! 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  -1.1785090005   2.4691113436  -1.2514528163
Cl  -5.4098362648  -0.6128548860  -0.1040930586
O    2.8075464672   1.3800147824   1.9152079460
N    1.2488457685  -1.4145459458   0.1916640266
N    1.7750270171  -2.4355195734   0.8809039375
N    0.6807377520  -3.1877465877  -0.9225658946
C    3.6715816384   0.8156749628  -0.2400771213
C    2.8275613217   0.3442606287   0.9701914190
C    3.7358331744  -0.2855021332  -1.2994389483
C    5.0952040336   1.0905914872   0.2524980577
C    3.0982922309   2.0836371662  -0.8696773261
C    1.4116746642  -0.0747733993   0.6153025461
C    0.3659715505   0.7485829068   0.6833942139
C   -1.0419384359   0.3927353135   0.4719379848
C    0.6002500854  -1.8830049362  -0.8844660880
C   -1.8570050078   1.1400953183  -0.3754404181
C   -1.6320607630  -0.6782417615   1.1448359784
C    1.4052974138  -3.4742478038   0.1801980037
C   -3.1979739133   0.8456244648  -0.5634796979
C   -2.9662489411  -0.9993857965   0.9751833823
C   -3.7385618483  -0.2303125595   0.1185607177
H    3.3297354743  -0.5439808487   1.3802005920
H    4.4705669118  -0.0216674876  -2.0624757596
H    4.0400243971  -1.2467325205  -0.8784174529
H    2.7870736473  -0.4260650100  -1.8185254033
H    5.5413541495   0.2008158234   0.7053212499
H    5.1345027942   1.8946927346   0.9870252444
H    5.7330637484   1.3822131204  -0.5850030278
H    2.0904086490   1.9312035430  -1.2614773859
H    3.7231060442   2.3941886546  -1.7107098775
H    3.0630832060   2.9191927115  -0.1695757933
H    0.5771802372   1.7816412065   0.9339131189
H    2.4257099081   1.0424960682   2.7328654596
H    0.1123944183  -1.2431684803  -1.6036112336
H   -1.0379416852  -1.2672340278   1.8314893166
H    1.6684291746  -4.4789613565   0.4730385086
H   -3.8035349063   1.4427959639  -1.2309022165
H   -3.3946357255  -1.8332959156   1.5132415371
*