! 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  -0.6227086577   0.6397922403  -2.4995282640
Cl  -4.8905308854   2.8956880719  -0.2107465904
F    2.9429557956  -0.0841425644  -1.3718337623
F    3.9636619095   1.5013922550  -0.3233520130
F    4.2227930824  -1.9600809679   0.1709637337
F    5.2620970516  -0.3651864968   1.2434442766
O    2.6214543284   0.1457459674   0.8305663272
N   -0.9234798849  -2.2209603166   1.1013950940
N   -0.9875159739  -2.9360510587  -0.0227440391
N   -2.8502531332  -3.2207140796   1.1963781585
C    0.2541361516  -0.2033960285   0.3352908891
C    0.1795230140  -1.3291523982   1.3681593006
C    1.3486480133   0.7974205614   0.6969464145
C   -1.0396187522   0.5574392191   0.1877590950
C   -1.5153204411   0.9777717540  -1.0530683405
C   -1.7922615350   0.9160929291   1.3037420421
C    3.4956494864   0.2355309901  -0.1745988797
C   -2.6956231408   1.6919275281  -1.1914914396
C   -2.9723444328   1.6319136930   1.2015961151
C   -2.0399528308  -2.3900391805   1.8071035928
C   -3.4167375882   2.0080762357  -0.0540659143
C    4.6832472440  -0.6932974183   0.0674043626
C   -2.1546586087  -3.5169096978   0.0844898448
H    0.5002375731  -0.6609287101  -0.6232668975
H    1.1039449914  -1.9045230352   1.3559613961
H    0.0554381570  -0.9500667123   2.3818477797
H    1.3845284156   1.6033374303  -0.0385146548
H    1.1459384108   1.2520362120   1.6669836540
H   -1.4529180386   0.6399503614   2.2938090035
H   -3.0411183509   1.9961020553  -2.1695057858
H   -3.5323612101   1.8889954745   2.0892935472
H   -2.2123186414  -1.9111236978   2.7579202987
H    5.4196686060  -0.6337204928  -0.7347518915
H   -2.5195458153  -4.1900509618  -0.6752793280
*
