! 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    0.2949833166  -0.9635701135   0.6047107932
F    5.4919088691  -3.2441368126  -0.0671950703
F    4.9818067064  -1.2225161263   0.4549319305
F    5.6270210198  -1.6837651404  -1.5441034958
O    0.4531673109  -2.2256250664  -0.0868668635
O    0.1232088174  -0.9758528167   2.0469828127
O   -0.5008613340  -0.1391676806  -2.1181790187
O   -4.5527737549   0.9104753790   2.5732105622
N   -1.0940161385  -0.2072722211   0.0684038680
N   -2.5069987185   0.7129988152  -1.5342258583
N   -4.5789818749   1.6337796033  -1.3155618488
N   -3.4707000344   0.7882471125   0.5769111204
N   -5.6128838894   1.7289072347   0.7966729115
C    2.5574800418  -0.0170008242  -0.7863897335
C    2.7439597073  -1.2597140592  -1.6177657429
C    1.5749006795   0.1936188059   0.1876512697
C    3.4595396163  -2.4178211728  -0.9175436980
C    3.4581144749   1.0303208614  -0.9914850978
C    1.5101043535   1.3778290038   0.9231976180
C    4.8817688940  -2.1376644657  -0.5224855895
C    3.3994891636   2.2113852702  -0.2751163841
C    2.4220389694   2.3883134686   0.6936801151
C   -1.3070133242   0.0967263098  -1.2437718631
C   -3.5513355399   1.0549440658  -0.7196872790
C   -5.5880173451   1.9562089468  -0.5093413262
C   -4.5301722010   1.1425429604   1.2831447256
C   -6.7530449200   2.6429954679  -1.1217970123
C   -3.4324364912   0.2649843269   3.1816307523
H    1.7907343923  -1.6347816755  -1.9779936275
H    3.3039379584  -0.9816365398  -2.5107710548
H    2.9215785537  -2.7334476420  -0.0239640727
H    3.4700085812  -3.2720748351  -1.5968315116
H    4.2257860574   0.9110561830  -1.7458123229
H    0.7450994949   1.5256487624   1.6739178487
H    4.1186678962   2.9945616887  -0.4739501535
H    2.3648196376   3.3047214645   1.2640507116
H   -1.8266206043   0.0267883510   0.7498618720
H   -2.6325552269   0.9347453258  -2.5137520364
H   -6.9953190996   2.2117881149  -2.0911478551
H   -7.6254037630   2.6027606598  -0.4755389236
H   -6.5021749955   3.6927926508  -1.2892313829
H   -3.6871477237   0.1653403557   4.2322702447
H   -2.5286656838   0.8672185135   3.0912273030
H   -3.2672564925  -0.7263281494   2.7607116902
*