! 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    0.8753604361   2.3438237951   1.3952806797
F    4.1434015177  -1.8688727027  -0.9262847542
O   -1.0538018862   0.2505020528   1.7919112648
N   -1.6661619397  -1.8966596883  -0.0833085810
N   -1.0017925064  -2.6762180891  -0.9419036228
N   -1.4504614620  -3.7982034150   0.9486110180
C   -0.8382087721   0.3734883343   0.4051789517
C   -1.8714887379  -0.4946616119  -0.3482453447
C    0.5430575472  -0.1771423974   0.0966485274
C   -0.9485950132   1.8354352687  -0.0039176227
C    1.1116915362   0.0633732632  -1.1494135016
C    1.2151714654  -0.9995073395   0.9919998274
C   -0.0736823924   2.7668262125   0.5480485684
C   -1.9113515114   2.3268916499  -0.8804449989
C    2.3266346340  -0.4997253498  -1.5054355714
C    2.4317488065  -1.5749003158   0.6522402205
C   -0.1219761843   4.1128391689   0.2536705789
C   -1.9864689911   3.6782977812  -1.1930930860
C   -1.9132704115  -2.5746529628   1.0376206538
C    2.9656702717  -1.3146205918  -0.5922428664
C   -1.0923099765   4.5713369966  -0.6265801705
C   -0.9021946119  -3.7979092277  -0.2803361760
H   -2.8867776491  -0.2256050145  -0.0525331792
H   -1.7925404020  -0.3634663005  -1.4247480661
H    0.6057305865   0.6955960513  -1.8689821321
H    0.8027309036  -1.2154598511   1.9669405073
H   -2.6245372940   1.6578102989  -1.3412207494
H   -1.9167715830   0.6267936260   2.0012634182
H    2.7636209898  -0.3073480724  -2.4761609710
H    2.9527987502  -2.2145725028   1.3522608379
H    0.5891761102   4.7907328458   0.7069915316
H   -2.7456100989   4.0264931715  -1.8797270274
H   -2.4490152642  -2.1578811591   1.8743420309
H   -1.1421197999   5.6248195544  -0.8657370095
H   -0.4165616978  -4.6609942255  -0.7080918933
*