! 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  -2.4084567958   4.9322341027   0.2491466427
N   -0.4877348080  -2.8610086974  -0.6330687704
N   -0.7263936188  -3.7130655044   0.3665801017
N    0.3714885016  -4.7400997585  -1.2911220057
N    0.5804871505  -1.4773428347   2.5543127537
C    0.1135357731  -0.5527974557   0.1536747770
C    1.4697032690  -0.5379878901  -0.5875966336
C   -0.9036537369  -1.4851168464  -0.5541488098
C    2.4884030240   0.4365343545  -0.0117704987
C   -0.5161180543   0.8346598141   0.2181342570
C    3.8061920911   0.4412974269  -0.7825435996
C    0.3554562044  -1.0680194239   1.5039633412
C   -0.9185015701   1.4221731812   1.4106890663
C   -0.7147121785   1.5386906256  -0.9679701083
C    4.5745069369  -0.8705825943  -0.7194650661
C   -1.5006831051   2.6818593410   1.4285519318
C   -1.2965934707   2.7947219096  -0.9670454377
C    0.1683866540  -3.4876636134  -1.6150818388
C   -1.6859291588   3.3597077214   0.2373936510
C   -0.1929872815  -4.8232084226  -0.0700620282
H    1.2788441546  -0.2961151938  -1.6370835921
H    1.8778886287  -1.5505616197  -0.5741542429
H   -1.0611600693  -1.1199223661  -1.5680666825
H   -1.8621185329  -1.4531251428  -0.0384625566
H    2.6881115391   0.1932340525   1.0372253078
H    2.0743557709   1.4478377810  -0.0188175033
H    4.4337619506   1.2399139527  -0.3790363680
H    3.6161182280   0.7073010921  -1.8270129720
H   -0.7858679661   0.9142969116   2.3569173755
H   -0.4105499119   1.1229194907  -1.9202885471
H    5.5443289119  -0.7796740730  -1.2108106988
H    4.0452538842  -1.6886211399  -1.2105132199
H    4.7586638031  -1.1719363743   0.3139557860
H   -1.8019804730   3.1204610592   2.3698410765
H   -1.4384928742   3.3238777431  -1.8991767489
H    0.4573925688  -3.0010193868  -2.5334346331
H   -0.2166488177  -5.7321023923   0.5105435239
*