! 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  -5.0908720138   1.5582014936  -0.2808021887
F   -0.3455497334  -1.6404559196   1.6387899112
F   -2.3717046153  -2.3498325568   1.7031863729
F   -1.0770572404  -2.9543530995   0.1009432926
O    2.2938571777   1.7955997545  -0.0108304500
N    2.5451418428  -0.9147292281  -0.9159437260
N    0.2914177489  -0.7144108742  -1.0770635361
N    4.6713982759  -1.4993179155  -0.9398355070
C    1.3529948852  -0.2956163940  -0.5397358684
C    1.4625926234   0.7900948322   0.4995597901
C    2.3701292270   2.9518019063   0.8055273190
C   -0.9531374731  -0.1481340446  -0.8291012361
C    3.0818690504   2.7406824188   2.1312449120
C   -1.8478328057  -0.7292874983   0.0769905015
C   -1.3640526721   0.9659321271  -1.5565731829
C   -3.1191770567  -0.1987667474   0.2469931061
C    2.6724176397  -1.8947064490  -1.8803411002
C    3.2222904443   4.0532543666   2.8880796786
C    3.7944614024  -0.7248130809  -0.3857631385
C   -1.4162521914  -1.9200616340   0.8763428262
C   -2.6304403570   1.4960382937  -1.3907914263
C   -3.5017410267   0.9080212906  -0.4891745145
C    3.9826501894  -2.2360623628  -1.8745630534
H    1.8490489642   0.3484457186   1.4273653576
H    0.4622242144   1.1740050107   0.7289038005
H    1.3627047023   3.3543920590   0.9812906506
H    2.9111757780   3.6895979180   0.2093870122
H    2.5354429259   2.0279073411   2.7547135179
H    4.0710613966   2.3112168445   1.9490214194
H   -0.6853039622   1.4142328820  -2.2699309195
H   -3.8139685673  -0.6390008914   0.9481779959
H    1.8364943680  -2.2431747770  -2.4604265530
H    2.2495646935   4.5037041144   3.0943133360
H    3.7197210786   3.9000623539   3.8458137608
H    3.8105997496   4.7799799114   2.3250140624
H    3.9980676008  -0.0129126397   0.3959487980
H   -2.9293378404   2.3624695538  -1.9647116759
H    4.4756153114  -2.9681684648  -2.4942651245
*