! 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   0.8717901362   0.0072861504   2.1679532781
Cl   4.1570600716  -2.1986659997  -1.3771169357
O   -2.1958074694  -0.3519102711  -1.1161194916
O   -1.7906154734  -0.0333421055   1.0403794892
N   -0.3762741908   2.4498475412   0.3519352892
N    0.9056863012   2.6325191698   0.0271398734
N    0.4619546630   3.5532854834   2.0188232983
C   -1.2764029572   0.2103577203  -0.2252292516
C   -2.8399010792  -1.4514121289  -0.4669530447
C   -2.3447122804  -1.3346562460   0.9824154670
C   -1.2755377936   1.7172680126  -0.4974468353
C    0.1063998425  -0.4144807407  -0.4373133600
C   -4.3427713995  -1.3263607447  -0.6195373167
C   -4.8070416167  -1.3198957151  -2.0675066657
C    1.0949241314  -0.5279894627   0.5385659470
C    0.4262193605  -0.8651607634  -1.7165366136
C    2.3376362234  -1.0793184516   0.2554923227
C    1.6582737240  -1.4114400078  -2.0276281760
C   -0.6248636604   2.9975111732   1.5445940486
C    2.6085173102  -1.5155950518  -1.0274280873
C    1.3686295098   3.2948698644   1.0553446150
H   -2.4975988374  -2.3885470936  -0.9191737358
H   -3.1450003095  -1.4029715380   1.7195775737
H   -1.5953485976  -2.0975198107   1.2179552254
H   -2.2854806566   2.0988015935  -0.3439927959
H   -0.9976120630   1.9054099400  -1.5335497115
H   -4.6847408004  -0.4222635511  -0.1059601204
H   -4.7961237561  -2.1715135172  -0.0944406640
H   -4.4879514419  -2.2227885635  -2.5920045940
H   -5.8950264867  -1.2768786127  -2.1252439503
H   -4.4180593960  -0.4617845469  -2.6160617703
H   -0.3109337917  -0.7910570081  -2.5039880906
H    3.0841688806  -1.1597548971   1.0332257551
H    1.8656240023  -1.7501074256  -3.0330475121
H   -1.5975276918   2.9763003760   2.0101730192
H    2.3987005264   3.6110944780   1.1102003596
*