! 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   -2.5832715776   0.1306133218  -1.5491975572
F    0.2823044596   4.3630973768   0.9165387025
F    0.2433676491   3.4844009958  -1.0569587087
F    5.7686881297  -1.9794832651  -0.7670990733
F    6.3589553800  -2.0188670848   1.3109775649
O   -3.1047884441  -0.1366890421  -2.8716719825
O   -2.8072722868   1.4264684200  -0.9336648541
O   -2.9759461075   0.7456201511   2.4828453767
O   -1.1076319435   0.2847497303   1.3444747288
O   -0.8747663799  -2.1674130645  -2.2966090149
O    1.7668633316   2.8659372394   0.4532488802
O    4.9716841806  -0.4897475579   0.6828226508
N   -0.9237519663  -0.0145304200  -1.5814672677
N    1.0229512894  -1.2794646367  -1.4594786264
N    1.3738509015   0.8277732227  -0.5268917865
N    2.9943181988  -0.8766659864  -0.4052882398
C   -3.1685461189  -1.1356058448  -0.4520634818
C   -3.0686965909  -0.9919084997   0.9346757298
C   -3.8391199828  -2.2108970057  -1.0119696551
C   -3.6560418332  -1.9511656443   1.7468489781
C   -4.4028472168  -3.1711084936  -0.1846410589
C   -4.3119088366  -3.0404434164   1.1898437968
C   -2.2728723898   0.0876640203   1.5870581712
C   -0.3056119022  -1.2124238336  -1.8135497404
C    1.8144647077  -0.3972514771  -0.7646236658
C    2.1726252605   1.6183201348   0.1687897490
C    3.7691176283  -0.0586936952   0.2754833028
C    3.4195693933   1.2374344818   0.6164918232
C   -2.2953113574   1.7564261746   3.2373355955
C    0.4483325659   3.2203805441   0.2450565016
C    5.3228796624  -1.8131080343   0.4898683006
H   -3.9361360116  -2.3072229274  -2.0828830244
H   -0.3829679203   0.7087996929  -1.0989999744
H   -3.5884396107  -1.8626889424   2.8224961281
H   -4.9185788994  -4.0139953491  -0.6223180776
H   -4.7548530216  -3.7836179507   1.8378903149
H    1.4482265832  -2.1797711927  -1.6419513193
H    4.0620258239   1.8892217070   1.1889836604
H   -3.0301454641   2.1518359110   3.9314956475
H   -1.9439402115   2.5597880262   2.5898812256
H   -1.4567550150   1.3380913915   3.7920239957
H   -0.2642682661   2.4736019346   0.5934867426
H    4.5252213335  -2.5223322865   0.7015980698
*