! 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
S    1.9679362462  -1.7576731281   1.3728731225
F    1.2534487136   2.7789828523   1.9049780177
O    0.6507806952   1.9704128937  -0.7157467335
O    2.0330780640  -0.8024997330   2.4647314059
O    2.5452443573  -3.0720360417   1.5488773901
O   -0.5032535746   3.5569097378  -2.4803628709
O   -0.3702338514   0.1365138842  -1.4751637979
O    0.5628340891  -3.2644131791  -0.7388632762
O   -2.6357693963   0.8063544438   2.8242869912
O   -5.5052945198  -0.3029798538  -0.6459890952
N    2.8621645096   0.7149522295  -1.6685863399
N    0.3445773852  -1.8895908063   1.0551759007
N   -1.4777542121  -2.4067363191  -0.2826198553
N   -2.0238181671  -0.7846263629   1.2946326466
N   -3.4849362170  -1.3579059410  -0.4681554515
C    1.4214197042   1.1957378557   0.1882909227
C    2.3405404416   0.2433750919  -0.5485065230
C    2.1979960801   2.1697839958   1.0709314238
C    2.6475212453  -1.0471248390  -0.1039892871
C    2.9722623495   3.2431417538   0.3502673775
C    3.5098539234  -1.8403114015  -0.8470297429
C    4.0518202802  -1.3229766747  -2.0073089953
C    3.6912561866  -0.0403769990  -2.3765026071
C   -0.2079608218   1.3310533250  -1.4940660018
C   -0.1364379984  -2.5605885528  -0.0409182305
C   -1.0087185502   2.2598203917  -2.3798890074
C   -2.3571521328  -1.4634762914   0.2080212222
C    0.6099975480   3.6576452703  -3.3465487424
C   -2.9107066084   0.1006932060   1.7403387510
C   -4.3581003737  -0.4712199377  -0.0112740389
C   -4.1265988871   0.3100162393   1.1142588100
C   -1.3747761838   0.6448671758   3.4668118284
C   -5.7669760010  -1.0665434720  -1.8217948305
H    0.7391498652   0.6454448120   0.8363240206
H    2.8652472330   1.5897985632   1.7096531416
H    2.3439547008   3.8392196194  -0.3100716562
H    3.4350731672   3.9061170797   1.0806946475
H    3.7725875995   2.8058681307  -0.2427592188
H    3.7573127679  -2.8440342963  -0.5339720980
H    4.7292676071  -1.9049985746  -2.6142151669
H   -0.3180510041  -1.2854282289   1.5652680074
H    4.0848183095   0.4009689825  -3.2834554651
H   -2.0111086024   2.3216659341  -1.9443549726
H   -1.1203050782   1.7711444105  -3.3554502870
H    0.9194184306   4.7013904817  -3.3634932835
H    1.4599602614   3.0535410842  -3.0160606026
H    0.3517061271   3.3572723903  -4.3675828075
H   -4.8454801247   1.0296778005   1.4768526242
H   -1.4305423036   1.2361736807   4.3763529728
H   -1.1781293685  -0.3929667719   3.7336787314
H   -0.5623089682   1.0359001433   2.8532668905
H   -5.7904505170  -2.1352256259  -1.6119826970
H   -6.7478626194  -0.7486259900  -2.1636079265
H   -5.0339724365  -0.8674269420  -2.6027759540
H   -1.8021133231  -2.8951371666  -1.1068910962
*