! 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  -0.0887986046   0.6360604872   3.0407630490
Cl   4.1982689074   1.2684991727  -0.0866735068
N   -1.2692442432  -2.1906756100  -0.3905380458
N   -1.8760195397  -2.3839291535  -1.5637272638
N    0.1522333333  -3.3272652963  -1.5721153701
C   -1.7069520005   0.1194520502   0.4525943422
C   -2.5798069716   0.6583881410  -0.6823931188
C   -1.8636580636  -1.3976286286   0.6589743730
C   -0.2414322619   0.4606108283   0.3276452846
C   -2.5675202167   2.1784073524  -0.7862969955
C    0.5738631302   0.6819914725   1.4365132737
C    0.3844201613   0.4907828803  -0.9173048472
C   -3.5087207479   2.6891506542  -1.8667097944
C    1.9331428028   0.9354054240   1.3267504942
C    1.7384818273   0.7358172403  -1.0643194766
C   -0.0596846481  -2.7543207695  -0.4119006384
C    2.5036915808   0.9589440530   0.0671264645
C   -0.9883772079  -3.0687410900  -2.2389696235
H   -2.0898118916   0.5644154263   1.3748599835
H   -2.3062119947   0.2183773042  -1.6438328185
H   -3.6036885632   0.3241037999  -0.4909168969
H   -2.9189247936  -1.6587975503   0.7311587226
H   -1.3914855907  -1.6964622534   1.5943470403
H   -2.8481370409   2.6100351184   0.1790307633
H   -1.5552221911   2.5340429145  -0.9935777710
H   -0.2007854668   0.3201668397  -1.8112924586
H   -4.5437242195   2.4100966371  -1.6600970072
H   -3.2480350934   2.2815577460  -2.8455081189
H   -3.4715312293   3.7764452123  -1.9452074684
H    2.5321596470   1.1087100666   2.2098155935
H    2.1846631780   0.7500066440  -2.0488315878
H    0.6153202250  -2.7289092552   0.4292719634
H   -1.1743151098  -3.4006564895  -3.2486937097
*