! 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   6.4758047801  -1.4957318166   2.0853924230
N   -3.4432122090   0.6629317848   0.4161007068
N   -3.8103322568   1.9422097193   0.3125021570
N   -5.5037395793   0.5948357422  -0.2569902652
N   -1.9879773795  -2.4197463327  -1.2390716874
C   -1.2102110917  -0.0607455313  -0.4229590305
C    0.2681661514  -0.1898220305   0.0179133595
C   -2.0998838400   0.3050209116   0.7918221376
C   -1.3378490462   0.9836060558  -1.5264252490
C    0.5410545918  -1.2143072541   1.1211622498
C    2.0169410061  -1.3086712934   1.3891685353
C   -1.6465484235  -1.3734567645  -0.9056026522
C   -1.7975806392   0.6715670332  -2.7998735486
C   -0.9850339720   2.3025653467  -1.2459805801
C    2.8185631083  -2.1765616354   0.6526869872
C    2.6242134949  -0.4985047693   2.3439357718
C   -1.8971363535   1.6547662555  -3.7767345984
C   -1.0833647538   3.2823849486  -2.2195413048
C   -4.4623783559  -0.1304300265   0.0678053401
C   -1.5408408891   2.9621911528  -3.4911557540
C    4.1880270069  -2.2416957146   0.8590360855
C    3.9926790832  -0.5483169261   2.5648798909
C   -5.0494937247   1.8535828092  -0.0934682967
C    4.7645543166  -1.4224840475   1.8167522321
H    0.6008438414   0.7953930594   0.3509704368
H    0.8603648620  -0.4342650673  -0.8664581665
H   -2.1409815670  -0.5215935119   1.4992205249
H   -1.6683724092   1.1583713394   1.3111415364
H    0.1586491916  -2.1963939815   0.8315620127
H    0.0244359545  -0.9333024368   2.0409901454
H   -2.0855307494  -0.3403622758  -3.0551319497
H   -0.6334289040   2.5834343349  -0.2610219673
H    2.3708063439  -2.8201109163  -0.0952967821
H    2.0238610740   0.1840632654   2.9337521317
H   -2.2567047295   1.3896104435  -4.7624298736
H   -0.8050748821   4.3007892198  -1.9815827518
H   -4.4067207079  -1.2078486031   0.0802507196
H   -1.6185613880   3.7280031537  -4.2518608750
H    4.7940356074  -2.9253784844   0.2798745168
H    4.4465934613   0.0868123199   3.3136262370
H   -5.6551998692   2.7295345318  -0.2662581969
*