! 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  -5.4352822505  -0.7512420579  -0.2444510874
O    3.2576221700   1.4291047418   1.0217696323
O    1.8006989754  -1.4989827608  -1.9640837399
N    2.4968368024  -0.3383621131  -0.1432796308
N    0.5158777406  -1.6048478249  -0.0968836489
N   -0.6988762015  -2.9157085617   1.1884615676
C    2.2366429768   0.4647191335   1.0932196337
C    3.8110476380   0.0213399542  -0.7293806466
C    4.3832914776   0.8212034672   0.4389094652
C    0.9026946579   1.2090646834   1.1009954264
C    2.3995717868  -0.3529429360   2.3732984203
C    4.6777445963  -1.1948822503  -1.0192572816
C    3.6746310496   0.9135200791  -1.9613029203
C    0.6383776829   2.1192617176  -0.0899922545
C    1.6582480835  -1.1343928358  -0.8161631837
C   -0.6663880535   2.9135018200   0.0543676566
C   -1.8931355820   2.0480254920  -0.0066721656
C   -0.7866809215  -1.4559626957  -0.5096444248
C    0.5084526320  -2.5167104500   0.9149290644
C   -2.4381492777   1.6841733935  -1.2362022233
C   -2.4890269862   1.5464936910   1.1470981354
C   -1.5179350060  -2.2502517724   0.3158634697
C   -3.5310630830   0.8351648110  -1.3208361186
C   -3.5792229095   0.6915716797   1.0848665464
C   -4.0877963930   0.3382193319  -0.1533978703
H    4.9064909588   0.1707448695   1.1516302386
H    5.0785431473   1.5956077471   0.1155409686
H    0.9019268992   1.8109830550   2.0156699025
H    0.0901250202   0.4933133935   1.2281804148
H    1.5123900781  -0.9386923614   2.6011364969
H    2.5529757188   0.3292705505   3.2102724409
H    3.2514483543  -1.0318625074   2.3295097336
H    4.3463682071  -1.7442548940  -1.8980547639
H    4.6991914957  -1.8795156919  -0.1701214526
H    5.7021443523  -0.8669685491  -1.2054428861
H    3.1156538486   1.8232375680  -1.7406169018
H    4.6671720435   1.2111044579  -2.3029598501
H    3.1830108587   0.4011882499  -2.7852619761
H    1.4575486855   2.8325231141  -0.1967389318
H    0.6028595007   1.5482923270  -1.0225207199
H   -0.7074939878   3.6570758699  -0.7445061109
H   -0.6473709624   3.4696389439   0.9954579422
H   -1.0683716471  -0.7951368942  -1.3111972239
H    1.4156341075  -2.8692809543   1.3796555426
H   -2.0031927661   2.0674735799  -2.1520129310
H   -2.0983455784   1.8216923654   2.1195437931
H   -2.5886056379  -2.3791480687   0.3289983517
H   -3.9383209563   0.5647368331  -2.2859340442
H   -4.0213829775   0.3059418213   1.9936518546
*