! 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   -1.8062390480   1.3795273106   0.9861159784
F   -1.0919674791   0.6968333851  -1.9062480348
F   -0.5465818172  -1.2963305569  -1.2928240551
F   -1.8507128557  -0.9981881298  -2.9680158190
O   -2.1702948870   1.5967941321   2.3664362753
O   -1.7268284697   2.5149237131   0.0898903323
O   -0.9210319681  -1.1435185390   2.1569677306
O    5.5636452193  -1.4858395825   0.1534959965
O    3.1852669504   2.2961191608  -1.1049438209
N   -0.3234098613   0.6470226937   0.9001470585
N   -4.0137217156   0.0523728049   1.0741964422
N    1.2077876870  -1.0204060783   1.4138063274
N    3.3762869898  -1.2629804820   0.7789114274
N    2.1723292429   0.6598609944   0.1296308114
C   -2.9434232455   0.1357210266   0.3214488881
C   -2.7518372380  -0.6100118286  -0.8425478837
C   -3.7491628409  -1.5265315159  -1.1571731856
C   -1.5546284520  -0.5428088182  -1.7516444015
C   -4.8677218052  -1.6354953814  -0.3527940205
C   -0.0690535204  -0.5406632140   1.5357004316
C   -4.9675393749  -0.8086357786   0.7490767173
C    2.2953791877  -0.5082369046   0.7358946134
C    4.4440215254  -0.7835241315   0.1555203878
C    3.2523517057   1.1286268062  -0.4891914369
C    4.4510364145   0.4381032894  -0.5072431826
C    5.5889190842  -2.7536675654   0.8061363714
C    1.9492338630   3.0074657944  -1.1065360247
H    0.4541800620   1.0982497611   0.3927678667
H   -3.6625798873  -2.1606225578  -2.0276847754
H   -5.6484053994  -2.3448032727  -0.5834583928
H   -5.8326597856  -0.8406823888   1.3973158035
H    1.3637141946  -1.9106187976   1.8684310363
H    5.3290416480   0.8198078613  -1.0069278188
H    6.5974898161  -3.1327633995   0.6681593368
H    5.3832356452  -2.6632604424   1.8720253483
H    4.8805842221  -3.4502909461   0.3591962736
H    1.1680154495   2.4508589436  -1.6247089595
H    2.1403996999   3.9282956450  -1.6496897134
H    1.6243728674   3.2562044772  -0.0961170350
*