! 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  -0.0740818643   0.7747426848  -2.5187753986
Cl   4.0270016068   1.3268011985   0.8358485998
N   -1.2441496976  -2.2556166395  -0.1674183905
N   -1.4281582637  -2.7539798427   1.0549421549
N    0.4011676675  -3.6404081436   0.1177596316
C   -1.8480880846   0.1205549252   0.0650006405
C   -2.7278792392   1.2299814470  -0.5233852315
C   -2.0844729891  -1.1988030283  -0.6787838479
C   -0.3772969715   0.4545686750   0.1844874769
C   -2.5814710981   2.5832026466   0.1646976898
C    0.4827265333   0.7479200100  -0.8732712740
C    0.1988463491   0.4373381911   1.4546629926
C   -2.9851815211   2.5824922663   1.6315702024
C    1.8305297484   1.0181042048  -0.6863565570
C    1.5385641240   0.7023071441   1.6797637387
C   -0.1457445160  -2.7816498868  -0.7101428843
C    2.3473427554   0.9941985594   0.5963386438
C   -0.4216817796  -3.5821255816   1.1813569665
H   -2.1955874298  -0.0521422414   1.0870386477
H   -2.5346544271   1.3462014630  -1.5905180990
H   -3.7685166608   0.8995128362  -0.4416142341
H   -1.8875314203  -1.1104183967  -1.7451881153
H   -3.1264410937  -1.4980339871  -0.5658988694
H   -1.5535348333   2.9433728388   0.0649314931
H   -3.2015973249   3.3036150382  -0.3742760475
H   -0.4270888264   0.2006068625   2.3056622752
H   -2.9454234956   3.5896515126   2.0489536895
H   -2.3311347804   1.9599336786   2.2444533460
H   -4.0050002240   2.2138458337   1.7620143267
H    2.4650187392   1.2397354050  -1.5334054067
H    1.9380216686   0.6752344301   2.6840505098
H    0.2050830834  -2.5218002664  -1.6969973609
H   -0.2796182038  -4.1723694361   2.0736078148
*