! 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  -5.3332897785   0.7001745049   0.9817954004
F   -0.1596477070   0.2782949094  -2.0041699163
F   -0.5818330580  -1.8260060493  -1.8640478003
F   -2.0119143414  -0.5026028451  -2.7600795179
O    2.3298030945   1.9542683392   0.9265104474
N    2.5602476389  -0.8743757319   0.9496762679
N    0.3103729179  -0.9884282224   0.6894682818
N    4.1388664981  -2.2550511362   0.2671200714
C    1.3030559537  -0.2664750199   0.9987701484
C    1.2690326275   1.1878851153   1.4171192783
C    2.2459272510   2.3440945068  -0.4377046701
C   -0.9970706774  -0.5172513740   0.7407154813
C    2.9186381867   1.3866018719  -1.4084568632
C   -1.7646077691  -0.3820607159  -0.4223738973
C   -1.6042691845  -0.2809239752   1.9723075920
C   -3.0957754896   0.0026329256  -0.3443698282
C    3.7090148079  -0.5175796057   1.6241918726
C    2.9270516033   1.9690716232  -2.8143994407
C    2.8911988789  -1.9235808986   0.1395450906
C   -1.1335501406  -0.6129392275  -1.7606193147
C   -2.9328828231   0.0926523695   2.0554644839
C   -3.6708407406   0.2335278010   0.8927733187
C    4.6582372024  -1.3858997490   1.1981949683
H    1.3112149122   1.2319788889   2.5094277732
H    0.3008595249   1.6090880370   1.1238407986
H    2.7422808490   3.3157780879  -0.4986223513
H    1.1987322658   2.5058440300  -0.7224424891
H    3.9425379318   1.1947887139  -1.0774488739
H    2.4104956484   0.4210947700  -1.4316236978
H   -1.0305869208  -0.4092906307   2.8807645165
H   -3.6907535843   0.1240371467  -1.2382198000
H    3.7485685301   0.2711530564   2.3537409270
H    3.4797920281   2.9090785872  -2.8551179543
H    3.3944666444   1.2814215485  -3.5187228439
H    1.9151258054   2.1659827677  -3.1729032497
H    2.1754832710  -2.3791042668  -0.5252687908
H   -3.3822120630   0.2685482525   3.0228906788
H    5.6869303008  -1.4394971125   1.5154657570
*