! 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
F    2.0196569703   2.0416209491   1.9756796198
F    3.6370521517   2.7668686923   0.6952690049
O    2.3431134666  -1.0025942144   2.3740206314
N    0.5556236428  -2.0209842654   1.4766893275
N    2.0414322108   0.2495637580  -1.8900900481
N    2.6589269574   1.1855782472  -1.1753742420
C   -2.3077978082   1.0282408246  -0.1019145147
C   -1.5726634839   0.2686504593   1.0305861974
C   -3.4095265198  -0.0423402697  -0.2425742540
C   -2.7079775198   0.1550363090   2.0765924453
C   -3.9685255588  -0.0636728250   1.2022811637
C   -1.4496818417  -1.1027533560   0.4189740761
C   -2.5807426696  -1.2887200675  -0.3827221178
C   -1.4872501669   1.3641180692  -1.3434591052
C   -0.5463126588  -2.1346988541   0.5935570758
C   -2.8131728654  -2.4842550696  -1.0310956643
C   -0.5288224621   2.5113723154  -1.0405416686
C   -2.3785962938   1.7269201765  -2.5257919882
C   -0.7662940381  -3.3422091075  -0.0743851279
C   -1.8827763653  -3.5125353914  -0.8777847463
C    1.5805910797  -1.1463526864   1.4210489694
C    1.8061013018  -0.3956351446   0.1805359215
C    2.5371792671   0.8057555899   0.0759993155
C    1.5020348232  -0.7087196585  -1.1296399554
C    3.0648727556   1.6409372503   1.1894730006
C    1.9042019797   0.3868893932  -3.3231910908
H   -2.7395391561   1.9601509223   0.2843227677
H   -0.6549096680   0.7141518935   1.4121139906
H   -4.1683557205   0.1121890396  -1.0075863296
H   -2.7805096716   1.0801040137   2.6502750906
H   -2.5339277271  -0.6540704123   2.7860856854
H   -4.4870588289  -0.9957812029   1.4272720678
H   -4.6859481525   0.7473762289   1.3355947557
H   -0.8957943740   0.4863935525  -1.6257290959
H   -3.6959356983  -2.6294580029  -1.6413450117
H    0.0999360131   2.3077163478  -0.1738435971
H    0.1328295926   2.7125707796  -1.8847999939
H   -1.0821963058   3.4312426932  -0.8338745162
H   -1.7793012633   2.0480677551  -3.3801819041
H   -2.9870161452   0.8848299295  -2.8576784519
H   -3.0555921282   2.5471940632  -2.2738659486
H   -0.0535964890  -4.1490930146   0.0393379050
H   -2.0320097623  -4.4558068757  -1.3866331851
H    0.5244296802  -2.5926728218   2.3107551806
H    0.9775202386  -1.5423432833  -1.5672529582
H    3.7895740356   1.1331861364   1.8223767546
H    2.5048628242   1.2291761579  -3.6494230060
H    2.2518242786  -0.5132113389  -3.8242323971
H    0.8645481861   0.5649129277  -3.5928883647
*