! 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  -2.9477390590  -2.5388955898   1.9640412316
Cl  -5.3790463154  -0.9730884643   1.8162453906
F    5.5465778676   1.6361066161  -0.9263807470
F    4.2913923184   0.8960370758  -2.5508683984
O    2.5924545017   2.1039673928  -0.2708159210
N    0.8561300309   0.6297395199  -0.1469838887
N    4.0073990946  -2.0641826041   0.6035222078
N    4.8903921106  -1.5009985084  -0.2077622839
C   -1.9207795564  -0.6009932162  -0.4415381235
C   -3.8251489567   0.6353237483  -0.5599316723
C   -2.3853864960  -0.7980027128  -1.9094226307
C   -3.6842345409   0.0454020254  -1.9895607884
C   -3.2655714429  -0.5158203749   0.2380530788
C   -1.5141167198   0.8514068794  -0.3089840982
C   -2.6834451963   1.6073349833  -0.3818311817
C   -0.2683470650   1.4571935026  -0.2039983041
C   -2.6533186007   2.9858994141  -0.3407331260
C   -3.7895801575  -1.2387886099   1.2059457898
C   -0.2328136636   2.8571513307  -0.1397252518
C   -1.4076997865   3.5927703819  -0.2068800917
C    2.1736959970   0.9679047837  -0.1550132984
C    3.0796179693  -0.1851901000  -0.0123582951
C    4.3565112971  -0.3584088722  -0.5832250297
C    2.9029652608  -1.3209785635   0.7501399608
C    5.1046445056   0.5018354790  -1.5333382025
C    4.2908774883  -3.3314186868   1.2397847127
H   -1.2294557358  -1.3578950459  -0.0767535667
H   -4.8154156759   1.0035832600  -0.3058493875
H   -2.5879473500  -1.8525633283  -2.0985720116
H   -1.6206557505  -0.4769049294  -2.6163104008
H   -3.6387035211   0.8319577540  -2.7424004841
H   -4.5456179588  -0.5822232748  -2.2197403677
H   -3.5579475541   3.5771561216  -0.3998026015
H    0.7028796737   3.3809283307  -0.0353913308
H   -1.3420344352   4.6717644308  -0.1507337841
H    0.6605432920  -0.3577749149  -0.1886508122
H    2.0961929232  -1.6289206318   1.3972300263
H    5.9647757573  -0.0207024164  -1.9546528443
H    3.5126347902  -4.0544215746   1.0057335463
H    4.3560908380  -3.2097251700   2.3191653325
H    5.2410891286  -3.6981102309   0.8650481595
*