! 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   -2.4645857150  -0.0285564294  -1.6277101747
F    0.3213362791   4.3150225072   0.8949094019
F    0.1409737272   3.2908228288  -0.9985462629
F    6.9740255218  -1.5654632772   0.4323602469
F    5.1547344573  -2.4698148128   1.1681119941
O   -2.8387490140  -0.4260644588  -2.9674369181
O   -2.7348724028   1.3233673065  -1.1761350162
O   -3.3946069959   1.0444962276   2.1969386200
O   -1.3845080592   0.4827856588   1.3952252038
O   -0.7244730694  -2.3797031048  -2.0468968930
O    1.8320866391   2.8559622963   0.3933111836
O    5.2060769776  -0.3343332155   0.5380136959
N   -0.8156342840  -0.1902827429  -1.4574353670
N    1.1427487955  -1.4224230205  -1.2228314771
N    1.4533456030   0.7411459367  -0.4149816013
N    3.1648737492  -0.8759684315  -0.3471053071
C   -3.1872275227  -1.1731402667  -0.4821747554
C   -3.2648074284  -0.8724217573   0.8800175586
C   -3.7732870529  -2.3182678780  -0.9964906865
C   -3.9384964302  -1.7497654232   1.7173688265
C   -4.4249332285  -3.1946761940  -0.1411794771
C   -4.5057557045  -2.9112181039   1.2108740489
C   -2.5720590413   0.2970461160   1.4945880228
C   -0.1789730226  -1.3901967061  -1.6074812752
C    1.9399247945  -0.4694087912  -0.6389335192
C    2.2732705147   1.6126908706   0.1477179706
C    3.9548265331   0.0180131896   0.2091927678
C    3.5752386237   1.3192439222   0.4936572746
C   -2.8298024850   2.1590633393   2.8991410784
C    0.4815795777   3.1328042301   0.2931435183
C    5.6491015931  -1.6140659371   0.2566818659
H   -3.7361302662  -2.5336973520  -2.0538304192
H   -0.3097654025   0.5649793604  -0.9868050586
H   -4.0081705860  -1.5399162965   2.7759421885
H   -4.8731725905  -4.0933159275  -0.5406467600
H   -5.0164410713  -3.5899730670   1.8795154462
H    1.5863204594  -2.3211872468  -1.3635285647
H    4.2359977233   2.0378089527   0.9543508937
H   -3.6511813827   2.6116441032   3.4451426696
H   -2.4149152627   2.8892603389   2.2046622328
H   -2.0598569374   1.8380524623   3.5988663998
H   -0.1535168721   2.3818966191   0.7614277615
H    5.4117216211  -1.9588102369  -0.7476089258
*