! 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    1.9666970091  -1.7486146391   1.3844234559
F    1.2578446885   2.7693191351   1.9239588399
O    0.6529105873   1.9793834755  -0.7131933233
O    2.0175979086  -0.7923275863   2.4763722392
O    2.5492114467  -3.0590467067   1.5698362528
O   -0.4672091064   3.5485568712  -2.5235535591
O   -0.3885706471   0.1499510850  -1.4532753643
O    0.5769424554  -3.2438986079  -0.7530945847
O   -2.6290891532   0.7702068341   2.8550736117
O   -5.4828500579  -0.2668775950  -0.6517251609
N    2.8517009578   0.7079990696  -1.6712270497
N    0.3461699376  -1.8906077245   1.0556011033
N   -1.4707230145  -2.4036437993  -0.2896215061
N   -2.0207861574  -0.8023536383   1.3062530250
N   -3.4736141079  -1.3421156795  -0.4729545622
C    1.4197756906   1.2016952994   0.1914825624
C    2.3373469798   0.2468699244  -0.5439931243
C    2.1976564786   2.1734648747   1.0761116668
C    2.6527020433  -1.0380848828  -0.0872152132
C    2.9563863484   3.2573120253   0.3541160389
C    3.5237374076  -1.8308871053  -0.8199897728
C    4.0595383103  -1.3233613078  -1.9875256711
C    3.6818384780  -0.0514108749  -2.3746947891
C   -0.2158896785   1.3428230213  -1.4824498931
C   -0.1278962454  -2.5529354142  -0.0479054002
C   -1.0165760075   2.2749859546  -2.3649128227
C   -2.3499262326  -1.4632941782   0.2073704457
C    0.6340482038   3.5753622588  -3.4104133283
C   -2.9037031527   0.0828399271   1.7592104422
C   -4.3421718916  -0.4537692492  -0.0103500962
C   -4.1132182915   0.3103853887   1.1275687170
C   -1.3729665960   0.5863420426   3.5019031706
C   -5.7351324268  -1.0024508074  -1.8469527301
H    0.7353155626   0.6514073979   0.8371765959
H    2.8752286227   1.5929575104   1.7034577868
H    3.7414573762   2.8287796280  -0.2653063879
H    2.3120396991   3.8625664566  -0.2821464794
H    3.4368835039   3.9102262103   1.0821002327
H    3.7833018833  -2.8268385620  -0.4927214520
H    4.7415612752  -1.9068824212  -2.5877811747
H   -0.3225617672  -1.2931139957   1.5671974020
H    4.0633831117   0.3789163629  -3.2920322657
H   -1.9974474186   2.3900075094  -1.8924519583
H   -1.1844208791   1.7631447049  -3.3200796454
H    0.3534263761   3.2250260573  -4.4094163766
H    0.9660143274   4.6092141072  -3.4901157479
H    1.4753084682   2.9712035824  -3.0584212802
H   -4.8291691494   1.0311559025   1.4937863746
H   -0.5524739159   0.9732886874   2.8961682019
H   -1.4256561018   1.1684887758   4.4174242221
H   -1.1908209156  -0.4566639530   3.7586199933
H   -6.7039324636  -0.6613462930  -2.2006293604
H   -4.9844390218  -0.8007097430  -2.6103241362
H   -5.7800049595  -2.0744873141  -1.6588605021
H   -1.7913439973  -2.8792891528  -1.1227397360
*