! 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   2.0394697320   1.3043779112   3.0367791983
Cl  -6.6537139047   0.6587347553  -2.9187081983
O    3.3705951596  -0.0476848850  -1.0565257473
O    3.7805803105   1.3457630004   0.6522454680
O   -2.5091650387   0.4444314631   1.2124423202
N    2.9722720051  -2.2255790579   0.8201926312
N    1.9826217193  -2.6373248689   1.6156281603
N    2.1786015422  -3.9927560797  -0.1547808922
C    3.0982036914   0.1735329352   0.2916911388
C    3.6040031217   1.2231517838  -1.6577811703
C    3.6848737279  -1.0022929746   1.0850503969
C    4.2768827511   1.9741864546  -0.5189696095
C    1.5973993128   0.3094298068   0.5284130753
C    4.4433880732   1.0603728915  -2.8982649124
C    1.0449354186   0.7819121714   1.7169490219
C    0.7049605376  -0.1336747454  -0.4418394259
C   -0.3231839640   0.8435240711   1.9174229322
C   -0.6679560662  -0.0992034375  -0.2662717442
C   -1.1810138291   0.4002528218   0.9213226300
C    3.0744517057  -3.0390735325  -0.2346703062
C    1.5371608216  -3.6974262037   0.9935934843
C   -3.4366733578   0.4945272322   0.2074278026
C   -4.4911405180  -0.4030458810   0.2594716553
C   -3.3701536836   1.4498635722  -0.7982739000
C   -5.4907919481  -0.3487968922  -0.6999348503
C   -4.3606243058   1.4958832727  -1.7653807525
C   -5.4141113363   0.5956163174  -1.7104618701
H    2.6470301434   1.6958387586  -1.9126731341
H    3.6334336148  -0.8124475084   2.1544041268
H    4.7336185001  -1.1286199523   0.8144661030
H    5.3674092035   1.8796932697  -0.5618972405
H    4.0214130727   3.0348516068  -0.5087963054
H    5.3946180085   0.5759724822  -2.6738641885
H    3.9232876332   0.4728917322  -3.6548999761
H    4.6547677956   2.0383993102  -3.3315117544
H    1.0871736101  -0.5335345460  -1.3706307765
H   -0.7270679068   1.2234935173   2.8465968143
H   -1.3121332438  -0.4724498990  -1.0509386792
H    3.8067275181  -2.9055211374  -1.0151165147
H    0.7229262406  -4.2868817687   1.3857206881
H   -4.5384619819  -1.1404071448   1.0504039967
H   -2.5563602752   2.1626469972  -0.8357224342
H   -6.3152685800  -1.0471220656  -0.6570574322
H   -4.3086666752   2.2374888788  -2.5506086779
*