! 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    0.5861707185  -0.4292600700   1.1598498841
F    5.8624851591  -2.6691384246   1.0424202745
F    5.2643898755  -0.6538192877   0.5965538123
F    5.7316506422  -2.0128892344  -1.0030868482
O    0.7878774619  -1.8630950804   1.1578796331
O    0.5399313874   0.2657901414   2.4339216515
O   -0.4790644073  -1.0794070676  -1.5117717794
O   -6.8195776757   1.2944255525  -1.0926277473
N   -0.8970919042  -0.0757963032   0.4787990953
N   -2.5210022182  -0.1807700213  -1.1820030557
N   -3.3383662372   0.8949844890   0.7123663273
N   -4.6736975438   0.5449346305  -1.1916401509
N   -5.5639188991   1.6292472395   0.7061540176
C    2.6424358166  -0.2310500379  -0.7591757711
C    2.8354131784  -1.7176693184  -0.9123806843
C    1.7363854511   0.4064451633   0.0955204822
C    3.6992034817  -2.3825117298   0.1624624099
C    3.4486047461   0.6024563279  -1.5371631186
C    1.6531437520   1.7969038266   0.1745735491
C    5.1309089291  -1.9277122858   0.1954019166
C    3.3707301014   1.9810941039  -1.4734099588
C    2.4693923339   2.5862970563  -0.6100546438
C   -1.2391281087  -0.4881184742  -0.7740918102
C   -3.5381511867   0.4439123199  -0.5150523151
C   -4.3899069795   1.4833517335   1.2876771631
C   -5.6443697636   1.1412856177  -0.5299530098
C   -4.2154721242   1.9711336973   2.6785265657
C   -7.0215531431   0.8118593723  -2.4210899053
H    1.8802086349  -2.2334741971  -0.9290499190
H    3.2805548464  -1.8967471704  -1.8914011396
H    3.2786150751  -2.2330612710   1.1564640479
H    3.7003021981  -3.4587144006  -0.0195612256
H    4.1561012787   0.1463700911  -2.2177165766
H    0.9450293327   2.2741564230   0.8386000163
H    4.0161653667   2.5837721585  -2.0978199874
H    2.3972192028   3.6629302299  -0.5483187415
H   -1.6028311415   0.4240705993   1.0396025418
H   -2.7431433133  -0.4934576441  -2.1184828730
H   -4.9953335654   2.6758493910   2.9524943648
H   -4.2664596278   1.1233626501   3.3652224983
H   -3.2397130203   2.4348155553   2.8107534487
H   -6.8638724909  -0.2637138628  -2.4838068387
H   -6.3690525797   1.3172818433  -3.1315283531
H   -8.0563869543   1.0381884371  -2.6596146813
*