! 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  -1.0826280752   0.6529115895  -2.7307919447
Cl  -4.8283221013   3.0302918935   0.2455409314
F    3.9842142409   1.4244187456  -0.4263359340
F    3.7915638911   0.5573818731   1.5408454810
F    4.7707305172  -1.0349635916  -1.4257845632
F    4.5955245184  -1.8790477747   0.5821099974
O    2.5289367379  -0.2398638846  -0.1201189200
N   -1.0098263338  -2.3039917892   0.8872778763
N   -1.7794867872  -2.4742646018   1.9628251490
N   -2.6371329965  -3.5678921683   0.2094003340
C    0.1521460124  -0.3605908416  -0.0892206171
C    0.1888154077  -1.4936047733   0.9386670981
C    1.3544329142   0.5609279412   0.0707706870
C   -1.1034890200   0.4751076352  -0.0149443095
C   -1.7279749089   0.9788336705  -1.1548720061
C   -1.6712803543   0.8108287986   1.2120102304
C    3.7166075429   0.2609715897   0.2180993969
C   -2.8709940629   1.7610084155  -1.0909069158
C   -2.8082893292   1.5934222822   1.3110878126
C   -1.5321225824  -2.9589733848  -0.1510240334
C   -3.4025658251   2.0589776204   0.1508386599
C    4.8242209484  -0.7400142706  -0.1083392829
C   -2.7409455491  -3.2390414976   1.5104393179
H    0.2172520933  -0.8114472072  -1.0823570087
H    1.0547472124  -2.1288056795   0.7565598946
H    0.2723313637  -1.1212498123   1.9583630874
H    1.3179961913   1.3535129405  -0.6794052531
H    1.3495449058   1.0240397688   1.0609429440
H   -1.2220164639   0.4560096852   2.1298464563
H   -3.3346717874   2.1289308523  -1.9955670527
H   -3.2211394290   1.8300516843   2.2816507943
H   -1.0824526265  -2.9721713477  -1.1319204862
H    5.8135454818  -0.3528968014   0.1403802017
H   -3.5476688623  -3.5731306825   2.1444062624
*