! 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   0.7381294984  -1.4211666266  -2.2674944687
Cl   4.9418034843   0.8511322599   0.0903277583
O   -1.3294582729  -1.5766839834  -0.1640731305
O   -1.5523325646   0.0915918541   1.3101493313
N   -1.3283886357   2.0170063117  -0.8729326276
N   -0.3406804921   2.5339755254  -1.6069815197
N   -1.1274114314   4.0578573337  -0.1681592883
C   -1.0085876225  -0.2353799769   0.0686253346
C   -1.8267603341  -2.1732126628   1.0360323961
C   -1.5433603207  -1.0991363982   2.0805003923
C   -3.3014924376  -2.5090739789   0.8748816583
C   -1.7012985614   0.6311510170  -0.9910191921
C    0.5037660031  -0.0150866714   0.0660664647
C   -3.8745318382  -3.3438548524   2.0177131220
C    1.3442868312  -0.4953599678  -0.9354614223
C    1.0858562795   0.7575142876   1.0660768608
C   -3.3339885373  -4.7653696240   2.0827591953
C    2.7069019883  -0.2395675874  -0.9337132272
C    2.4427297054   1.0319626821   1.0927307838
C   -1.7848919537   2.9340743432  -0.0154114769
C    3.2445480863   0.5242805752   0.0869084081
C   -0.2558596242   3.7566790866  -1.1515612799
H   -1.2420178479  -3.0754191806   1.2325974625
H   -2.3090372624  -1.0157783137   2.8517842108
H   -0.5754012924  -1.2505332525   2.5704801955
H   -3.4368141394  -3.0503073797  -0.0663362128
H   -3.8695406808  -1.5777620669   0.7824698763
H   -2.7815513261   0.5371170876  -0.8764655926
H   -1.4401735269   0.3001786118  -1.9930275524
H   -4.9595251464  -3.3831233207   1.8978415669
H   -3.7044563718  -2.8423031381   2.9754690997
H    0.4679526541   1.1663517913   1.8532625225
H   -2.2643923743  -4.7972566553   2.2951734939
H   -3.8315999907  -5.3359431354   2.8681766065
H   -3.4972877878  -5.2935615471   1.1413826382
H    3.3353354662  -0.6280642723  -1.7229185415
H    2.8589032251   1.6357890653   1.8872457751
H   -2.5877134751   2.7438066705   0.6790522840
H    0.4576429338   4.4626093451  -1.5476799965
*