! 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   -3.4003626081  -0.9560638016  -1.0935720875
F   -2.5155775971  -1.7088674261   0.7139770309
F   -3.9524706357  -0.1129893411   0.8029342025
O    1.8655539228  -1.5702405907   0.4142162161
N    1.8876260513   0.6432202168  -0.1303238691
N    3.8523567948  -0.5322914043   0.0465447771
C    0.5281104817   0.9347332692  -0.1584413784
C   -1.8195599713   0.4212838460  -0.0363096635
C   -0.4958148484   0.0029105532   0.0184647873
C    0.1859276412   2.2703412980  -0.3918671408
C   -2.1583284541   1.7463961420  -0.2706535869
C    2.5021841562  -0.5572776045   0.1301709853
C   -1.1363076099   2.6663203158  -0.4474509229
C   -2.9152368886  -0.5891247502   0.1032142186
C    4.6252935308  -1.7173527019   0.3550882101
C    4.6031933700   0.6572379576  -0.3085230383
H   -0.2584641330  -1.0315897151   0.1976914001
H    2.4752791117   1.4415881789  -0.3097422039
H    0.9681769673   3.0070302970  -0.5310026712
H   -3.1889943888   2.0704954756  -0.3156135909
H   -1.3716977811   3.7058788546  -0.6296294422
H    3.9778058939  -2.5373281510   0.6450198129
H    5.3142814037  -1.5210964550   1.1778580288
H    5.2088124336  -2.0338594832  -0.5106148729
H    4.3137692308   1.0540930660  -1.2830868563
H    5.6559643546   0.3979098300  -0.3748739590
H    4.5134280389   1.4478332047   0.4399859737
*