! 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   -2.2432483381   0.5803662024  -2.5128130205
F   -1.6686085518  -1.2200346312  -1.4800494803
F   -3.6482631415  -1.0228543729  -2.2848099665
O    4.5615379447  -0.0090550793   0.0287763603
O   -0.1996475286   1.1563213864  -0.4224351148
N   -0.1323026674  -0.3320154005   1.3084454151
C    4.3319687298   0.9188795476  -1.0399895185
C   -2.2351743567   0.5801244914   0.6438370898
C    1.2254693131  -0.6601710049   1.4122427357
C    3.5372654907  -0.4983569900   0.7582566243
C   -3.1445285291   0.2329071725  -0.3594941811
C    2.2116484924  -0.0986637898   0.6012032931
C   -0.7514857606   0.4952835311   0.4396223048
C    5.6649526330   1.5835213571  -1.3132560480
C    3.7917142423   0.2111416363  -2.2697915491
C    1.5635353149  -1.6060917963   2.3772078791
C    3.8782224574  -1.4474556009   1.7217171247
C   -2.7073725527   1.0981696494   1.8427668564
C   -4.5040416601   0.4171611729  -0.1512349807
C    2.8872885701  -1.9871377762   2.5213778349
C   -2.6755289040  -0.3542992874  -1.6584732922
C   -4.0670620353   1.2903237099   2.0418947091
C   -4.9638993714   0.9521004820   1.0436420548
H    3.6250599150   1.6867558629  -0.7088705171
H    1.9390792324   0.6359348960  -0.1363040364
H   -0.7354859887  -0.8319634369   1.9462019412
H    5.5500204230   2.3265494122  -2.1018073055
H    6.0447036330   2.0951734536  -0.4287574445
H    6.4112485285   0.8589293692  -1.6426557641
H    2.8428273851  -0.2929169924  -2.0854776347
H    4.5037758563  -0.5307205844  -2.6347693799
H    3.6245405273   0.9360307597  -3.0666902567
H    0.7981898824  -2.0432924424   3.0060715531
H    4.9100233268  -1.7517516809   1.8385892149
H   -2.0090029572   1.3722814375   2.6228200967
H   -5.2223774855   0.1437032244  -0.9111412424
H    3.1488171501  -2.7222881129   3.2706363519
H   -4.4192713306   1.7047505920   2.9763597770
H   -6.0255319678   1.0941554283   1.1898847115
*