! 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  -7.6149175944  -0.9698069530  -0.0612006742
F    3.7503389140  -1.5514147639  -0.3587112823
F    3.0246726631  -1.6036866722   1.6846293201
F    2.5322257823  -3.1578580989   0.3132366404
O    3.4152417303   0.8572934313   0.7058892144
O   -1.9375966141  -2.2858145885  -0.6186381242
N    2.9991619761   3.5489001830   0.5852442765
N    3.5970530947   4.3485601234  -0.3023199288
N    4.5453712019   4.5712383067   1.7128970537
C    2.5006912147   1.2766676797  -0.2717408419
C    1.3555797659   0.2656023998  -0.3492498419
C    1.9417936191   2.6456394913   0.2107332740
C    3.1512641256   1.4135425376  -1.6471632441
C    1.4356866145  -1.1002806027  -0.0184550830
C    0.1284337279   0.7229533337  -0.8290409060
C    0.2975643401  -1.8987857506  -0.0920892276
C   -0.9970745425  -0.0739984717  -0.9358093051
C   -0.9127849260  -1.3947232289  -0.5348794262
C    2.6929984414  -1.8265484844   0.4109251722
C    3.5784515947   3.6882340298   1.7799146761
C    4.5151485539   4.9407550555   0.4177647069
C   -3.2407627431  -1.9000990792  -0.4842386170
C   -3.6600525250  -0.9850630222   0.4726639884
C   -4.1638871753  -2.5299189993  -1.3066945244
C   -5.0099703644  -0.6945172776   0.5962326097
C   -5.5139515663  -2.2501951238  -1.1737154476
C   -5.9284607255  -1.3285223346  -0.2255175022
H    1.3473982336   3.1468824017  -0.5494165008
H    1.3090242834   2.4965364033   1.0857099111
H    3.5228684193   0.4537052418  -2.0035478642
H    2.4363385551   1.7842836306  -2.3812930089
H    3.9885436148   2.1139858100  -1.6253397024
H    0.0241695344   1.7493661101  -1.1514223661
H    0.3316551929  -2.9437068767   0.1812664923
H    4.3135227372   1.0227121455   0.4029236624
H   -1.9129837363   0.3472021363  -1.3289972560
H    3.2590674062   3.1446616064   2.6550185056
H    5.1865060002   5.6719597476  -0.0055412339
H   -2.9539250612  -0.4986349930   1.1333118772
H   -3.8300487653  -3.2470289458  -2.0455716063
H   -5.3368097658   0.0179037962   1.3414666442
H   -6.2307748825  -2.7477704908  -1.8126516588
*