! 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  -4.4666896861   2.0461663586   0.4339826034
F   -2.5262810448  -2.3034550058  -1.5366405160
F   -0.4170650927  -1.9348434991  -1.6872909261
F   -1.2046551694  -3.0067852508   0.0018378546
O    1.8522864598   1.6907943512  -0.1104234865
N    2.7613368949  -1.4445193225   0.3048998504
N    0.6154249125  -0.9260646519   0.8393859681
N    4.8709321323  -2.0917102739   0.2924417388
C    1.6370767809  -0.6378554959   0.1504072115
C    1.7213343155   0.4986755348  -0.8381292813
C    1.5617928482   2.8298194071  -0.9001922188
C   -0.5648595842  -0.1986823666   0.6993799864
C    1.4732077345   4.0593378731  -0.0232070036
C   -1.6162804888  -0.6912344461  -0.0822443643
C   -0.7509213886   0.9875279648   1.4037130849
C   -2.8161385043   0.0030390705  -0.1669518752
C    2.7934815343  -2.6859177595   0.9073653167
C    1.2012727350   5.2978806111  -0.8642215358
C    4.0513081965  -1.1438696261  -0.0399210723
C   -1.4445659796  -1.9818207024  -0.8235299905
C   -1.9457966130   1.6786381638   1.3275356384
C   -2.9690985490   1.1835242249   0.5367793471
C    4.0928889428  -3.0642933892   0.8784275436
H    0.7952663481   0.4922041755  -1.4269541527
H    2.5371444770   0.3572541765  -1.5548927465
H    0.6091445979   2.6841006448  -1.4277704635
H    2.3350062131   2.9644185387  -1.6688188943
H    0.6736753196   3.9252386877   0.7105216212
H    2.4034791371   4.1869844051   0.5358485808
H    0.0438311128   1.3640148607   2.0311283447
H   -3.6294099745  -0.3654261793  -0.7756924030
H    1.9054646380  -3.1767992213   1.2642032740
H    0.2790963958   5.1942658905  -1.4388711128
H    1.0997180824   6.1850526918  -0.2400752082
H    2.0110784141   5.4840723523  -1.5716589223
H    4.3324490730  -0.2146059035  -0.5076879724
H   -2.0711407800   2.5985123762   1.8819615708
H    4.5171644515  -3.9872463009   1.2390389710
*