! 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   0.5255575394  -1.6718086003  -1.9088057713
Cl   4.9165713988   0.9443079935  -0.4054834927
O   -1.3262955413  -1.4957040629   0.3827513030
O   -1.3834120403   0.3387748534   1.6447156357
N   -1.3511651737   1.9318966514  -0.8678164997
N   -0.4668482387   2.2491418918  -1.8162652537
N   -0.9516660173   4.0419187426  -0.5682769127
C   -0.9776424851  -0.1470612402   0.4013967844
C   -1.4416575765  -1.9770823163   1.7208659786
C   -1.1989942879  -0.7222647129   2.5667824500
C   -2.8072746153  -2.6020672111   1.9330048530
C   -1.7884992139   0.5729163908  -0.6841202568
C    0.5233279583   0.0655295484   0.2031620891
C   -3.0979250583  -3.7828981963   1.0158854797
C    1.2562328799  -0.5558683952  -0.8052043005
C    1.1978196213   0.9800161702   1.0061985625
C   -4.4693125172  -4.3884183072   1.2741607525
C    2.6047598183  -0.2963774377  -0.9964511543
C    2.5429731258   1.2605551917   0.8381472077
C   -1.6252852384   3.0086246565  -0.1254900369
C    3.2369393215   0.6131490602  -0.1675161912
C   -0.2583714653   3.5216415489  -1.6006880521
H   -0.6596641271  -2.7221851081   1.9009407865
H   -1.9180997774  -0.6030392126   3.3776182975
H   -0.1918702383  -0.7087637881   2.9956705179
H   -3.5791254750  -1.8331065123   1.8145885741
H   -2.8580653984  -2.9329456834   2.9753330019
H   -2.8425721684   0.5642441656  -0.4054501116
H   -1.6879282001   0.0604842826  -1.6378522972
H   -2.3281769385  -4.5482802932   1.1553684964
H   -3.0311304680  -3.4673853990  -0.0279746802
H    0.6626896387   1.5000334788   1.7884324970
H   -5.2654288678  -3.6643770244   1.0886126552
H   -4.6532538484  -5.2484757640   0.6286982685
H   -4.5692190033  -4.7274600455   2.3073832498
H    3.1493146912  -0.7939519134  -1.7869497392
H    3.0333631350   1.9769488600   1.4823814100
H   -2.3151889029   2.9950066026   0.7034113305
H    0.4146784660   4.0998971202  -2.2146810093
*