! 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    1.9505389158  -1.7012790130   1.3277899074
F    3.6814434125   1.5479293877   1.5895102152
O    1.0781332334   2.1528523490  -0.7259843099
O    2.0153844003  -0.7659619554   2.4353832140
O    2.4307195157  -3.0532560974   1.5182223005
O   -1.6284666664   2.0200256540  -3.0354291157
O   -0.1569957765   0.4074704345  -1.3757063199
O    0.5652500323  -3.0849593073  -0.8801846902
O   -2.6124193975   0.9795477918   2.6919030685
O   -5.5469059320  -0.1792109951  -0.7103190615
N    3.2186732775   0.7277803717  -1.6204829027
N    0.3410580964  -1.7277713750   0.9260505387
N   -1.4656476393  -2.1940533136  -0.4531668120
N   -2.0164940908  -0.6030690843   1.1511893602
N   -3.5065932782  -1.2022675708  -0.5782742804
C    1.7940792350   1.3372791976   0.1921102960
C    2.6074672816   0.2880420864  -0.5323870892
C    2.7093041716   2.3086182289   0.9469619786
C    2.7561660504  -1.0347686656  -0.1075309061
C    1.9736673839   3.1430064776   1.9623833033
C    3.5545520032  -1.9004675814  -0.8418545872
C    4.1866067716  -1.4214291644  -1.9728811900
C    3.9806159808  -0.0999104678  -2.3226455302
C    0.1267715935   1.5722643484  -1.4550106197
C   -0.1315494390  -2.3748250297  -0.1856009850
C   -0.5061118411   2.5620520533  -2.4066976272
C   -2.3584129739  -1.2833475938   0.0688908555
C   -2.7929644851   2.0876332381  -2.2375013663
C   -2.9092477473   0.2628565446   1.6203230658
C   -4.3851399240  -0.3335938354  -0.0983094054
C   -4.1448600323   0.4479727528   1.0259456513
C   -1.3204354148   0.8484185688   3.2756182063
C   -5.8220384743  -0.9420316640  -1.8834272324
H    1.0871215374   0.8883162528   0.8891314672
H    3.2216660493   2.9417788228   0.2191197129
H    1.1870084662   3.7254737681   1.4841542474
H    1.5177283773   2.5200062873   2.7337145035
H    2.6528870880   3.8444748878   2.4456076296
H    3.6873639712  -2.9299296863  -0.5438321311
H    4.8182365835  -2.0611260136  -2.5711382428
H   -0.3108215838  -1.0955880586   1.4148412613
H    4.4527555154   0.3143054909  -3.2045457788
H    0.2372319257   2.8032381434  -3.1730468257
H   -0.7265321238   3.4957720922  -1.8746058566
H   -3.1321470034   3.1205399017  -2.1084815610
H   -3.5762913053   1.5278371500  -2.7474820520
H   -2.6475379311   1.6560613113  -1.2424701206
H   -4.8677491404   1.1553413267   1.4044961257
H   -1.1272488182  -0.1678903241   3.6184015101
H   -0.5391809731   1.1622239317   2.5817638925
H   -1.3117599888   1.5175353959   4.1310996653
H   -5.8522033588  -2.0100918679  -1.6709547336
H   -6.8026531055  -0.6169135532  -2.2189822395
H   -5.0937225430  -0.7527191876  -2.6715364500
H   -1.7867163775  -2.6757503484  -1.2824594692
*