! 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    4.9294935751   1.8217492947  -0.1354721775
F   -3.4019096534   0.1706639719  -2.7608828499
F   -4.3721508493   1.8633402899  -1.7822732667
O   -1.4679925268   1.6447950085  -0.9963181789
N   -0.3328951721   0.2286908517   0.3737118961
N   -4.1945101666  -1.1146218686   1.3041748052
N   -4.8038742784  -0.7428404331   0.1865840333
C    4.2843844260  -1.0263616792   0.6043783830
C    3.3071167290  -2.0819346566   1.1781299947
C    1.8863794861  -1.7173620145   0.7130102905
C    3.3490968335   0.1308035526   0.3289266377
C    2.0144286700  -0.2448299197   0.4128138233
C    5.3679686121  -0.6959701057   1.6299151771
C    4.9398617618  -1.5022159727  -0.6955295691
C    1.4177095219  -2.5141032404  -0.5046574473
C    0.9857524067   0.6734562019   0.2017940390
C    3.6458425833   1.4348161831  -0.0137569585
C    1.3177649239   1.9905322031  -0.1125596748
C    2.6491315753   2.3650431871  -0.2298748051
C   -1.4600391972   0.7186562002  -0.2031958324
C   -2.6919755173   0.0282210771   0.2037697193
C   -3.9183714460  -0.0413309703  -0.4893060339
C   -2.9300030059  -0.6839233833   1.3624063514
C   -4.3162576521   0.5035925993  -1.8103948564
C   -4.8862217935  -1.8919474150   2.3105950208
H    3.3431338203  -2.0422244642   2.2688519424
H    3.5896386528  -3.0959198137   0.8886256244
H    1.1781490077  -1.8979282769   1.5288356590
H    6.1139413683  -0.0045925431   1.2392920736
H    4.9407677174  -0.2591614839   2.5337604600
H    5.8923867658  -1.6082943493   1.9211580921
H    4.2021226539  -1.7747862333  -1.4507702811
H    5.5805159910  -0.7299150077  -1.1238505572
H    5.5613886833  -2.3799344296  -0.5079032412
H    0.4220331416  -2.2142951164  -0.8336703751
H    1.3748033639  -3.5777594282  -0.2674800664
H    2.0924411691  -2.3880282687  -1.3515436955
H    0.5563987310   2.7401647351  -0.2569191100
H    2.9035254147   3.3870433932  -0.4784415494
H   -0.4299472101  -0.6229148458   0.9038782034
H   -2.3081464079  -0.8884657918   2.2198715173
H   -5.2917065021   0.1264639676  -2.1188461576
H   -4.9438641624  -1.3368009570   3.2436505484
H   -5.8903227208  -2.0988381458   1.9569004288
H   -4.3676827337  -2.8318124430   2.4825517438
*