! 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   3.8063957642   3.8874986364   0.8732996268
O   -0.7417687194  -0.2899632155   1.0893882886
N   -1.3398981022  -2.9626800744   0.0000125297
N   -0.2948096793  -3.1112595232   0.8205409149
N   -0.2513302219  -4.6732732515  -0.7753189030
C   -1.6686275603  -0.4948152125   0.0476868202
C   -2.7720925993   0.5990224217   0.2323814074
C   -1.0016600143  -0.3868513372  -1.3524666759
C   -2.2980750167  -1.8950347548   0.2044669345
C   -3.5059082046   0.4263402868   1.5682641040
C   -2.1308009507   1.9923410458   0.2368502232
C   -3.8078858583   0.5463618720  -0.8941351438
C    0.5124452181  -0.6144072095  -1.4191750847
C    1.3403918704   0.5031837659  -0.8429889996
C   -1.2997338579  -3.8988547264  -0.9466060996
C    1.2700904303   1.7869174369  -1.3776572330
C    2.2117317554   0.2894156693   0.2201754871
C    0.3311863027  -4.1475114425   0.3157138292
C    2.0215464588   2.8312480644  -0.8606227808
C    2.9760435268   1.3174066174   0.7516796365
C    2.8675849648   2.5871796088   0.2088530559
H   -1.1995535336   0.5931979762  -1.7878797548
H   -1.4814647035  -1.0905323454  -2.0383120152
H   -2.7170601481  -2.0239330877   1.2019706151
H   -3.0989381733  -2.0511917181  -0.5158733235
H   -4.1785475561   1.2717893803   1.7299891483
H   -2.8181637553   0.3927846975   2.4135883845
H   -4.1274148812  -0.4708409290   1.6018171449
H   -1.3929180581   2.1067919244   1.0300929847
H   -2.9036401180   2.7480930541   0.3962274783
H   -1.6409280526   2.2392228366  -0.7062869962
H   -4.5463194152   1.3383238320  -0.7534533850
H   -3.3681394711   0.6964490138  -1.8810638966
H   -4.3614507305  -0.3941394852  -0.9176948229
H    0.7675569438  -0.7203932888  -2.4775744359
H    0.8036109994  -1.5584804174  -0.9567910865
H   -0.2369954956  -1.1016298120   1.2381507619
H   -2.0461299388  -3.9829617111  -1.7209658900
H    0.6167945070   1.9883523836  -2.2187794933
H    2.3016760474  -0.7001368769   0.6528922869
H    1.2375874866  -4.5344700656   0.7548361918
H    1.9457903105   3.8209575742  -1.2908701338
H    3.6418893128   1.1263120772   1.5827947305
*