! 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    4.8118457267   1.9717246739  -0.0085404969
F   -1.7701115094  -2.2861348331   0.3276848770
F   -2.1957627879  -1.8043143331  -1.7571912893
O   -1.6230768376   2.4556331546  -0.6043417558
N   -0.5369021476   0.5498116327  -0.0080869198
N   -5.0856372628   0.4965909110   0.4225447175
N   -4.7256927439  -0.7495408826   0.1535656502
C    4.0189709877  -0.8939179590   0.4308326248
C    2.9674285215  -1.9519077730   0.8425571617
C    1.6091028125  -1.5081837257   0.2761573524
C    3.1414097966   0.3136965907   0.1823111711
C    1.7919227974  -0.0163780608   0.1363191199
C    5.0278752988  -0.6876403217   1.5599739759
C    4.7675024831  -1.2855227504  -0.8470252390
C    1.2741449976  -2.1693388376  -1.0613383660
C    0.8077691960   0.9591846286  -0.0533821464
C    3.5100268348   1.6288121730  -0.0168003017
C    1.2156060321   2.2827312725  -0.2318971129
C    2.5644307342   2.6104152530  -0.2222467631
C   -1.6477978235   1.2830740627  -0.2560757022
C   -2.9496706274   0.6232574217  -0.0358077853
C   -3.4385741727  -0.7002652553  -0.1220810549
C   -4.0672564482   1.3543685776   0.3137617837
C   -2.7811621728  -1.9590396583  -0.5377300948
C   -6.4429839759   0.8111693220   0.8144877753
H    2.9040355573  -1.9798753885   1.9325278139
H    3.2460848398  -2.9548891026   0.5137446745
H    0.8193379622  -1.7537493340   0.9925295631
H    5.4947371677  -1.6413346495   1.8145759065
H    5.8268577178  -0.0004154601   1.2843310162
H    4.5468642945  -0.3058131357   2.4615546361
H    4.0926708291  -1.4648002217  -1.6836326126
H    5.4659767390  -0.5045390096  -1.1506849932
H    5.3441195155  -2.1982437767  -0.6849466438
H    1.1343401503  -3.2427992440  -0.9290647353
H    2.0735508698  -2.0260581411  -1.7877555891
H    0.3635028560  -1.7721956065  -1.5057443412
H    0.5005218246   3.0742222956  -0.3726592668
H    2.8686238351   3.6390308164  -0.3654030252
H   -0.6824256587  -0.3813124629   0.3487706198
H   -4.1868208287   2.4085748922   0.5033016307
H   -3.4771538409  -2.7953871571  -0.5797204529
H   -7.0599814223  -0.0675251140   0.6628458970
H   -6.4799095524   1.0980420321   1.8623004668
H   -6.8264414182   1.6246219907   0.2053310048
*