! 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   -1.9382180680   1.2965896434   0.1628311572
F    1.5896885523  -2.1702649144  -0.0040057433
F    0.8147609289  -4.1098983069  -0.5308043944
F    1.0630738083  -2.5987106994  -2.0436397750
O   -1.9674300811   2.0308613553  -1.0850435371
O   -2.9061005430   1.5686186795   1.2031874360
O   -4.6328062496   0.4224143766  -0.7965799988
O   -5.3480138510  -1.0343246524   0.7517247688
O   -0.6609123792   0.1730391259   2.5653925279
O    5.8570013123   0.6924360900   0.7679717075
O    2.7664849355   2.8316149368  -1.9530460576
N   -0.7901903467  -0.9979232472  -0.3736127706
N   -0.4025899130   1.5114925886   0.7413315602
N    1.4348984302   0.6654914827   1.8907787343
N    3.6417539094   0.6682380874   1.3351478972
N    2.0781694193   1.7519999176  -0.0590156961
C   -1.9723716262  -0.4781780982  -0.1708874553
C   -3.1502974906  -1.2129488991  -0.1307523941
C   -0.6922059962  -2.3070402949  -0.5223423293
C   -3.0315444527  -2.5883971218  -0.2590185547
C   -1.7826475862  -3.1546413396  -0.4580213980
C   -4.5003234876  -0.6021618762   0.0153209695
C    0.7065977790  -2.8046194605  -0.7728016893
C    0.0707747104   0.7411108300   1.7830846197
C    2.4224779881   1.0469675586   1.0044977709
C    4.6090392633   1.0405835322   0.5073743749
C    3.0586046704   2.1212451098  -0.8776924828
C    4.3802932008   1.7888589128  -0.6412862274
C   -5.8453554303   1.1818821055  -0.7233363163
C    6.1339656293  -0.0899533634   1.9274747779
C    1.4061685959   3.1812275238  -2.2022988515
H   -3.9099466478  -3.2175734715  -0.2176748460
H   -1.6842885247  -4.2252504264  -0.5579169745
H    1.7564446701   0.1192949352   2.6793238590
H    5.1785608198   2.0895546531  -1.3036324095
H   -5.7456057414   1.9683206394  -1.4643950201
H   -6.7092105722   0.5636236302  -0.9622396615
H   -5.9698024141   1.6243036735   0.2643148059
H    7.2085935054  -0.2485617925   1.9218223216
H    5.6295919471  -1.0548927238   1.8918919974
H    5.8544658169   0.4312515723   2.8422744122
H    1.4170824966   3.7702720644  -3.1147537647
H    0.7867448956   2.2983720537  -2.3618440605
H    0.9920172140   3.7876703125  -1.3968415896
H    0.3132367842   1.8308706727   0.0672241131
*