! 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  -7.5151870243  -0.7823307459  -0.0877476481
F    2.5302301885  -3.1872733988   0.4461094601
F    3.7597988564  -1.5978812308  -0.2481091223
F    2.9696168182  -1.5769822571   1.7702898312
O    3.4657953872   0.8683684064   0.7264983231
O   -1.9099246735  -2.3539126568  -0.7472668191
N    2.9298319330   3.5710793915   0.5262391329
N    3.4811478271   3.6246820408   1.7416309601
N    4.4527301607   5.1149341040   0.3756177844
C    2.5023790532   1.2382965285  -0.2238389366
C    1.3638272002   0.2156660375  -0.3437777038
C    1.9083646041   2.6105880145   0.1910917664
C    3.2127335142   1.3534564764  -1.5691007771
C    1.4376347996  -1.1476756440  -0.0018422171
C    0.1563734149   0.6587679834  -0.8849383759
C    0.3121452136  -1.9596667219  -0.1241784145
C   -0.9541780205  -0.1492696348  -1.0384976063
C   -0.8780405177  -1.4661507742  -0.6247151201
C    2.6800491268  -1.8536542289   0.4932450725
C    3.5221203259   4.4590627452  -0.2730502812
C    4.3824174796   4.5605690160   1.6002309788
C   -3.2033768892  -1.9308862260  -0.5783856551
C   -4.1601672638  -2.4750954176  -1.4210489971
C   -3.5688743427  -1.0448144022   0.4260519522
C   -5.4932156371  -2.1302493368  -1.2646182676
C   -4.8997505656  -0.6888322450   0.5735999072
C   -5.8526615210  -1.2317444192  -0.2734252686
H    1.3135063582   3.0499032964  -0.6053322729
H    1.2599107122   2.4986256232   1.0605064602
H    4.0382844402   2.0659792328  -1.5236601374
H    3.6211109222   0.3935917425  -1.8810066750
H    2.5196520031   1.6853806280  -2.3415774096
H    0.0554705013   1.6807101285  -1.2195171972
H    0.3436763418  -3.0021622321   0.1572575126
H    3.1072179577   0.9864659688   1.6136176274
H   -1.8552237357   0.2606443316  -1.4749263228
H    3.2339163094   4.6057912324  -1.3018906475
H    5.0139330821   4.8641981033   2.4200116650
H   -3.8691237791  -3.1708795498  -2.1965897686
H   -2.8337191247  -0.6287986309   1.1020677956
H   -6.2385044536  -2.5559015029  -1.9216133167
H   -5.1842465769   0.0036756122   1.3534256172
*
