! 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 "1-OCTANOL"
end
*xyz 0 1
S    1.1917767581   1.4949600570  -1.5343861432
F   -0.1401324663  -1.8567608332   0.8845680359
F    1.1939014108  -0.6036033405   2.0155671793
F    0.8962866069  -2.6564503295   2.5921677708
O    1.0694183984   2.9091843294  -1.8183818948
O    1.1741360826   0.5534857288  -2.6404745357
O    0.2354817612   2.5144719388   1.0720340210
O   -3.2939688287  -1.7667080197  -1.8996360236
N   -0.0924127587   1.0017714744  -0.5871105552
N   -1.6408297619   1.2628826414   1.1318479797
N   -3.6625583385   0.2715109853   1.4676616333
N   -2.4080087075  -0.2606696224  -0.4458266280
N   -4.4942851620  -1.2805799799  -0.0906772637
C    3.0827566818  -0.0277167064  -0.1615346337
C    2.4347464767  -1.3420962674  -0.5319378623
C    2.6228349274   1.2458769784  -0.5145246093
C    2.1739630237  -2.2772003028   0.6497646490
C    4.2663689775  -0.0771087090   0.5739826125
C    3.2910226741   2.4043864940  -0.1263367057
C    1.0374747793  -1.8464557666   1.5329369766
C    4.9438464100   1.0657096719   0.9602096546
C    4.4521903816   2.3154728738   0.6167023172
C   -0.4451813813   1.6562351286   0.5611286863
C   -2.5984332968   0.3927196911   0.6925777804
C   -4.5854240358  -0.5809275304   1.0312733482
C   -3.3881634710  -1.0789205058  -0.7888040741
C   -5.8152548396  -0.7328835698   1.8524672768
C   -2.1263274648  -1.6202684787  -2.7081387829
H    1.5212266495  -1.2166647988  -1.1045643220
H    3.1175494234  -1.8648745055  -1.2051744476
H    1.9344370373  -3.2704436289   0.2652074697
H    3.0634143451  -2.3953337699   1.2696244019
H    4.6770083419  -1.0407792504   0.8482025463
H    2.9100209202   3.3768809312  -0.4007995440
H    5.8595158907   0.9775453129   1.5298791495
H    4.9686652252   3.2159782344   0.9192548883
H   -0.7561397890   0.3260584275  -0.9844215448
H   -1.8613251453   1.7350357846   2.0000477455
H   -6.5102285949   0.0765886319   1.6168428736
H   -6.3165998277  -1.6747774407   1.6438369091
H   -5.5867221308  -0.6637837360   2.9143327077
H   -2.0068296649  -0.5954394895  -3.0598508566
H   -2.2791227821  -2.2720938681  -3.5635163758
H   -1.2305519140  -1.9413808360  -2.1758269157
*