9075082191   0.1405404481  -1.6387732111
H    0.2778409636   0.1183604760   2.0444373846
H   -1.4716201016  -2.2198492357  -0.7634102532
H   -3.3481654917   0.4954228863   1.8255524613
H   -2.4319175307   3.1893500001   0.4034720389
H   -1.7213371469   3.4631136075   1.9888196009
H    2.6487419097  -1.4534156457  -1.9834309548
H    2.0558407154  -1.5361294687   2.2638534007
H   -2.3400490842  -3.5356988206   1.4853931365
H    0.4207980294   4.2993118946   0.8512313854
H   -0.1480352630   5.7064290935  -1.0551179588
H   -1.8012436304   4.9004644268  -1.1808489737
*