! 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  -0.2322812385   1.0505665216  -2.5334451900
Cl   3.8325874046   2.5330097389   0.5723367143
O   -2.3341328657   0.0874516702  -0.6960922987
O   -1.7508049761  -0.9611202520   1.2033769168
N    0.1342652658  -2.5830560905  -0.4529239830
N    0.1072971149  -3.3352631159   0.6485320420
N    2.1807977516  -3.2548134377  -0.1941868757
C   -1.2971361069  -0.6060518994  -0.0714489368
C   -3.2578478937   0.5245352235   0.2955365786
C   -3.1084415486  -0.5712846940   1.3387430143
C   -1.0251505990  -1.8664168815  -0.9136792591
C   -0.0277295317   0.2306512139   0.0726317406
C   -2.9462870648   1.9272318090   0.7969038063
C   -4.0780249895   2.4932203216   1.6412957790
C    0.5144181597   0.9777497896  -0.9711074470
C    0.6779118970   0.2123739452   1.2728509805
C    1.6951846679   1.6917312213  -0.8255042967
C    1.8604647973   0.9104971590   1.4444078862
C    1.3775504885  -2.5376020139  -0.9399240134
C    2.3585824929   1.6507082765   0.3872942208
C    1.3526542058  -3.7193619082   0.7621661463
H   -4.2497405499   0.5097851380  -0.1631793243
H   -3.2755040571  -0.2350001831   2.3629477287
H   -3.7773946521  -1.4146241410   1.1396683303
H   -0.8587139080  -1.5954690740  -1.9550006233
H   -1.8922520559  -2.5264391254  -0.8771200396
H   -2.0164682869   1.9283840628   1.3735155113
H   -2.7783232382   2.5732973598  -0.0683432893
H   -5.0085553191   2.5508089961   1.0733289647
H   -4.2717442500   1.8894868848   2.5298399601
H   -3.8400017920   3.5003764482   1.9836426106
H    0.3002121332  -0.3646168197   2.1043920001
H    2.0886444711   2.2682816368  -1.6512719928
H    2.3810117990   0.8710102306   2.3910542683
H    1.6408083257  -1.9881190009  -1.8305677865
H    1.6777037228  -4.3643493352   1.5639106016
*