! 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   2.0966966266  -0.5337104695   1.6896691544
Cl   2.9835343969   4.5053181304   0.2090800385
O   -1.5796584249  -0.1839399986  -0.9047371692
O   -0.7380870660  -1.0314425599   0.9942390042
N   -0.3888462884  -2.7778682781  -1.1490000911
N   -1.3067216099  -2.9713256920  -2.0990904698
N   -1.2839148741  -4.6943959500  -0.6686512457
C   -0.3873057655  -0.4969640376  -0.2450703744
C   -2.6942150575  -0.4422725796  -0.0546670080
C   -2.0346386029  -0.5611825309   1.3098203863
C    0.3688952814  -1.5596431606  -1.0558146252
C    0.4712390627   0.7580075250  -0.0993321982
C   -3.7257665621   0.6599007174  -0.1690532082
C   -4.9439953513   0.3743180995   0.6975821849
C    1.5900480337   0.8188979427   0.7316268354
C    0.1656802946   1.8984591431  -0.8360171527
C    2.3652508877   1.9643421865   0.8334147932
C    0.9219364744   3.0553741867  -0.7539354561
C   -0.3936331086  -3.8074571942  -0.2982672405
C    2.0201440803   3.0766613545   0.0863836097
C   -1.8144585127  -4.1319948978  -1.7733006343
H   -3.1471291901  -1.3981550076  -0.3468554025
H   -1.9915446631   0.4070712648   1.8254904666
H   -2.5142677229  -1.2850842977   1.9670958781
H    1.3307241956  -1.7878489612  -0.6003864433
H    0.5615806527  -1.1870940122  -2.0607653932
H   -3.2743229261   1.6137229610   0.1186244844
H   -4.0351431819   0.7545820316  -1.2126036241
H   -4.6954106967   0.3489045367   1.7601858209
H   -5.7041516518   1.1436194688   0.5629160850
H   -5.3996066415  -0.5838313919   0.4415206673
H   -0.6886520586   1.8918535252  -1.4972135526
H    3.2255023034   1.9839879007   1.4881476094
H    0.6516360031   3.9229533259  -1.3395984218
H    0.2665334308  -3.8711968568   0.5524417117
H   -2.5942808817  -4.5952812983  -2.3577122377
*