! 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  -6.9875410370   3.8401014515   0.3504733150
O    1.4989593182   0.9681086831   0.0585306902
O    1.2980054675  -3.0332466196   1.0554495547
N    2.1999726840  -1.1767466439   0.1054699926
N    3.2532982920  -3.2657553291  -0.0655774787
N    4.5035853929  -4.4392449135  -1.4444233939
C    1.0268841351  -0.3048054697   0.4284816822
C    3.3712756514  -0.3442966350  -0.2827781090
C    2.8851548621   0.9903435916   0.2814075719
C   -0.1610960634  -0.6655251592  -0.4627105813
C    0.6834175323  -0.3097131119   1.9169984749
C    4.6842300860  -0.7332406501   0.3800382199
C    3.5281166744  -0.2286851453  -1.7962413708
C   -1.4701180494   0.0691811835  -0.1826259944
C    2.1679842097  -2.4772165732   0.4183516432
C   -1.4584126538   1.5797116057  -0.4324197523
C   -2.8273250905   2.1715070768  -0.2493662550
C    4.0395316133  -4.0745014942   0.7178630916
C    3.5628349026  -3.5445636143  -1.3607043408
C   -3.7678250698   2.1386363877  -1.2765624411
C   -3.2076003443   2.7285893469   0.9685521854
C    4.8175975888  -4.7703065714  -0.1537831650
C   -5.0464530510   2.6465246955  -1.1026644281
C   -4.4814757993   3.2424237955   1.1639365551
C   -5.3928457376   3.1963016018   0.1217828402
H    3.1290957800   1.0826297225   1.3478683512
H    3.3159033372   1.8459417407  -0.2384057207
H   -0.3602411380  -1.7323249786  -0.3509495128
H    0.1362242869  -0.5107415191  -1.5039901422
H    0.0591282546   0.5559431304   2.1413494875
H    1.5763484109  -0.2408374628   2.5398449540
H    0.1366708750  -1.1996165327   2.2151998369
H    4.5576941729  -0.9546128340   1.4404772712
H    5.3704479119   0.1125988708   0.3047707241
H    5.1783949012  -1.5769060838  -0.0979626033
H    3.8696160081  -1.1557482887  -2.2513031210
H    2.5958528982   0.0639996663  -2.2797433678
H    4.2767637466   0.5301261780  -2.0285357811
H   -2.2287108165  -0.3807220933  -0.8291726314
H   -1.8042901420  -0.1305456103   0.8392604878
H   -1.1010729680   1.7747062969  -1.4473220135
H   -0.7599721387   2.0747016402   0.2434009425
H    3.9935700600  -4.0578131399   1.7937941734
H    3.0351820008  -3.0977438103  -2.1878272455
H   -3.5019535208   1.7137937652  -2.2375603433
H   -2.4974694161   2.7694239490   1.7862773096
H    5.5870872984  -5.4895558340   0.0791198260
H   -5.7603282379   2.6151913931  -1.9149815994
H   -4.7538146968   3.6748789113   2.1174727057
*