! 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  -5.1022666913   1.5538130981  -0.2410702528
F   -0.3029867167  -1.6274390882   1.6034732999
F   -2.3325937825  -2.3164213162   1.7354296333
F   -1.0920237890  -2.9505697065   0.1030577855
O    2.2351349312   1.8210645535  -0.0405070667
N    2.5329936552  -0.8924798580  -0.9089458041
N    0.2766520393  -0.7042977445  -1.1113366621
N    4.6665037150  -1.4591225064  -0.8784868094
C    1.3303946769  -0.2849882990  -0.5521546202
C    1.4233524265   0.8022449547   0.4841312911
C    2.3663331822   2.9442089342   0.8165195762
C   -0.9677605036  -0.1398437849  -0.8473242404
C    3.1535076287   2.6716616510   2.0872134772
C   -1.8451909391  -0.7193372817   0.0762063849
C   -1.3918497288   0.9720563835  -1.5694560733
C   -3.1165702952  -0.1943575244   0.2631601229
C    2.6983400504  -1.8558605518  -1.8854723396
C    3.3522495609   3.9507481103   2.8866792605
C    3.7645437206  -0.7008023678  -0.3401451290
C   -1.3991413581  -1.9040387862   0.8759999515
C   -2.6572819275   1.4990507585  -1.3855177739
C   -3.5134019012   0.9083520589  -0.4714434983
C    4.0106511951  -2.1823918151  -1.8494535421
H    1.8267079426   0.3709330272   1.4085543307
H    0.4205795691   1.1724017212   0.7212978276
H    1.3744578778   3.3433573307   1.0676459738
H    2.8782450203   3.7029395837   0.2214811214
H    2.6374700550   1.9390980056   2.7128915966
H    4.1250012779   2.2424607521   1.8273553520
H   -0.7234426172   1.4229803485  -2.2903717980
H   -3.7980693141  -0.6342726132   0.9771466744
H    1.8867897175  -2.2036317213  -2.4987237281
H    3.9202129968   4.6910636238   2.3212623524
H    2.3975952494   4.4031454052   3.1604506114
H    3.8962117404   3.7521422983   3.8096715731
H    3.9445784364  -0.0074460452   0.4637856993
H   -2.9677734605   2.3646607265  -1.9541896837
H    4.5272037378  -2.9001820123  -2.4656706405
*