! 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   0.5387468506  -1.1306492404  -2.2766597596
Cl   5.2252776565  -0.6524658877   0.2593604380
O   -1.0961733731   1.2659087192   1.0247766605
N   -2.8597568755  -0.9743211366   0.6021482356
N   -4.9218565761  -0.4843959860   1.2029595852
C   -0.7406459654   0.2030040395   0.1772749987
C   -1.4232097499  -1.0809507674   0.6649757615
C    0.7547261040  -0.0005789752   0.1840797143
C    1.4205657186  -0.6049904442  -0.8779660331
C    1.5193300204   0.3792918598   1.2832709419
C   -3.6286712065  -1.0872607528  -0.5235775243
C   -3.6838450559  -0.6005632963   1.6055351466
C   -2.0000185253   2.2028234692   0.4848668080
C    2.7911455761  -0.8105000445  -0.8720124765
C    2.8892399530   0.1827782225   1.3220702813
C    3.5144936830  -0.4082913817   0.2370157475
C   -4.8994118826  -0.7856546155  -0.1288777489
C   -1.3789898171   3.2221516168  -0.4147108951
C   -0.0859515649   3.3795639731  -0.6647559785
H   -1.0668975564   0.4083997763  -0.8491417978
H   -1.1036951373  -1.9366780151   0.0700626322
H   -1.1333615130  -1.2802691640   1.6972979451
H    1.0387853344   0.8482306247   2.1310097650
H   -3.2182193498  -1.3766473342  -1.4774165020
H   -3.3232871013  -0.4356310725   2.6095248577
H   -2.8216245023   1.7097396118  -0.0514000311
H   -2.4667397821   2.7106891577   1.3344514379
H    3.2811235617  -1.2735147892  -1.7172906907
H    3.4575385045   0.4903376377   2.1888705692
H   -5.7947258748  -0.7775975676  -0.7314739173
H   -2.0985888319   3.8869403129  -0.8842327207
H    0.2541723296   4.1580335753  -1.3354098803
H    0.6826229090   2.7575603650  -0.2240044654
*