! 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  -0.0191844962  -1.6133854912  -1.8998607508
Cl   4.7552046045   0.3887781602  -0.6468311115
O   -1.6804069815  -1.2308128864   0.5698711018
O   -1.4310837787   0.6327132368   1.7592854128
N   -1.4068755767   2.1341159206  -0.7876028358
N   -0.5439335807   2.3384228958  -1.7855385859
N   -0.7611141214   4.1895427582  -0.5449692251
C   -1.1768169233   0.0596502408   0.5058528141
C   -1.4151270517  -1.7014853237   1.8864911917
C   -1.5222159431  -0.4160859237   2.7148937594
C   -2.3952778800  -2.7790375279   2.2954226202
C   -1.9730583217   0.8317185375  -0.5509655686
C    0.3250726829   0.0895439584   0.2142457219
C   -2.2033960033  -4.1358595139   1.6234450451
C    0.9120681233  -0.6105521870  -0.8375062672
C    1.1612721139   0.8915101821   0.9843961282
C   -2.5237690559  -4.1808645137   0.1358716966
C    2.2696879308  -0.5310558547  -1.1051205235
C    2.5199523011   0.9956892918   0.7381004484
C   -1.5202354418   3.2418360220  -0.0502039600
C    3.0633379296   0.2774293448  -0.3107133192
C   -0.1854700684   3.5822817416  -1.6017841365
H   -0.3917808037  -2.0972826539   1.9359279420
H   -2.4822515814  -0.3358307410   3.2323423943
H   -0.7238269155  -0.3409747309   3.4565218794
H   -3.4153500244  -2.4125169937   2.1391279191
H   -2.2822051203  -2.9121973386   3.3758813920
H   -3.0048436122   0.9376192896  -0.2146844542
H   -1.9804713119   0.2968870606  -1.4974458818
H   -2.8402957489  -4.8565944137   2.1426957185
H   -1.1757151642  -4.4742110263   1.7880976082
H    0.7473320812   1.4626659800   1.8030927460
H   -1.8224238934  -3.5966075676  -0.4578910904
H   -2.4864916840  -5.2076938835  -0.2322430429
H   -3.5260300761  -3.7978074425  -0.0673123266
H    2.6972351622  -1.0893700866  -1.9262633148
H    3.1359277193   1.6311776317   1.3588932945
H   -2.1626876352   3.3113264384   0.8134637986
H    0.5142254202   4.0745054060  -2.2596733801
*