! 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  -2.6562225011  -3.1074773596   1.2296112088
F    5.3354743589   0.3757370331   1.1133753666
F    3.4460037478  -0.3591959173   1.8167842618
F    4.3510600708  -1.2160456229   0.0618497732
F   -4.8579338339   1.6233519581   1.3567113270
F   -3.0947484041   2.8148296333   1.0390980465
F   -4.4513158916   2.4564972857  -0.5861324192
O    2.1074492928  -1.4335370696  -2.2561364026
N    1.2671362658  -1.3915093663  -0.1597315075
N   -1.4625362200  -0.3161595897  -1.2983785026
C   -0.6885412239  -2.5902586702  -1.1097635307
C    0.5792116800  -2.6598952140  -0.2475487108
C   -1.5890330605  -1.4814525685  -0.6676213028
C    2.3939442840   0.5571431549  -1.0008529648
C    1.9276000171  -0.8585986106  -1.1951912954
C    3.4278779390   0.9429163365  -0.1461607507
C   -2.4904621349  -1.6080810869   0.3893905017
C   -3.1101467266   0.6639619019   0.1091389517
C   -3.2631518710  -0.5325950590   0.7868776955
C    1.7598438203   1.5189859675  -1.7792962965
C    3.7971249920   2.2812456471  -0.0666741940
C   -2.1906287482   0.7217732202  -0.9296920787
C    4.1414428713  -0.0629840983   0.7074679965
C    2.1265074576   2.8519962435  -1.6924085845
C    3.1461836444   3.2330040429  -0.8346336280
C   -3.8844134138   1.8868951630   0.4833582375
H   -0.4139373718  -2.4152961028  -2.1490254851
H   -1.1907069026  -3.5573713084  -1.0633469416
H    0.3353657886  -2.9660420053   0.7685493170
H    1.2475695539  -3.4179190040  -0.6557083728
H    1.0715863375  -0.8079420599   0.6377674768
H   -3.9611147054  -0.6405083898   1.6058383683
H    0.9646633108   1.2213902084  -2.4507918173
H    4.5984352341   2.5957166461   0.5874988607
H   -2.0350878262   1.6362781749  -1.4909986155
H    1.6184580951   3.5900706395  -2.2986057621
H    3.4429033079   4.2706443446  -0.7643476909
*