! 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  -1.4464713611  -0.3042263748  -2.3409529831
Cl  -4.8211958126   3.0550026047   0.0743474905
F    3.3075370380   0.2973147211  -1.4769612353
F    4.1313246976   1.6297041515   0.0090158602
F    4.4490968096  -1.8579067102  -0.1986585328
F    5.2737501860  -0.5128260711   1.3133594321
O    2.6957110225   0.0513829617   0.6570912370
N   -0.9202975247  -2.1265614630   0.8766630954
N   -2.1518537945  -1.8747045520   1.3234616150
N   -2.1544353171  -3.6789812130  -0.0015317093
C    0.3224674239  -0.0938840979   0.2189541013
C    0.1928398918  -1.2661769018   1.2006623938
C    1.4820738403   0.8180362361   0.6062091234
C   -0.9572173347   0.7014107793   0.1452669901
C   -1.8137032700   0.6667772720  -0.9520194141
C   -1.3549815506   1.4845638284   1.2270332679
C    3.6886115540   0.3590261011  -0.1745611741
C   -3.0012936863   1.3829941057  -0.9868880620
C   -2.5291967141   2.2144614880   1.2234742849
C   -0.9368711578  -3.2008860388   0.0839694807
C   -3.3453938856   2.1558664680   0.1066413690
C    4.8666056468  -0.5928334043   0.0275875222
C   -2.8570207055  -2.8290534996   0.7728605210
H    0.5478163548  -0.5064724605  -0.7659460983
H    1.0967561536  -1.8733176141   1.1851616062
H    0.0526862583  -0.9123228181   2.2222201806
H    1.5507074113   1.6474451376  -0.0991198982
H    1.3503849438   1.2444842826   1.6008555484
H   -0.7386736131   1.5257323290   2.1161182198
H   -3.6460144476   1.3324034676  -1.8533538946
H   -2.8014704752   2.8123103676   2.0820004887
H   -0.0521553614  -3.5934969815  -0.3935901203
H    5.7006936840  -0.3585373002  -0.6362546953
H   -3.9188729838  -2.9205370008   0.9421516408
*