! 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   0.1779658934   2.1000417708  -0.1704413264
Cl  -4.6978727493  -0.1595652850  -0.0742144590
O    1.1185869185  -0.5709897754  -0.5712797872
O    2.4701621380   0.6219817206   2.0147779220
O    3.6231636353   1.3366570786   0.2460502386
C    3.2729341796  -1.5645451105  -0.5804056973
C    1.7884043529  -1.8178124259  -0.7023484914
C    3.6751121211  -0.9988258072   0.7808281969
C   -0.2135279976  -0.5516019723  -0.4689803516
C    3.2565753817   0.4360800922   0.9598260222
C   -0.8172826320   0.6941177540  -0.2650257113
C   -1.0351771904  -1.6711387936  -0.5556513235
C   -2.1876178390   0.8223574639  -0.1454414337
C   -2.4123779627  -1.5552664504  -0.4340379796
C   -2.9804374668  -0.3125199911  -0.2282166416
H    3.6185718990  -0.9123567764  -1.3854525994
H    3.7734324304  -2.5239703323  -0.7221576646
H    1.4644882276  -2.5084665672   0.0841018562
H    1.5552411837  -2.2730750825  -1.6702459136
H    4.7647469516  -1.0214898965   0.8632080201
H    3.2811507861  -1.6253828597   1.5822805368
H   -0.6179746778  -2.6541068983  -0.7243722947
H   -2.6284993707   1.7971347606   0.0120586827
H   -3.0281161381  -2.4413211542  -0.5032153890
H    2.2298266784   1.5580102591   2.0824282620
*