! 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    0.5360290883   1.6436107149  -1.0665663250
F    0.4837933850   1.5866189874   1.1098514516
F   -2.6228774123   1.8878688921  -2.5185936550
F   -3.0362668811   2.0838340809   2.1198071125
F   -3.2300408100   3.2638496710  -0.2896255852
O    2.6798224948  -2.5185115567   0.0974456979
N    0.7148731157  -1.3869007916   0.0183261295
N    4.6417210056   1.0388056257   0.0463665508
N    3.6421536452   1.9093255269   0.0546531789
C   -1.5810803979  -2.0634886153   0.0841673943
C   -0.2233354048  -2.4270371423   0.0850029492
C    2.8300307312  -0.1948690524   0.0441681500
C   -2.0036037015  -0.6432930954  -0.0142777384
C    2.5376682145   1.1932336412   0.0529938553
C    2.0689244776  -1.4593574544   0.0541267903
C    4.2128303066  -0.2236689373   0.0413182328
C   -2.5597121740  -3.0433789081   0.1786553965
C    0.1105425218  -3.7805620789   0.1634209686
C   -2.3173593029   0.0673891095   1.1398044230
C   -2.1025270465  -0.0337343152  -1.2613879791
C   -2.2250562789  -4.3855113173   0.2642193667
C    1.2629208560   1.9481656186   0.0493565572
C   -0.8868931611  -4.7409841217   0.2513461161
C    6.0191395039   1.4862829438   0.0481256832
C   -2.5164103860   1.2788573627  -1.3378114671
C   -2.7280417924   1.3786737408   1.0313350719
C   -2.8324088777   1.9968714326  -0.2003374214
H    0.3045417278  -0.4692943822  -0.0292953907
H    4.9002525360  -1.0531103685   0.0355694621
H   -3.5995022173  -2.7427351993   0.1811088967
H    1.1379829743  -4.0995231756   0.1593693883
H   -2.2393541063  -0.3916799401   2.1161872589
H   -1.8606250125  -0.5725361349  -2.1678251142
H    1.4234282310   3.0253977855   0.0802424482
H   -2.9989486544  -5.1371530402   0.3365157376
H   -0.6011314914  -5.7827370197   0.3118531284
H    6.0289472207   2.5709823329   0.0490953889
H    6.5316554723   1.1226458196   0.9351158045
H    6.5333960352   1.1247542808  -0.8387141936
*