! 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   1.5014380561  -0.5504985618   2.3311268461
Cl   4.1334535836  -3.4671547823  -1.2664276042
O   -1.3235097722   0.3425781582  -1.0732513743
O   -1.1359303374  -0.0849978552   1.1185389168
N   -0.8774704808   2.6703123531   0.5264014022
N   -1.4600882549   3.4600738703  -0.3781995693
N   -2.3509110902   3.7999515384   1.6468018603
C   -0.4183691088   0.3142050182  -0.0206354793
C   -2.3559349602  -0.5928436193  -0.7793862597
C   -2.4460340103  -0.4746463981   0.7336914807
C    0.1469422923   1.7278898332   0.1676694978
C    0.7280725330  -0.6579541502  -0.2944483449
C   -3.6128491043  -0.2664641289  -1.5615055527
C   -4.1117626042   1.1653024918  -1.4327541704
C    1.6218407164  -1.0843611674   0.6873732695
C    0.9362297222  -1.1223896273  -1.5894454202
C    2.6694342848  -1.9455619691   0.3974537018
C    1.9697827986  -1.9878619435  -1.9057230924
C   -1.4209163228   2.8804236014   1.7291979616
C    2.8305805209  -2.3935265862  -0.9018699005
C   -2.3324234957   4.1215245344   0.3373412818
H   -2.0252337868  -1.6054154070  -1.0473913362
H   -3.1712439028   0.2794133892   1.0561136031
H   -2.7026628348  -1.4231682414   1.2076308859
H    0.6156506829   2.0660759645  -0.7547997142
H    0.9117984087   1.7299281080   0.9418778344
H   -4.3846403842  -0.9666810869  -1.2303710362
H   -3.4357903779  -0.4977514954  -2.6147919464
H   -3.3932019021   1.8824971651  -1.8254402553
H   -5.0393562089   1.2862514349  -1.9924289732
H   -4.3246014321   1.4423272643  -0.3997650714
H    0.2732045042  -0.8013427924  -2.3809725643
H    3.3485946303  -2.2591574373   1.1781797527
H    2.0980066816  -2.3338442688  -2.9220640259
H   -1.1056365756   2.3584781717   2.6190489769
H   -2.9793814528   4.8663086940  -0.0996847852
*