! 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   0.6161440474  -0.1910234115  -3.1596348093
Cl   3.8011579651  -2.6938338851   0.3299604773
O   -0.7144610142   2.1452820634   0.3260954670
N   -2.2489583229  -0.3402769235   0.2614970064
N   -2.8539182108  -0.8610281462   2.3148130135
C   -0.6355023797   1.2418113297  -0.7431443718
C   -1.9538472466   0.4664027456  -0.8958720870
C    0.5098470011   0.2951638672  -0.4868069576
C    1.1150310146  -0.4228069492  -1.5139598253
C    0.9567891555   0.0499375167   0.8084653134
C   -1.9166787643  -1.6548491821   0.4429978186
C   -2.7990352619   0.0888629162   1.4195005539
C   -1.3165468568   3.3743619983   0.0065252155
C    2.1268630170  -1.3410387988  -1.2814732400
C    1.9638203866  -0.8616759712   1.0738010168
C    2.5413340830  -1.5512824537   0.0216449330
C   -2.3032861494  -1.9580426381   1.7144030975
C   -1.5987319750   4.1637132905   1.2372953580
C   -1.4074209558   3.7695619686   2.4892706438
H   -0.4646583931   1.7765397421  -1.6864494373
H   -2.7772096941   1.1616858698  -1.0652837991
H   -1.9126807803  -0.1783514101  -1.7723365398
H    0.5098314581   0.5798104813   1.6378395803
H   -1.4538711164  -2.2449679564  -0.3311163674
H   -3.1508410749   1.1011408936   1.5493165991
H   -0.6678684902   3.9600866918  -0.6605254935
H   -2.2601781405   3.2391220995  -0.5404053172
H    2.5797886740  -1.8790802167  -2.1026996743
H    2.2866045293  -1.0321604251   2.0914269989
H   -2.2158934051  -2.9049811905   2.2245826625
H   -2.0050808853   5.1505082234   1.0397567643
H   -1.6555113553   4.4244672643   3.3147164212
H   -1.0098393993   2.7980043749   2.7469254728
*