! 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    1.2330270745   1.5455820197   1.6487363393
F    2.0718141904  -3.7174905239   0.5248446628
F    2.6959499454  -4.3112723903  -1.4462325949
F    0.8321267020  -3.2705220959  -1.1728915443
O    1.3905403162   0.4261814319   2.5597224932
O    1.0822952166   2.8725743075   2.2101743110
O   -0.0082953354   2.9356681073  -0.6293215053
O   -5.9487276707  -0.2839007574  -1.1117458155
N   -0.1355356473   1.1563777147   0.7733260287
N   -1.8401336498   1.6240276686  -0.7394573189
N   -2.4037766070  -0.1868575535   0.6093356040
N   -3.9003266831   0.6969502627  -0.9756279294
N   -4.5400410853  -1.1236540415   0.3827500149
C    2.9046922305   0.4386547278  -0.2860943603
C    2.1815861815  -0.8802884105  -0.1640361510
C    2.5381652492   1.5776162700   0.4500973055
C    2.8286922118  -2.0179466597  -0.9436600054
C    3.9694734219   0.5955503787  -1.1684153126
C    3.1968247700   2.7926912500   0.3132171109
C    2.1074723849  -3.3225473924  -0.7575311067
C    4.6388129099   1.8028478000  -1.3098832329
C    4.2573614526   2.9062937891  -0.5683807762
C   -0.6135186161   1.9718559674  -0.2131783453
C   -2.7361877735   0.6690170161  -0.3421072417
C   -3.3483716680  -1.0712493274   0.9428463749
C   -4.7570934054  -0.2175324047  -0.5689450705
C   -3.0079490286  -2.0555693008   2.0000757473
C   -6.3030811550   0.6543097607  -2.1288976025
H    2.1205911136  -1.1563012280   0.8878806797
H    1.1541288528  -0.7436271301  -0.5110083645
H    2.8426776734  -1.8048427224  -2.0138732965
H    3.8629065723  -2.1640498764  -0.6256219660
H    4.2986523963  -0.2391910671  -1.7697694617
H    2.8904073702   3.6542422857   0.8875504439
H    5.4615138043   1.8734189421  -2.0084154178
H    4.7713692268   3.8512092104  -0.6736562531
H   -0.7300428495   0.3767527345   1.0920294668
H   -2.1627131698   2.2402464402  -1.4749033265
H   -2.2871005408  -2.7763460490   1.6094038768
H   -2.5386738799  -1.5620665730   2.8499672346
H   -3.8872725156  -2.5971053619   2.3362379442
H   -5.6611189956   0.5561196202  -3.0029879685
H   -6.2609785671   1.6775345667  -1.7586524598
H   -7.3254094658   0.4135283915  -2.4043749735
*