! 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    4.7900535805   1.7359656650   0.3587954391
F   -2.7174520603   1.9564474472  -1.7969483599
F   -2.7504406691   2.6612529087   0.2633884370
O   -0.7298801449  -0.8200261817   1.5805671752
N   -0.5241035964   0.4064159281  -0.3063954252
N   -4.7198012096  -1.1732850883   0.3955119550
N   -4.8481178961   0.0373969178  -0.1279977350
C    4.0619397495  -1.1667482032   0.1018051322
C    3.1444894375  -2.2261497431  -0.5352571162
C    1.6946259580  -1.7925299282  -0.2760799772
C    3.1708841238   0.0553236840   0.0327139840
C    1.8302187575  -0.2934372838  -0.1426364066
C    4.3454532720  -1.4997095721   1.5698716416
C    5.3730780727  -1.0511346030  -0.6696229568
C    0.7574658063  -2.2948527240  -1.3666527956
C    0.8521447277   0.6958131583  -0.1605964843
C    3.5062353292   1.3867086462   0.1645707236
C    1.2267622563   2.0321559302  -0.0508899337
C    2.5555036302   2.3884649473   0.1028343562
C   -1.2385965381  -0.2777939411   0.6077286318
C   -2.6900180187  -0.3665467508   0.3664800477
C   -3.6317858218   0.5425736027  -0.1617244543
C   -3.4536977303  -1.4575639955   0.7210184472
C   -3.4575676162   1.9329473224  -0.6432403944
C   -5.8639620113  -2.0483737602   0.5365034448
H    3.3524073460  -3.2303558520  -0.1613899741
H    3.3171508123  -2.2417505821  -1.6164834819
H    1.3543346089  -2.1917014766   0.6851399305
H    3.4253448277  -1.6584069476   2.1354840623
H    4.9431007499  -2.4104486060   1.6456264176
H    4.9005802506  -0.6975256233   2.0590216086
H    5.2077930548  -0.6974101678  -1.6885465184
H    6.0855708059  -0.3823369634  -0.1883374491
H    5.8461283084  -2.0329387245  -0.7355594305
H    0.9762381540  -1.8193766700  -2.3243012371
H   -0.2947199631  -2.1308104536  -1.1429837473
H    0.8898155310  -3.3703196744  -1.4958782629
H    0.4655894775   2.8017235715  -0.0741876011
H    2.8440420765   3.4271731214   0.1934983319
H   -1.0017192047   0.8247605299  -1.0891142760
H   -3.1733821878  -2.4017441937   1.1590937372
H   -4.4082515211   2.4271614535  -0.8392787962
H   -6.7647241563  -1.4745113202   0.3473619522
H   -5.8066439853  -2.8692746623  -0.1745979896
H   -5.9026405404  -2.4492842193   1.5457488026
*