! 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   -1.8485837579   1.5583593725  -0.2775986497
F    1.6024410681  -1.9742925314   0.1194511454
F    0.7791698368  -3.9470287195  -0.1478865008
F    1.0514342157  -2.6527640046  -1.8437795566
O   -1.7433392697   2.0240952757  -1.6446916705
O   -2.8800653744   2.0691306132   0.5970613723
O   -5.1838857338  -0.6251122257   0.9013057570
O   -4.7831019384   0.5021697650  -0.9952515605
O   -0.8737699219   0.8921516140   2.3970546418
O    5.8027907065   0.7054029993   1.2685992755
O    3.1398780482   2.2185420085  -2.2203855668
N   -0.7602768883  -0.8082617491  -0.4092279654
N   -0.3552434211   1.8278141065   0.3873287412
N    1.3042767815   1.1404472974   1.8678387539
N    3.5464075676   0.9121559543   1.5711658675
N    2.2041507170   1.7030514713  -0.1999078714
C   -1.9320730606  -0.2416170491  -0.2807332948
C   -3.1225369954  -0.9347744678  -0.1189710572
C   -0.6872615964  -2.1256809056  -0.3691449711
C   -3.0307827613  -2.3183888730  -0.0571486161
C   -1.7953500475  -2.9323938832  -0.1854047639
C   -4.4501221647  -0.2570025723  -0.1220427399
C    0.6992693251  -2.6821992049  -0.5562860515
C   -0.0342014699   1.2585515995   1.6026970578
C    2.3948602983   1.2579359992   1.0292801887
C    4.6130596160   1.0263434807   0.7909403114
C    3.2798447479   1.7969528858  -0.9756862447
C    4.5462436255   1.4689974433  -0.5248283401
C   -6.5068119235  -0.0785983427   0.9979470485
C    5.9091159576   0.2521450843   2.6167653753
C    1.8319026904   2.5167083870  -2.7052533535
H   -3.9174867415  -2.9220476838   0.0759167500
H   -1.7208130367  -4.0088960226  -0.1405404641
H    1.5112585313   0.7682105582   2.7855810706
H    5.4212002399   1.5518198047  -1.1523811397
H   -6.9302655782  -0.4948532007   1.9060418353
H   -6.4750032878   1.0072451062   1.0751827373
H   -7.1148455264  -0.3709491727   0.1432703973
H    5.3471060511  -0.6669390797   2.7782026386
H    5.5742219549   1.0099191836   3.3241148150
H    6.9657351310   0.0572610772   2.7767510036
H    1.1833049935   1.6404045572  -2.6774191093
H    1.3740609977   3.3374057024  -2.1527427059
H    1.9644709606   2.8200084657  -3.7398709417
H    0.4357684862   1.9432993998  -0.2673815335
*