! 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    1.0796664495   1.1955687826   1.5147778072
F    2.8348483517  -4.3098413435   0.1739951631
F    2.1227957030  -3.6125166170  -1.7333610215
F    0.8831063530  -3.4188141282   0.0114115105
O    1.1271658484  -0.1477300357   2.0649942398
O    1.0478395794   2.3223524500   2.4259211335
O   -0.0973582557   3.2920487536  -0.2244678645
O   -3.4303716807  -1.9039162160   0.9361342977
N   -0.3127938788   1.1858330116   0.5951960790
N   -2.0351299142   2.1940704761  -0.5985384183
N   -4.1386786108   1.4418705983  -1.0527756699
N   -2.6642737822   0.1043849457   0.1950858502
N   -4.8417970674  -0.6564121454  -0.2493465738
C    2.7122502645   0.4767310869  -0.6100502750
C    1.9999532212  -0.8332772458  -0.8230210272
C    2.3918186055   1.4390738488   0.3533049043
C    2.7565783950  -1.9767333061  -0.1448337587
C    3.8010798442   0.7536077172  -1.4334351695
C    3.1127201156   2.6223781891   0.4795947811
C    2.1513290966  -3.3231334023  -0.4227509535
C    4.5378047493   1.9194888775  -1.3084351176
C    4.1926481468   2.8602934650  -0.3503871225
C   -0.7621684739   2.2909654331  -0.0725630324
C   -2.9735837897   1.2055030633  -0.4769406154
C   -5.0435160932   0.4754051369  -0.9098051557
C   -3.6361659184  -0.7867975886   0.2814436589
C   -6.3804760768   0.7049000540  -1.5125755308
C   -2.1556522003  -2.1270873956   1.5406377665
H    0.9677643738  -0.8026867013  -0.4822138554
H    1.9555357465  -1.0063415870  -1.8990885006
H    3.7919262726  -2.0005655092  -0.4909852446
H    2.7846121096  -1.8294099774   0.9350700004
H    4.0717080601   0.0330041739  -2.1954523634
H    2.8408982422   3.3586523617   1.2212259020
H    5.3787990942   2.0946632303  -1.9655283641
H    4.7551218315   3.7776796531  -0.2490144520
H   -0.9687021142   0.4020357026   0.7192651371
H   -2.3337921653   3.0116554682  -1.1152676391
H   -6.9314692095   1.4236289933  -0.9022676285
H   -6.2892834439   1.1340878728  -2.5087766379
H   -6.9589734378  -0.2130611729  -1.5625526694
H   -1.3650384378  -2.1672879046   0.7922747202
H   -2.2277729872  -3.0936825556   2.0298288510
H   -1.9278877011  -1.3667304501   2.2869972288
*