! 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  -4.6130990150   1.9557179000   0.3397493559
F   -1.1188213254  -2.9963252377   0.2288325035
F   -2.5181414715  -2.4586743299  -1.3064539120
F   -0.4395887451  -1.9662422280  -1.5326892330
O    2.4797562364   1.4793150880  -0.5385460965
N    2.7544330220  -1.2244491544   0.4742991461
N    0.5733862335  -0.7875094367   0.9563328910
N    4.1552934176  -2.6117507044   1.4659629706
C    1.5679668459  -0.5414471495   0.2137823846
C    1.6094683809   0.4437844701  -0.9248891968
C    2.2735572383   2.6922969316  -1.2483498005
C   -0.6401021686  -0.1301144185   0.7713163162
C    1.1886275807   3.5549067944  -0.6265203091
C   -1.6735301157  -0.7158364216   0.0317728656
C   -0.8633984613   1.1020608128   1.3784266916
C   -2.8959719602  -0.0720248751  -0.1003042735
C    3.9490236006  -1.1403988191  -0.2166345333
C    1.0373242908   4.8730776600  -1.3708158845
C    2.9511608096  -2.1330435280   1.4795766636
C   -1.4429438502  -2.0340779922  -0.6401143713
C   -2.0793902101   1.7482040700   1.2484672998
C   -3.0885474736   1.1548128008   0.5091642170
C    4.7875172509  -1.9991055278   0.4080235533
H    0.5967628432   0.8068404681  -1.1171318738
H    1.9490353603  -0.0514575233  -1.8431853548
H    2.0460783654   2.4883222193  -2.3018241799
H    3.2273307117   3.2237426183  -1.2254902706
H    0.2320556385   3.0250439129  -0.6292227456
H    1.4409801261   3.7450481372   0.4197608982
H   -0.0725452401   1.5595508863   1.9573650372
H   -3.6957556371  -0.5137422172  -0.6773053892
H    4.1007805801  -0.4992233527  -1.0661957146
H    1.9706585121   5.4386572387  -1.3750065556
H    0.7417903896   4.7147694303  -2.4092225910
H    0.2767261573   5.4995694000  -0.9053321738
H    2.1750115007  -2.3940701612   2.1787117965
H   -2.2302791521   2.7101897541   1.7182704161
H    5.8139829796  -2.2121589170   0.1582496691
*