! 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    1.9591249918  -1.7416136445   1.3730628614
F    1.2601215838   2.7920964384   1.9013472637
O    0.6670431713   1.9941328320  -0.7255037485
O    2.0169652889  -0.7815904899   2.4614472221
O    2.5380625897  -3.0538877302   1.5586798442
O   -0.4584992061   3.5923173327  -2.4953380662
O   -0.3821792369   0.1726194499  -1.4767428347
O    0.5686866047  -3.2439670668  -0.7508452602
O   -2.6564991402   0.7817029219   2.8351436449
O   -5.5363950606  -0.3484577788  -0.6204384318
N    2.8620461839   0.7188284665  -1.6752422483
N    0.3376951293  -1.8774676633   1.0478583200
N   -1.4770597977  -2.3966564670  -0.2984673079
N   -2.0346244749  -0.7913749261   1.2915771121
N   -3.4992074068  -1.3738040068  -0.4650766762
C    1.4256774358   1.2120439196   0.1821875139
C    2.3407220755   0.2534611236  -0.5524843899
C    2.2047150207   2.1790697900   1.0704200131
C    2.6426283051  -1.0374279255  -0.1049911293
C    2.9889662229   3.2485925865   0.3546377470
C    3.4967770909  -1.8378756598  -0.8503718302
C    4.0346206526  -1.3282076358  -2.0157349115
C    3.6815249825  -0.0440916881  -2.3858962204
C   -0.1984769289   1.3638868566  -1.5041029975
C   -0.1362601964  -2.5466863523  -0.0521188710
C   -0.9768420944   2.2996275702  -2.4027287352
C   -2.3656407391  -1.4681749439   0.2030816219
C    0.6636276938   3.6855153992  -3.3508662470
C   -2.9302751008   0.0786869212   1.7491116284
C   -4.3816241724  -0.5027514541   0.0039367345
C   -4.1535378569   0.2742644885   1.1332182368
C   -1.3901134937   0.6296283729   3.4693919854
C   -5.7987832177  -1.1156479323  -1.7936850044
H    0.7354574491   0.6655251223   0.8251437742
H    2.8655882614   1.5937240318   1.7106285216
H    3.7861176214   2.8066890223  -0.2393169395
H    2.3667964245   3.8528794444  -0.3040572182
H    3.4568451701   3.9045235632   1.0881209704
H    3.7391080473  -2.8423149752  -0.5361343169
H    4.7036895854  -1.9172665699  -2.6248667366
H   -0.3294374563  -1.2765888928   1.5563833959
H    4.0733810438   0.3922709554  -3.2959528074
H   -1.9854960116   2.3699611862  -1.9837435837
H   -1.0767470055   1.8115678985  -3.3799418592
H    0.4107047583   3.3964482760  -4.3764796185
H    0.9863429413   4.7253477358  -3.3568485418
H    1.5027121355   3.0680974596  -3.0175821888
H   -4.8808191795   0.9799418510   1.5063573958
H   -1.1846934536  -0.4069133478   3.7343412296
H   -0.5841724223   1.0267222546   2.8509525029
H   -1.4446984757   1.2198148556   4.3796999321
H   -5.0759348929  -0.9067612393  -2.5815003828
H   -5.8056037234  -2.1844324183  -1.5832947903
H   -6.7870996551  -0.8113301695  -2.1262229882
H   -1.7974970399  -2.8831483801  -1.1253460488
*