! 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   5.9061589414   0.0318556375  -0.3183103738
O   -2.5865887321   0.3271188775   1.7131970007
N   -2.1371596852  -1.8128383123  -0.2524678752
N   -1.2040691448  -2.1636815841  -1.1394313299
N   -1.1345993149  -3.5190842541   0.6388147065
C   -3.1649606285   1.8779194180  -0.1485507991
C   -2.4506040457   0.5858906687   0.3412996332
C   -2.3994337198   2.1785952221  -1.4445289454
C   -0.9963626884   0.8471880403   0.0036969642
C   -0.9389842218   1.8227559980  -1.1409320858
C   -2.9544292994  -0.6428894216  -0.4558156328
C   -2.9351692609   3.0026707360   0.8633793217
C   -4.6633984059   1.7239758160  -0.3816925375
C    0.0000058494   0.2409127021   0.6545623224
C    1.4381201793   0.2736781799   0.3963169351
C   -2.0815267222  -2.6256218013   0.8050795559
C    2.0924120124   1.1951353158  -0.4282315400
C    2.2239444275  -0.7089169021   1.0105152511
C   -0.6309474938  -3.1907959679  -0.5669803816
C    3.4590292797   1.1273035726  -0.6440160292
C    3.5895531161  -0.7926837367   0.8023853277
C    4.2003373315   0.1296631500  -0.0320905508
H   -2.5174896861   3.2187874694  -1.7517104140
H   -2.7821518853   1.5701862984  -2.2677344227
H   -0.3864975382   2.7195361985  -0.8503473079
H   -0.4201635542   1.4103140192  -2.0104546683
H   -2.9677104065  -0.4557553768  -1.5274001868
H   -3.9769141085  -0.8836015295  -0.1583438722
H   -1.8823752530   3.1392501514   1.1182537624
H   -3.2947908180   3.9476220960   0.4514236152
H   -3.4754042482   2.8314299098   1.7953443150
H   -5.0966214312   2.6816206836  -0.6769891107
H   -4.9001569953   1.0132670330  -1.1748980340
H   -5.1902444548   1.4053971535   0.5217661894
H   -3.5179846528   0.1900033013   1.9210505189
H   -0.2743912532  -0.4276708947   1.4644791115
H   -2.7432064115  -2.5414032652   1.6519361940
H    1.5493977563   1.9916861684  -0.9123644115
H    1.7529327872  -1.4354304845   1.6616348955
H    0.1799018511  -3.7251563528  -1.0373030775
H    3.9378509498   1.8526354509  -1.2878458794
H    4.1656935531  -1.5712138327   1.2838926880
*