! 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   4.0573097174  -3.5938456057  -0.1566072791
O   -0.0731470697   1.3525456510  -1.5708637383
N   -0.9938806672   2.7179048762   0.6574142752
N   -2.2725672771   2.7868184667   1.0376135802
N   -1.6323694659   4.7200291584   0.1123372617
C   -2.0028544999  -1.0412294985   0.6498333955
C   -2.6064570824  -0.5566884278   1.9335902621
C   -3.4311700434  -1.3559347719   0.9732636186
C   -1.6960349157  -0.1204803138  -0.5106728678
C   -0.3078239710   0.5763901541  -0.4172548053
C   -1.8584154776  -0.9029948095  -1.8132897022
C   -0.2008092556   1.5213093441   0.8065077118
C    0.8103009764  -0.4498106090  -0.3417446872
C    1.1852722953  -1.0271341138   0.8705724316
C    1.4743128839  -0.8643504145  -1.4941165713
C    2.1804622540  -1.9900365250   0.9374708061
C    2.4696507742  -1.8289284261  -1.4450518362
C   -0.6277238522   3.8770919703   0.1043410216
C    2.8160181928  -2.3870388897  -0.2265740701
C   -2.6131919487   4.0019006885   0.6916062187
H   -1.3252450813  -1.8846680131   0.7409033109
H   -2.8292419777   0.4989821737   2.0232946586
H   -2.2870630737  -1.0282817296   2.8550720700
H   -3.6854420265  -2.3764569056   1.2308258257
H   -4.2034346350  -0.8347618663   0.4188820885
H   -2.4475495164   0.6806828512  -0.5080635065
H   -1.1901483741  -1.7653516879  -1.8555152792
H   -1.6798701136  -0.3001543825  -2.7038577080
H   -2.8783394681  -1.2823153123  -1.8848083345
H    0.8361593005   1.8383403155   0.9178413135
H   -0.4992651784   1.0389401671   1.7332325907
H   -0.9014535478   1.7444833784  -1.8685854967
H    0.7041798052  -0.7419828012   1.7967343377
H    1.2208374391  -0.4414997056  -2.4555452409
H    2.4512668785  -2.4209595138   1.8917567136
H    2.9677030188  -2.1363759701  -2.3547698004
H    0.3671856461   4.0612924379  -0.2695428993
H   -3.6053621332   4.3868337211   0.8704286290
*