! 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   5.9082640079   0.2648201978  -0.2746814499
O   -2.5602107016   0.2024742409   1.7805869264
N   -2.2813980378  -1.8319950412  -0.3943867263
N   -1.4351675938  -2.1083055584  -1.3890241436
N   -1.1900018642  -3.5846523964   0.2729716492
C   -3.0030428141   1.8876642703  -0.0028639128
C   -2.4338638769   0.5040023561   0.4188570164
C   -2.2840863286   2.1277514108  -1.3428872563
C   -0.9800330677   0.6229234744   0.0353708588
C   -0.9145619600   1.4251035330  -1.2346432423
C   -3.0767822181  -0.6307713134  -0.4184442914
C   -2.5753755948   2.9489992301   1.0120412145
C   -4.5210262224   1.9187033973  -0.1418618893
C    0.0148592272   0.1393113337   0.7799843255
C    1.4472518273   0.1854617967   0.4820481946
C   -2.1173462145  -2.7128244228   0.5943438785
C    1.9591157761   0.1514013856  -0.8171356806
C    2.3608760367   0.2201728857   1.5399428820
C   -0.8054911264  -3.1672501936  -0.9481454248
C    3.3240511677   0.1772450964  -1.0555350440
C    3.7268864935   0.2520806485   1.3191255253
C    4.2001659496   0.2339644229   0.0160500336
H   -2.1836425318   3.1936848713  -1.5503597142
H   -2.8629755455   1.7097388703  -2.1689318255
H   -0.0839550794   2.1331153369  -1.2071434904
H   -0.7437639719   0.7824654241  -2.1015890855
H   -3.1890649103  -0.3542214949  -1.4646820220
H   -4.0737663120  -0.8598741676  -0.0378389076
H   -2.8705095248   3.9378595555   0.6566712852
H   -3.0460254749   2.8015880153   1.9848653531
H   -1.4952254115   2.9687969663   1.1689758446
H   -4.8534863967   2.9172117671  -0.4316253326
H   -4.8917027836   1.2294400978  -0.9018810496
H   -5.0230800102   1.6803539158   0.7996248787
H   -3.4936864045   0.1652287190   2.0138478518
H   -0.2364889378  -0.3302667100   1.7253805388
H   -2.6914603251  -2.6904195090   1.5063316246
H    1.2922893725   0.0672317236  -1.6634764504
H    1.9978280922   0.2272527916   2.5604697748
H   -0.0430495265  -3.6594718303  -1.5317331444
H    3.6959729936   0.1402096084  -2.0705830660
H    4.4123914729   0.2859257420   2.1551091782
*