! 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  -0.9283263721   1.1851781442  -2.7955353528
Cl  -4.9487552235   2.9053289030   0.2716242833
F    3.3088906601   0.7853429272  -0.4698012980
F    3.8278200845   0.6086935302   1.6160719695
F    5.6868096016  -0.4290786505  -0.0642093630
F    4.2042499925  -1.7844198225  -0.9219586505
O    2.3146779964  -0.7925679101   0.7654084007
N   -0.9313955678  -2.3000309644   0.2342741616
N   -0.4520865601  -2.8005158497   1.3758211328
N   -2.6618011661  -3.1288981280   1.2475794747
C    0.2241996160  -0.1553407180  -0.2774931950
C   -0.0841644552  -1.6004181890  -0.6997133657
C    1.0958118861  -0.0615413830   0.9715294800
C   -1.0517097090   0.6357010286  -0.1326941177
C   -1.6546210176   1.2644551138  -1.2233438893
C   -1.7207128781   0.7260011486   1.0866434638
C    3.4407342513  -0.1169550532   0.5342918636
C   -2.8458657533   1.9634948333  -1.1143525845
C   -2.9125995999   1.4167327485   1.2293358093
C   -2.2506134863  -2.4979990986   0.1747944358
C   -3.4646314466   2.0343415039   0.1216601284
C    4.5509068531  -1.1117995114   0.1977018419
C   -1.5228700193  -3.2871589713   1.9493792481
H    0.8003832274   0.2702206114  -1.1012284228
H   -0.5922932608  -1.5959933255  -1.6630551970
H    0.8350369781  -2.1696697654  -0.8287011765
H    1.2872431068   0.9850536898   1.2154887417
H    0.6345445432  -0.5207944728   1.8426408466
H   -1.3124950763   0.2483702541   1.9674005139
H   -3.2814629200   2.4425474059  -1.9802612838
H   -3.3990345336   1.4647789124   2.1935906901
H   -2.8564752309  -2.1792395942  -0.6591966257
H    4.7280513034  -1.8186230467   1.0091897762
H   -1.4803087226  -3.7805822331   2.9078100084
*