! 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   1.6660828898   2.1910947951   1.1348268560
Cl   5.6035556890  -1.1684356665  -0.1338133079
O   -1.0340550429  -1.0002086624  -0.5676607901
O   -0.7440196295   0.5190775823   1.0626677673
N   -1.9536876171   1.6518814084  -1.1928306438
N   -2.9312005391   1.0144262102  -1.8413101761
N   -3.7741197148   2.6528391282  -0.5678613613
C   -0.3016423049   0.1274837098  -0.2080038790
C   -1.6620724442  -1.5451329578   0.5885781660
C   -1.8224897959  -0.3111044764   1.4596544118
C   -2.9560213504  -2.2228968925   0.1946568789
C   -0.5834019349   1.2194382812  -1.2521944505
C    1.1936830574  -0.1721604051  -0.1639425964
C   -3.7053314661  -2.7836784325   1.3977933033
C    2.1292855165   0.6842851963   0.4148283099
C    1.6759659022  -1.3381189524  -0.7496357800
C   -4.9776700034  -3.5110751530   0.9931073159
C    3.4835719615   0.3867598281   0.4297664398
C    3.0228345481  -1.6606853019  -0.7496502547
C   -2.4709255416   2.6200799557  -0.4316834075
C    3.9172620506  -0.7911985733  -0.1525452885
C   -4.0016275747   1.6514529870  -1.4417765999
H   -0.9892880708  -2.2673097798   1.0703411065
H   -2.7845020351   0.1874329058   1.2876908361
H   -1.7306265377  -0.5214919041   2.5253520631
H   -2.7371732498  -3.0333510145  -0.5069632599
H   -3.5854711236  -1.5033417007  -0.3378422139
H   -0.3731624605   0.8418182191  -2.2520190116
H    0.0540043822   2.0863489800  -1.0885889120
H   -3.9599697069  -1.9754706748   2.0904867705
H   -3.0539091768  -3.4661677888   1.9517204231
H    0.9860748770  -2.0233619842  -1.2215166789
H   -5.6643336141  -2.8474101591   0.4640038559
H   -4.7617051913  -4.3536922013   0.3334003095
H   -5.5057464996  -3.9024536899   1.8635170369
H    4.1859921704   1.0675139971   0.8904414015
H    3.3599318154  -2.5783072526  -1.2110379658
H   -1.8673078260   3.2682362928   0.1842515695
H   -4.9858777929   1.3851271385  -1.7949661206
*