! 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   0.3459406301  -1.1545773028   2.3410060106
Cl   1.1572417431  -5.3447619218  -0.8488325322
O   -0.6705311090   0.9401639721   0.5610243205
O    0.1571675311   1.2027585285  -1.5019588985
N    1.5458962355   2.6768227381   0.4760980069
N    1.9030340397   3.5506188901  -0.4670810485
N    0.9364015628   4.6072126035   1.2540722048
C    0.4179843158   0.6291147468  -0.2602745452
C   -1.7175937927   1.5195516749  -0.2152235032
C   -1.2504290775   1.2663595528  -1.6413175938
C   -3.0517464288   0.8973734798   0.1379309449
C    1.7006653757   1.2590697122   0.2943587833
C    0.5907546718  -0.8846847875  -0.3722355780
C   -4.2071996508   1.5595360054  -0.6042534813
C    0.5677858163  -1.7423182863   0.7267784979
C    0.8180271001  -1.4567549471  -1.6201182605
C   -5.5566062563   0.9775784574  -0.2139009232
C    0.7410667173  -3.1115459895   0.5897046609
C    0.9906479754  -2.8203770598  -1.7869616068
C    0.9642668756   3.3189774750   1.4927607266
C    0.9458719017  -3.6390692307  -0.6730319393
C    1.5227204340   4.6925838657   0.0430482244
H   -1.7489944102   2.5975774483  -0.0121624986
H   -1.6538293515   0.3265739571  -2.0404669927
H   -1.4934392489   2.0712788408  -2.3330708061
H   -3.2143026987   0.9921709537   1.2153998347
H   -3.0239113243  -0.1743550927  -0.0846364081
H    2.5301154307   1.0868891366  -0.3898958308
H    1.9640348520   0.8070627007   1.2491479131
H   -4.0698243218   1.4556173211  -1.6851769386
H   -4.2008857588   2.6343396451  -0.3994246305
H    0.8625778052  -0.8240039058  -2.4956189742
H   -6.3713440485   1.4758698053  -0.7409427922
H   -5.6158597356  -0.0867376045  -0.4496239250
H   -5.7421614091   1.0879691783   0.8563646277
H    0.7157306539  -3.7537356357   1.4592276642
H    1.1582533293  -3.2299211020  -2.7733082401
H    0.5939856311   2.8169740113   2.3723306674
H    1.6770123745   5.6267010787  -0.4746909246
*