! 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    1.0135779058   1.6737353758  -1.6447140941
F    2.0084034266  -4.1946415071   1.5662523244
F    1.6065700680  -3.7177636542  -0.4932253620
F    0.3109934462  -2.9759744265   1.0520912601
O    0.9281616470   3.0043644348  -2.2090357151
O    0.9999679114   0.5304937190  -2.5389074870
O   -0.0534479845   3.2700875706   0.6151260223
O   -3.2647549908  -1.8435585009  -1.1784846385
N   -0.3097952472   1.4095144395  -0.6601626078
N   -1.9087642055   2.0194571883   0.9139301081
N   -3.9627207312   1.1304518852   1.3334675110
N   -2.5169741812   0.0609186152  -0.1808791575
N   -4.6497486951  -0.8349518373   0.2378582333
C    2.7863859508   0.4122800437   0.0894109596
C    1.9959161142  -0.8662669279  -0.0405207432
C    2.4127361656   1.6014652692  -0.5593438178
C    2.4581455649  -1.9874719238   0.8816874970
C    3.9370409748   0.4731229637   0.8687712376
C    3.1401690992   2.7773877865  -0.4299329008
C    1.5994827800  -3.2140039304   0.7501875808
C    4.6788034239   1.6393925477   0.9967125292
C    4.2830246855   2.7966026899   0.3509347848
C   -0.7044595433   2.2982236869   0.3003888198
C   -2.8244835352   1.0309577738   0.6717803455
C   -4.8498146702   0.1705775474   1.0773784666
C   -3.4667329192  -0.8412219640  -0.3572345871
C   -6.1566511957   0.2537816764   1.7769537644
C   -2.0109873540  -1.9530875735  -1.8523783638
H    0.9463699322  -0.6522290733   0.1703799043
H    2.0473497760  -1.2040973147  -1.0758972035
H    3.4840556369  -2.2833390673   0.6565212031
H    2.4283085430  -1.6726648824   1.9265972848
H    4.2808025345  -0.4057193962   1.3947833998
H    2.8262328032   3.6792174093  -0.9341205777
H    5.5707897906   1.6352982901   1.6083953451
H    4.8526489846   3.7097388561   0.4501941956
H   -0.9182324381   0.6055256464  -0.8578064512
H   -2.1922680195   2.7059328640   1.6017635163
H   -6.6891175635   1.1508259186   1.4569769504
H   -6.7771361430  -0.6126906107   1.5682590961
H   -6.0077700412   0.3387566739   2.8531240929
H   -2.0911765135  -2.8362788756  -2.4785645427
H   -1.1932477547  -2.0949691640  -1.1456260902
H   -1.8163860239  -1.0873131123  -2.4844889369
*