! 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   0.9413339274  -1.0754256243   1.8604053590
Cl   3.4494104523   3.1834868498  -0.0866333897
O   -2.4424027475   0.2446194407  -0.8035003903
O   -1.7640322047  -1.0529329833   0.8644343108
N   -0.0034222593  -2.4639801335  -1.0154388654
N    1.2402405422  -2.1881535938  -1.4137924357
N    1.2137783758  -4.0361690753  -0.1511189390
C   -1.3504452445  -0.4974262319  -0.3386304774
C   -3.2002379683   0.6895759763   0.3251954858
C   -2.5570576797  -0.0662576132   1.4953770102
C   -1.1123264659  -1.6150136697  -1.3580908518
C   -0.1221725195   0.4077061662  -0.1943240490
C   -3.1694679675   2.1958984283   0.4915520002
C   -3.7600042682   2.9543242264  -0.6851127196
C    0.9133299199   0.2236258779   0.7188938325
C    0.0034360924   1.4718648272  -1.0852899831
C    2.0084265096   1.0777263169   0.7603741924
C    1.0866934728   2.3304265175  -1.0738323357
C   -0.0036533919  -3.5667009905  -0.2617163044
C    2.0846826396   2.1246231793  -0.1375035740
C    1.9349210315  -3.1533311955  -0.8699550879
H   -4.2323668709   0.3611061737   0.1674030019
H   -1.9450203630   0.5983344653   2.1177299142
H   -3.2849314289  -0.5609793384   2.1372185849
H   -0.9215016341  -1.1865639549  -2.3407552744
H   -2.0124629649  -2.2267745790  -1.4248204358
H   -3.7350091194   2.4303709797   1.3989961510
H   -2.1434012852   2.5255172958   0.6782648356
H   -3.7563945631   4.0279083970  -0.4939452156
H   -3.1946649825   2.7861512681  -1.6026479066
H   -4.7939015580   2.6588448233  -0.8742967310
H   -0.7721849190   1.6430166545  -1.8186764738
H    2.7937171109   0.9167750861   1.4857667061
H    1.1442654230   3.1443035954  -1.7826508524
H   -0.8994992135  -3.9839323925   0.1700686639
H    3.0027415075  -3.2289636328  -1.0042742705
*