! 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    1.1670157124   1.8778521318  -1.4095473689
F   -0.4077765941  -2.2857953012   0.3032639523
F    0.2533556952  -2.9010769686   2.2551746262
F    1.2805124189  -3.6045643130   0.4993268513
O    0.9986802422   3.3060958250  -1.5869942185
O    1.1574192062   1.0217539440  -2.5836659413
O    0.2464557728   2.6417065548   1.2973172143
O   -3.1697994227  -1.4939033211  -1.9788045550
N   -0.0876551652   1.2810970634  -0.4869479649
N   -1.5912084244   1.3274498617   1.2855745968
N   -3.5333378157   0.1755560547   1.5885260988
N   -2.3417852137  -0.0567532444  -0.4224831653
N   -4.3283658513  -1.2659494892  -0.0935009058
C    3.0249715428   0.3033638513  -0.0738487508
C    2.2101621394  -0.9537185330  -0.2326159224
C    2.6279576654   1.5901020362  -0.4526998500
C    1.6049066419  -1.3435682368   1.1195794752
C    4.2530069864   0.1918026767   0.5736491093
C    3.4090773771   2.7096150208  -0.1844077804
C    0.6888566148  -2.5319256886   1.0434666072
C    5.0451989422   1.2960981285   0.8391745906
C    4.6202237510   2.5617562196   0.4662102493
C   -0.4294104539   1.8164063110   0.7238222059
C   -2.5164076703   0.4472332965   0.7916767278
C   -4.4225716850  -0.6839837355   1.0936175501
C   -3.2668417621  -0.9192834110  -0.8048795168
C   -5.5850983145  -1.0216163707   1.9519042251
C   -2.0500485341  -1.1875943478  -2.8121953898
H    1.4407720600  -0.8572578593  -0.9938545680
H    2.8749077226  -1.7471019455  -0.5767678866
H    2.4004087378  -1.5817806815   1.8282292584
H    1.0458576046  -0.5121191105   1.5527765502
H    4.5953188035  -0.7907050715   0.8748636769
H    3.0841895300   3.6958838998  -0.4807518920
H    5.9949515488   1.1662634248   1.3398917816
H    5.2268335794   3.4316965883   0.6744355535
H   -0.7481534112   0.6276676197  -0.9298134054
H   -1.7956148366   1.6983784097   2.2052591284
H   -6.3322701752  -1.5899970159   1.4063735326
H   -5.2497898578  -1.6161089090   2.8034598103
H   -6.0393743068  -0.1169591305   2.3535398993
H   -2.1938502627  -1.7660511019  -3.7195704348
H   -1.1136259623  -1.4924893845  -2.3451606924
H   -2.0165747570  -0.1286864678  -3.0655077209
*