! 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  -4.5762252332  -1.4941600820   0.4228030199
O    1.5258864510   0.2026172784  -1.7442250290
N    0.5942131938   2.1236418547   0.2109075938
N   -0.3971194014   2.3333463870   1.0796023387
N   -0.5973407833   3.7058911697  -0.6771625332
C    3.6590145890  -0.9606766208  -0.0422988184
C    4.3510110489  -0.3611305469   1.1449161020
C    4.6503862284  -1.7702332938   0.7360482751
C    2.1958131699  -1.3426295594   0.0106208168
C    1.2645645135  -0.1776069045  -0.4131172740
C    1.9480766478  -2.5875463405  -0.8386773365
C    1.5676626150   1.0769054905   0.4214197107
C   -0.2035654713  -0.5426077355  -0.2198915280
C   -0.6565626035  -1.0537149229   0.9948844041
C   -1.1387532066  -0.3162476728  -1.2229065032
C   -1.9930039781  -1.3508591302   1.2002584002
C   -2.4835250273  -0.6058747600  -1.0347744619
C    0.4603865257   2.9442793148  -0.8340503305
C   -2.9006373779  -1.1249600772   0.1770817747
C   -1.0837245171   3.2895346184   0.5084686216
H    4.0007958797  -0.6126928604  -1.0125082620
H    3.7769595373  -0.2126217638   2.0523952958
H    5.1020314610   0.3990949477   0.9694968934
H    5.6107848264  -1.9839059187   0.2835437434
H    4.2714556349  -2.5682969138   1.3646597545
H    1.9585761895  -1.5984193892   1.0485790262
H    2.2366599376  -2.4415207809  -1.8826053792
H    0.9045809673  -2.9053537889  -0.8191313728
H    2.5467231855  -3.4191053215  -0.4657979828
H    2.5542600074   1.4645395573   0.1704554560
H    1.5611594335   0.8435004679   1.4840611157
H    1.3439647123  -0.5369606447  -2.3356457645
H    0.0300870256  -1.2252191176   1.8142031317
H   -0.8385298579   0.1021137189  -2.1738184577
H   -2.3195231259  -1.7502642995   2.1510542566
H   -3.1919131688  -0.4217218540  -1.8314161672
H    1.1471899847   2.9596854325  -1.6648330399
H   -1.9667699440   3.7075413740   0.9667100660
*