! 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 "WATER"
end
*xyz 0 1
Cl  -1.4633166315   1.3282785193  -2.8728407713
Cl  -4.9778250034   2.7410345879   0.8985576852
F    3.6706563012   0.0214580845   1.8453241608
F    3.1545104735  -1.9075774845   1.0236987309
F    5.2183499952   0.5757818838  -0.3359169105
F    4.6593235049  -1.3361126358  -1.2318596174
O    2.5608915259  -0.0674897937  -0.0914951498
N   -0.7378596269  -2.0824612559  -0.1032237650
N   -2.0733501655  -2.1059729466  -0.1156616041
N   -1.2889838793  -3.2340875590   1.6587992857
C    0.2523697449   0.1461403850  -0.6143595439
C    0.0163381455  -1.3056932217  -1.0602426833
C    1.2907791958   0.2650002891   0.4930163887
C   -1.0426532634   0.8170710757  -0.2367833471
C   -1.8911800296   1.3713779365  -1.1926131538
C   -1.4719839319   0.8693241938   1.0867352878
C    3.4936663321  -0.6364786506   0.6756174221
C   -3.0988121680   1.9645084237  -0.8620289962
C   -2.6718647429   1.4542931649   1.4531968613
C   -0.2901624783  -2.7535764224   0.9592550188
C   -3.4761789484   1.9997026092   0.4688744143
C    4.8313195826  -0.6886646857  -0.0590246689
C   -2.3511180271  -2.8053363580   0.9530167812
H    0.6691327174   0.6590277073  -1.4850451793
H   -0.5316924377  -1.3245142352  -1.9995132363
H    0.9656004434  -1.8091922184  -1.2405347669
H    1.3327454655   1.2910993518   0.8617543943
H    1.0666630543  -0.3863769667   1.3413716874
H   -0.8643116590   0.4416679816   1.8733204337
H   -3.7294948170   2.3905261392  -1.6295718639
H   -2.9675836115   1.4783417233   2.4922472309
H    0.7581161994  -2.8907696897   1.1710490309
H    5.6019104067  -1.1881039519   0.5292215421
H   -3.3702146562  -3.0219604845   1.2332037477
*
