! 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  -0.6604723843  -0.8357363717  -2.4126900439
Cl  -5.3415021435  -0.7870497134   0.1937846157
O    0.8741581765  -2.0304855408   0.1667814062
N    1.4322609514  -0.7906009710   0.1911038077
N    4.3339097451   2.1642895583   1.9288375072
C    1.0457567586   1.5696955295   0.2173278881
C    0.5743804462   0.1429220576   0.1949275737
C   -0.8900159190  -0.0854267486   0.1728220265
C    2.5223639183   1.7234905796   0.4175122088
C   -1.5503147754  -0.5448237338  -0.9620050266
C   -1.6457139416   0.1646405850   1.3126354850
C    3.4307089819   1.5288059721  -0.6158902340
C    3.0385562590   2.0430377024   1.6670159964
C   -2.9187200099  -0.7596436939  -0.9708877085
C   -3.0138657240  -0.0481344043   1.3357928320
C   -3.6354982733  -0.5120817675   0.1886430925
C    4.7849494846   1.6545127818  -0.3575953896
C    5.1870620076   1.9675920762   0.9324442630
C    1.8836503623  -3.0105148255   0.0300209778
H    0.7318344584   2.0417413178  -0.7198308351
H    0.5021872445   2.1036830069   1.0025339621
H   -1.1552084280   0.5224758320   2.2089158301
H    3.0838788981   1.2821483485  -1.6121777980
H    2.3627514002   2.2070552403   2.5013004258
H   -3.4139496477  -1.1154317380  -1.8637499295
H   -3.5800042692   0.1433507921   2.2365192234
H    5.5196789416   1.5110341141  -1.1382106872
H    6.2407212556   2.0702884560   1.1670579727
H    1.3759384365  -3.9737737873   0.0387847556
H    2.5971923406  -2.9797970966   0.8573038520
H    2.4258996125  -2.9075846625  -0.9131686838
*