! 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   2.4891871153   1.0794317035  -2.6287720407
Cl  -7.0347610918   1.0410359788   1.8789388844
O    3.8154668329   1.1249916331   0.0132233552
O    3.0744205184  -0.1953339215   1.6583659927
O   -2.3300865153   0.4455480881  -1.5554028242
N    2.9232605267  -2.4177967986  -0.1985430400
N    2.0567803958  -2.8255502567  -1.1280603643
N    1.9418680196  -4.1404136247   0.6799479483
C    3.0383335575  -0.0078733448   0.2762323387
C    4.0442280200   1.8461521388   1.2257516422
C    3.7069607481  -1.2230162946  -0.3777664532
C    3.1797126780   1.0951217377   2.2345515895
C    1.6017390769   0.1661337370  -0.2094818777
C    5.5194138010   1.8470047548   1.5611884305
C    1.2707953363   0.6278948164  -1.4812706889
C    0.5452000105  -0.2193350497   0.6088689972
C   -0.0424624346   0.7380062991  -1.9047435138
C   -0.7778691524  -0.1342886137   0.2107748552
C   -1.0687353528   0.3557003005  -1.0535871792
C    2.8403267214  -3.2064620178   0.8763256396
C    1.4957637675  -3.8614845525  -0.5611686904
C   -3.3974306022   0.5865858926  -0.7105273469
C   -3.4348416613   1.5853447507   0.2535853088
C   -4.4766101481  -0.2640275396  -0.8875894799
C   -4.5564546098   1.7224019299   1.0545311471
C   -5.6054216082  -0.1194999104  -0.0953935208
C   -5.6337391580   0.8678307805   0.8755328788
H    3.6898778081   2.8714938491   1.0939860185
H    4.6934065138  -1.3696392193   0.0631894033
H    3.8367839148  -1.0658514180  -1.4457612738
H    3.6399552492   0.9994087947   3.2177650265
H    2.1953679731   1.5599581668   2.3551875124
H    5.7026303240   2.4607997694   2.4440054076
H    5.8859273603   0.8396321577   1.7687258150
H    6.1085323937   2.2642981410   0.7437769330
H    0.7527788154  -0.6107158884   1.5950173667
H   -0.2733142182   1.1094686514  -2.8945466295
H   -1.5569491757  -0.4622748215   0.8857908282
H    3.4477370254  -3.0693610674   1.7567494688
H    0.7353755345  -4.4411065594  -1.0611913347
H   -2.6003186436   2.2617716129   0.3873150484
H   -4.4417578649  -1.0360380701  -1.6452462582
H   -4.5849682168   2.4975492245   1.8078821590
H   -6.4484410070  -0.7818198713  -0.2362171290
*