! 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   5.0761937718   2.4900925364  -1.6512337847
O   -2.4120347114  -0.3568998687   1.7807301938
N   -1.3785668383  -2.6465482091   0.2606685822
N   -0.9684998985  -2.7082787586   1.5308335058
N    0.3330036081  -3.9822912624   0.2410020260
C   -2.3675623279  -0.3606836713   0.3707238890
C   -3.6092483976   0.4683385532  -0.0997106655
C   -1.0284120631   0.2260456407  -0.1625483558
C   -2.4978141524  -1.8150791770  -0.1378388481
C   -3.8225628372   0.3646520505  -1.6134123360
C   -4.8918455032  -0.0141516866   0.5906582389
C   -3.4218631929   1.9464754746   0.2595217424
C   -0.2384663184   1.0968663925   0.8196422981
C    1.0907330687   1.4740040347   0.2277977564
C   -0.5914226801  -3.4095636919  -0.4964504675
C    2.2151846281   0.6856948895   0.4589636836
C    1.2286881077   2.5842564429  -0.6012750397
C    0.0607014938  -3.5179206573   1.4716921184
C    3.4421873714   0.9881197683  -0.1117436669
C    2.4465194275   2.9044034867  -1.1833877140
C    3.5461592932   2.0994717278  -0.9322383297
H   -1.2120701349   0.7958119079  -1.0762289379
H   -0.3631825835  -0.5824928235  -0.4783651214
H   -3.4138048661  -2.2758799169   0.2324621455
H   -2.5227843396  -1.8467989715  -1.2251935824
H   -4.1590919481  -0.6256918780  -1.9256735842
H   -2.9283252860   0.6084131339  -2.1897435147
H   -4.5988084406   1.0673243819  -1.9229134008
H   -4.8624705192   0.1276740772   1.6702328295
H   -5.1128291128  -1.0656045402   0.3981779103
H   -5.7437947107   0.5560776580   0.2137015532
H   -4.3354268443   2.4991043174   0.0291519985
H   -3.2177415013   2.0915675860   1.3207439390
H   -2.6192774998   2.4184739351  -0.3098696843
H   -0.0675584862   0.5537060152   1.7498183292
H   -0.7975539151   1.9958377577   1.0828846143
H   -1.8108660097  -1.0416900105   2.1135636053
H   -0.7257937636  -3.5155380977  -1.5614792097
H    2.1392744981  -0.1832332260   1.1023315795
H    0.3735868243   3.2199397192  -0.7988368004
H    0.6306566558  -3.7802916102   2.3493093595
H    4.3034777426   0.3642380928   0.0857193562
H    2.5333226877   3.7728642398  -1.8224870696
*