! 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   -1.8389442854   1.6186979660  -0.2351585453
F   -1.7545297989  -2.3344188266   2.1495805971
F   -0.5173656186  -1.7855213379   0.4874447046
F   -1.0345398317  -0.3269883920   1.9883129618
O   -1.7598311232   2.2095162498   1.0853785445
O   -2.2348913482   2.4423785577  -1.3526368202
O   -0.9367129060  -0.0788180258  -2.4334440716
O    3.1454189046   1.5465876244   2.0386765005
O    5.6447743144  -0.9491758760  -0.9721095104
N   -0.3414464446   0.9705413740  -0.5140598252
N   -4.0411069990   0.4508004132  -0.8826769348
N    1.2188048549  -0.2020675913  -1.7684905522
N    2.1617691547   0.6899690125   0.1604017058
N    3.4238219631  -0.5852461732  -1.3715416944
C   -2.9509215694   0.1890075020  -0.2026536113
C   -2.7343720578  -1.0034103494   0.4896147419
C   -3.7343094324  -1.9641709280   0.3889198623
C   -1.5049932196  -1.3540031686   1.2827788094
C   -4.8780311256  -1.6990235235  -0.3403066455
C   -0.0784884528   0.2151040888  -1.6263144157
C   -4.9955363794  -0.4665950953  -0.9525929568
C    2.3115205867  -0.0186697776  -0.9453350290
C    3.2418302765   0.8498339572   0.9197273255
C    4.4933351191  -0.4131403991  -0.6064965998
C    4.4699635070   0.3120314459   0.5789811494
C    1.8798610064   2.0878234101   2.4103413675
C    5.7033844494  -1.7131466778  -2.1748126546
H    0.4392637140   1.1506939399   0.1385053218
H   -3.6314082617  -2.9217854273   0.8781943105
H   -5.6630182315  -2.4354820085  -0.4263950634
H   -5.8780333490  -0.2049467794  -1.5205971648
H    1.3892975523  -0.7680370525  -2.5893770424
H    5.3482645948   0.4432064303   1.1935912932
H    1.5127551569   2.8006872546   1.6717643091
H    1.1411072424   1.3034765752   2.5745050571
H    2.0469779996   2.6105185790   3.3475460070
H    6.7358964752  -2.0385435185  -2.2642007095
H    5.4401407196  -1.1149621055  -3.0463214152
H    5.0554676215  -2.5877851284  -2.1274998701
*