! 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   0.8225537859  -1.1606609422  -2.0931493805
Cl   5.6359391824  -0.5923705632   0.1189665159
O   -1.0758207650  -0.6222279913   0.0573170982
O   -0.6683321805   0.9049674544   1.6251301952
N   -2.0668648245   1.9184494778  -0.6315204408
N   -2.6066719812   2.8000706526   0.2127496816
N   -4.2002432542   1.8015090552  -1.0029670161
C   -0.3095187181   0.5038055504   0.3415882683
C   -1.5124807303  -1.2264233933   1.2723998349
C   -0.9853477266  -0.2707053533   2.3481691419
C   -3.0229608418  -1.3673543138   1.2682544208
C   -0.6584927247   1.6330258751  -0.6325564015
C    1.1871626874   0.1999518461   0.2552286966
C   -3.5823795173  -2.1985085001   0.1179476580
C    1.7629902532  -0.5348602052  -0.7802487157
C    2.0433089767   0.7038914484   1.2299364292
C   -3.1160978763  -3.6476000266   0.1159601974
C    3.1269413006  -0.7838035045  -0.8284403652
C    3.4079382822   0.4722776012   1.2062482440
C   -3.0280211341   1.3241018767  -1.3429552114
C    3.9375911309  -0.2800541152   0.1732600896
C   -3.8841827714   2.6994977267  -0.0476074849
H   -1.0387790222  -2.2076801994   1.3726319544
H   -1.7294909950  -0.0203260742   3.1047687979
H   -0.1029302700  -0.6760764153   2.8538609660
H   -3.4742455356  -0.3697209376   1.2580785909
H   -3.3130913983  -1.8256831769   2.2196240818
H   -0.3566166086   1.3660573815  -1.6441331337
H   -0.1192390685   2.5387733354  -0.3589140329
H   -3.3278724815  -1.7300797214  -0.8357890616
H   -4.6732503885  -2.1732040129   0.1814917595
H    1.6382976696   1.2973976393   2.0379904545
H   -2.0430488211  -3.7363165792  -0.0636589799
H   -3.3327077800  -4.1382971330   1.0677811824
H   -3.6178809624  -4.2186527773  -0.6668668498
H    3.5465958570  -1.3628970750  -1.6393914871
H    4.0408593950   0.8747330025   1.9848309193
H   -2.8270940569   0.5724735226  -2.0897475318
H   -4.6187217021   3.3004782200   0.4660264347
*