! 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   -2.3730867834  -0.2686751631  -1.7034534062
F    0.3730361546   4.3249058563   0.7291491327
F    0.0376411883   3.0680805495  -0.9934575833
F    7.0831110401  -1.4834923846   0.5404477228
F    5.3250768611  -2.3490031256   1.4505636428
O   -2.6034319286  -0.8632524538  -3.0015033871
O   -2.6693977680   1.1358094116  -1.4936255197
O   -3.7776262256   1.4934940282   1.5808790524
O   -1.6803065378   0.7485168609   1.3554159755
O   -0.6501657826  -2.6468933462  -1.6202625958
O    1.8679402057   2.8370504124   0.2692599457
O    5.2945006249  -0.2807980330   0.6231196072
N   -0.7554147029  -0.4027190629  -1.3199183330
N    1.1921960015  -1.5963532065  -0.8631298695
N    1.4895207996   0.6430756414  -0.2917940479
N    3.2315684977  -0.9353276585  -0.1233848025
C   -3.2353481618  -1.2185681898  -0.4811565542
C   -3.4877838205  -0.6755973229   0.7794491659
C   -3.7436898654  -2.4547301208  -0.8461643565
C   -4.2664260807  -1.3975868695   1.6718201091
C   -4.4995509352  -3.1744155159   0.0671455281
C   -4.7615986247  -2.6457648258   1.3196784387
C   -2.8721849929   0.6009957305   1.2483578383
C   -0.1157876041  -1.6094472664  -1.2905181439
C    1.9900127229  -0.5764664186  -0.4095987804
C    2.3173326571   1.5786965006   0.1432293225
C    4.0261167656   0.0205808586   0.3076698268
C    3.6357395972   1.3396477402   0.4685928225
C   -3.3080771524   2.7465238552   2.0923072913
C    0.5078222300   3.0780815041   0.2685197732
C    5.7525083247  -1.5719845913   0.4392213623
H   -3.5659735772  -2.8585133659  -1.8317838133
H   -0.2823151700   0.4193063972  -0.9372110624
H   -4.4758305619  -0.9955365005   2.6537694464
H   -4.8896467268  -4.1434542855  -0.2100855978
H   -5.3578939074  -3.2015216368   2.0298478723
H    1.6395570322  -2.5035864308  -0.8940222719
H    4.3008438908   2.1104669763   0.8273965352
H   -4.1971811146   3.3324189722   2.3010343281
H   -2.7004425791   3.2682895845   1.3531457659
H   -2.7369732945   2.6107927801   3.0092964850
H   -0.0599048318   2.3819693347   0.8836649273
H    5.4726801125  -2.0138708039  -0.5148134631
*