! 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   0.1098297920  -0.7805798174   1.9796330513
Cl  -7.3611296313   2.4276553849   0.9483892950
O    3.4031183489  -0.1553617787  -1.0533950646
O    2.7891333987   0.1518287479   1.0680113300
O   -2.7796754872   0.3260341864  -2.0307589847
N    4.0659581873  -2.3394923150   0.5948747733
N    5.0030066996  -2.7091995847  -0.2808533463
N    5.8874773845  -2.4858174965   1.7634612519
C    2.4918636267  -0.5764503036  -0.0813622944
C    3.9902881427   1.0870297798  -0.6593174899
C    2.7141425901  -2.0677865181   0.1850351812
C    3.2273695828   1.4211258988   0.6210423636
C    1.0575257493  -0.3318880587  -0.5498169075
C    5.4809499154   0.9213005337  -0.4620889428
C   -0.0494108880  -0.3992382520   0.2943293034
C    0.8060850259  -0.0431714891  -1.8888179067
C   -1.3415137182  -0.1803521618  -0.1597070142
C   -0.4684536277   0.1957703142  -2.3672329604
C   -1.5454114553   0.1303280404  -1.4964691024
C    4.6077442513  -2.2038443680   1.8081971066
C    6.0756602844  -2.7884087919   0.4627576607
C   -3.8100597464   0.8162993407  -1.2765469824
C   -5.0474436797   0.2086390465  -1.4227629405
C   -3.6598758990   1.9225111787  -0.4504145709
C   -6.1468863056   0.7089015810  -0.7431419255
C   -4.7555673105   2.4140132400   0.2407439786
C   -5.9918884805   1.8051170816   0.0897068001
H    3.7962681828   1.8303387359  -1.4370827951
H    2.5136103389  -2.6364927304  -0.7213097184
H    2.0321903775  -2.4264217308   0.9540312117
H    3.8500138386   1.8688745805   1.3953340592
H    2.3793455821   2.0877278195   0.4285876569
H    5.9520982464   0.5018343258  -1.3514283465
H    5.9392428725   1.8929820245  -0.2725933674
H    5.7085510781   0.2718657302   0.3848436845
H    1.6325592542   0.0085561030  -2.5831466507
H   -2.1709880455  -0.2600029407   0.5302383941
H   -0.6265608142   0.4282916767  -3.4121631929
H    4.0405059972  -1.9164031884   2.6790714810
H    7.0311987908  -3.0791065115   0.0543863862
H   -5.1576992305  -0.6497420077  -2.0726868796
H   -2.7018928003   2.4146457813  -0.3413651554
H   -7.1122378017   0.2363193658  -0.8624186663
H   -4.6389902371   3.2751198437   0.8844519546
*