! 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    1.3391577745   1.4550071958   1.7789423788
F    1.3243083090  -2.4890905558  -1.9184107481
F    0.5202902538  -0.5209473945  -1.5947158346
F   -0.7404219188  -2.2442370823  -1.3467324512
O    1.2778447704   0.3931499019   2.7666504924
O    1.5220436008   2.8186576748   2.2295084350
O    0.2278051452   2.9467394547  -0.5584088014
O   -3.0945887131  -1.9170598881   1.7084859228
N   -0.1351383533   1.3299173891   0.9940909096
N   -1.6163066275   1.6662547077  -0.7686364004
N   -3.2577203444   0.3030464281  -1.5609510422
N   -2.3114900585  -0.1177759874   0.5507863204
N   -3.9822464586  -1.5405691113  -0.2927491101
C    2.8564011738  -0.1946856734   0.0961922208
C    2.3204136663  -1.4929074121   0.6514421005
C    2.5410228638   1.1060910269   0.5205886845
C    0.8763955119  -1.8710947335   0.3219166257
C    3.8035454659  -0.2983983127  -0.9207435256
C    3.1611462124   2.2257089239  -0.0276908004
C    0.5040854664  -1.7834315384  -1.1301143495
C    4.4158422022   0.8093020304  -1.4841122187
C    4.1002030989   2.0789878655  -1.0322444986
C   -0.4531004882   2.0432202322  -0.1268768806
C   -2.4143976036   0.5709871351  -0.5793421631
C   -4.0190849666  -0.7714236674  -1.3726546045
C   -3.1152786154  -1.1664103488   0.6333701573
C   -4.9478202435  -1.1535796407  -2.4654304101
C   -2.2582020141  -1.5539737978   2.8069913707
H    2.9714643865  -2.2879318317   0.2900943141
H    2.4139378426  -1.5106301076   1.7351286211
H    0.7157527410  -2.9004230903   0.6468893678
H    0.1704488642  -1.2641593719   0.8815394145
H    4.0791184119  -1.2846995050  -1.2709034651
H    2.9191185262   3.2172232903   0.3230742599
H    5.1462866600   0.6747641551  -2.2704052559
H    4.5781621844   2.9530220895  -1.4517768610
H   -0.8083033660   0.6335500780   1.3314393995
H   -1.7937324258   2.1770150697  -1.6245972166
H   -4.4211862114  -1.8005184178  -3.1713064821
H   -5.8013258726  -1.7081467772  -2.0843261430
H   -5.2908588434  -0.2810297810  -3.0160841280
H   -1.2017424386  -1.6459616468   2.5542312074
H   -2.4862101929  -2.2631444483   3.5965296960
H   -2.4708565490  -0.5450362453   3.1576931268
*