! 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    2.5884684058  -0.3121263247  -2.7070023838
F    3.0591531050  -2.1022702248  -1.5592716054
O    0.8857053857  -0.5032196653   1.7852125090
N    0.5272141319  -0.4422457853  -0.4477122698
N    4.5936466358   1.1346610750   0.8356000620
N    4.7598865170   0.5406956551  -0.3372215372
C   -3.3971592635   1.1889343845   0.7738286368
C   -1.9797979849   0.7026941173   1.1615257855
C   -4.0330451522  -0.2100341445   0.9557100435
C   -2.2575202663   0.1221069182   2.5696285652
C   -3.6685784134  -0.4989772320   2.4298431680
C   -1.8327877052  -0.4732684067   0.2348069985
C   -3.1067270709  -1.0432767800   0.1123465400
C   -3.5567891510   1.8485786477  -0.5925060920
C   -0.7665978013  -1.0117316048  -0.4593825577
C   -3.3301631665  -2.1478233870  -0.6818764451
C   -2.7083187923   3.1126745974  -0.6871348172
C   -5.0215698200   2.1758182704  -0.8644699433
C   -0.9896404100  -2.1245717389  -1.2780841228
C   -2.2514499946  -2.6832606882  -1.3881774171
C    1.2914305303  -0.2881635601   0.6513860512
C    2.6726796458   0.1776193146   0.4248535116
C    3.6095413089  -0.0413288223  -0.6092580185
C    3.3703534476   0.9371080403   1.3391194620
C    3.5107827503  -0.8510869797  -1.8461798580
C    5.6582230576   1.9104197484   1.4358120365
H   -3.7778329370   1.8836731516   1.5337038211
H   -1.1780056943   1.4373541764   1.1350729173
H   -5.0929825330  -0.3152089712   0.7286106568
H   -2.2510300486   0.9249353987   3.3086491011
H   -1.5001639367  -0.6000196509   2.8664672410
H   -3.6891386448  -1.5652815096   2.6566362350
H   -4.3849923764  -0.0128975243   3.0939527858
H   -3.2169029118   1.1549201057  -1.3689703543
H   -4.3184868409  -2.5798119956  -0.7793587457
H   -1.6422527397   2.9012143895  -0.5932836983
H   -2.8547405585   3.6126271693  -1.6463862300
H   -2.9738217763   3.8256519411   0.0977593557
H   -5.6482229478   1.2829262296  -0.8787335420
H   -5.4234745820   2.8491166013  -0.1028874562
H   -5.1396924536   2.6684517454  -1.8313087660
H   -0.1611638786  -2.5457747299  -1.8351013479
H   -2.3986788384  -3.5390731449  -2.0338610264
H    0.9348333027  -0.2517515236  -1.3494454219
H    3.0692820306   1.3527528459   2.2871282940
H    4.4624121370  -0.9226192671  -2.3708130175
H    5.8492413376   1.5618331559   2.4473711775
H    6.5565348380   1.7841593387   0.8413138626
H    5.3926015645   2.9645495827   1.4631968902
*