! 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  -2.0550985007   4.9873309629   0.3087101858
N   -0.5770635041  -2.8868381475  -0.7402701170
N   -1.0114213595  -3.7459464678   0.1851854000
N    0.2348118637  -4.8055185440  -1.3427822659
N    0.2317833188  -1.7139816728   2.5820163943
C    0.0888365805  -0.6551961296   0.1967818938
C    1.5166775791  -0.6943829783  -0.3946040323
C   -0.8983549586  -1.4861937828  -0.6642517474
C    2.5270976228   0.1683951484   0.3501130648
C   -0.4540159028   0.7678574898   0.2650554507
C    3.9367149433   0.0582713409  -0.2250071749
C    0.1480661978  -1.2460541071   1.5355369317
C   -0.9584582483   1.3240361465   1.4337989641
C   -0.4651030314   1.5397508085  -0.8951239721
C    4.0678038568   0.5812833440  -1.6484458179
C   -1.4535790586   2.6202062899   1.4549342020
C   -0.9567595624   2.8336890215  -0.8906736187
C    0.1677070132  -3.5332441286  -1.6442115302
C   -1.4469538756   3.3674684391   0.2910287326
C   -0.5014362435  -4.8807984219  -0.2153193507
H    1.4482235560  -0.3861282248  -1.4403442622
H    1.8673121490  -1.7297041713  -0.4015266057
H   -0.9013604920  -1.0809618602  -1.6753457339
H   -1.9079642199  -1.3942402111  -0.2677981546
H    2.5529126856  -0.1249653381   1.4036879745
H    2.2127139606   1.2158221103   0.3306053089
H    4.2676807418  -0.9838490577  -0.1833031245
H    4.6159288526   0.6169382450   0.4236722784
H   -0.9753734631   0.7606964808   2.3576373347
H   -0.0823703660   1.1466280517  -1.8283822450
H    5.1075981900   0.5610514623  -1.9781269374
H    3.7209694005   1.6142845804  -1.7247635380
H    3.4956373959  -0.0114702456  -2.3640584571
H   -1.8368741710   3.0341370008   2.3774916630
H   -0.9511886111   3.4161611773  -1.8017175091
H    0.6210535667  -3.0436789143  -2.4921766753
H   -0.6720519700  -5.8015019428   0.3205515516
*