! 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   -2.4984882318  -0.3902095581   1.5190835400
F    0.0724266408   2.9754963698   1.6088488269
F    0.3689341991   4.4002741991   0.0133088565
F    6.7439790209  -1.5208208808  -1.3740993688
F    5.9037116939  -2.0863120497   0.5340463640
O   -2.7653988921   1.0290955328   1.3764496298
O   -2.8900426114  -1.0756239091   2.7313959503
O   -3.3093455946   1.4929248709  -2.0333094446
O   -1.3456008951   0.7300204669  -1.2867887766
O   -0.7850859460  -2.7780351973   1.3590868872
O    1.8570308630   2.8560116557   0.2716881685
O    5.2201311946  -0.2504435157  -0.5244624642
N   -0.8454831367  -0.5117466916   1.3442633777
N    1.1035699960  -1.6732202227   0.8198557925
N    1.4476629580   0.6159772448   0.5574046883
N    3.1545373259  -0.9589739371   0.1617057484
C   -3.2112803126  -1.2466658939   0.1394288893
C   -3.2677424318  -0.6527874263  -1.1241250451
C   -3.8266156925  -2.4633089260   0.3846359144
C   -3.9554954435  -1.3061185590  -2.1363977394
C   -4.4916404852  -3.1126863468  -0.6449051788
C   -4.5577011228  -2.5342903881  -1.9000005701
C   -2.5310306570   0.5981175529  -1.4652685012
C   -0.2218748892  -1.7181390347   1.1878521834
C    1.9213701671  -0.6183953086   0.5004600795
C    2.2869531260   1.5848849387   0.2327124130
C    3.9618488496   0.0304780338  -0.1561881163
C    3.5950659736   1.3661818713  -0.1426486848
C   -2.6919940794   2.7040013392  -2.4875178904
C    0.5012165319   3.1112139098   0.3413282276
C    5.6071464556  -1.5698997644  -0.6703210436
H   -3.8043140970  -2.9078906200   1.3682956483
H   -0.3355375079   0.3332557709   1.0755260026
H   -4.0094332217  -0.8671291581  -3.1230094462
H   -4.9626526225  -4.0666973146  -0.4554328033
H   -5.0799516391  -3.0349610965  -2.7031364345
H    1.5359101273  -2.5852189992   0.7457295609
H    4.2685686857   2.1638872287  -0.4167590683
H   -2.2781987036   3.2699069188  -1.6533393010
H   -3.4829677466   3.2822966868  -2.9533952044
H   -1.9102496494   2.4999826621  -3.2172158728
H   -0.0937708536   2.4879420964  -0.3246581581
H    4.8755120373  -2.1960448451  -1.1764821265
*