! 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    0.2902813757   1.0561442343  -1.7800459349
F    5.5794704491  -0.1742257697  -0.1810758164
O   -0.2163059379  -1.0360860329   1.8065184096
N   -2.1093169081  -1.5475577184  -0.3598387415
N   -2.8474210367  -0.8131180487  -1.1987431536
N   -4.1142425625  -1.5935550671   0.4800190436
C    0.0036283015  -0.6079292454   0.4805570411
C   -0.6760311779  -1.6042537100  -0.4845418185
C    1.5044140740  -0.5040765287   0.2376269798
C   -0.6655078931   0.7500653655   0.3475376898
C    2.1900080034  -1.2984481888  -0.6725303789
C    2.2312762162   0.3971425469   1.0142205523
C   -0.4983059641   1.5201937494  -0.7944702982
C   -1.5163898874   1.2536702035   1.3262128888
C    3.5672507905  -1.1951609476  -0.8202545140
C    3.6034926070   0.5183995290   0.8791568059
C   -1.1083222369   2.7431361405  -0.9769600961
C   -2.1509292366   2.4781330601   1.1669151910
C   -2.8749518500  -1.9910525829   0.6387892575
C    4.2490506876  -0.2852094013  -0.0415932265
C   -1.9452423261   3.2258037267   0.0185884985
C   -4.0342201222  -0.8746818739  -0.6555250880
H   -0.4381888389  -1.3978408924  -1.5243260778
H   -0.3422489124  -2.6191409548  -0.2657248705
H    1.6730990341  -2.0160353397  -1.2942839414
H    1.7243410439   1.0269360574   1.7344805671
H   -1.6941930662   0.6868165586   2.2281398941
H    0.2755717147  -1.8542591497   1.9454716977
H    4.0929513053  -1.8155053939  -1.5336262897
H    4.1606494040   1.2251394899   1.4796539077
H   -0.9341691263   3.3039383855  -1.8858376391
H   -2.8056928698   2.8443410287   1.9459176412
H   -2.5045373558  -2.6145606818   1.4356950154
H   -2.4332452049   4.1823742777  -0.1094652919
H   -4.8842138421  -0.3857255247  -1.1048796867
*