! 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   -1.8087504511   1.1791619562   1.1633102652
F   -1.8639841821  -0.5533726879  -3.1254072119
F   -1.0961081863   0.9524967970  -1.8140844406
F   -0.5730721213  -1.1169232779  -1.5099610673
O   -2.1819931648   1.1731533915   2.5565134418
O   -1.7164611207   2.4364815895   0.4506630121
O   -0.9168534731  -1.5081690938   1.9207488670
O    5.6051622462  -1.4440574531   0.0206821124
O    3.1726718264   2.4366532529  -0.7342549333
N   -0.3291641047   0.4614202631   0.9637486306
N   -4.0216414530  -0.1326189410   1.0359336544
N    1.2245787628  -1.2375313116   1.2505057449
N    3.4130440003  -1.3403046479   0.6438413145
N    2.1799399014   0.6297522010   0.2483739594
C   -2.9521118995   0.0632636590   0.3047130678
C   -2.7719778647  -0.4854588472  -0.9666033538
C   -3.7833899653  -1.3224872382  -1.4244163660
C   -1.5704999738  -0.2912079116  -1.8514246761
C   -4.9043791657  -1.5450276596  -0.6468615051
C   -0.0664903724  -0.8039374870   1.4219997444
C   -4.9889323534  -0.9132252866   0.5793016818
C    2.3157912451  -0.6100575974   0.6874389002
C    4.4774420118  -0.7639703452   0.1033513120
C    3.2564141014   1.1985894429  -0.2862438248
C    4.4674299803   0.5358626244  -0.3903721467
C    5.6363940453  -2.7860846911   0.4990141415
C    1.9279090685   3.1243492279  -0.6421067796
H    0.4505208844   0.9985086740   0.5543035174
H   -3.7080508734  -1.8052448062  -2.3883338247
H   -5.6978842627  -2.1918502055  -0.9916105784
H   -5.8539368261  -1.0386303474   1.2176724731
H    1.3931329882  -2.1822929933   1.5711978849
H    5.3415153676   0.9955806203  -0.8279463037
H    4.9287581118  -3.4211440829  -0.0340777552
H    6.6465989379  -3.1402188868   0.3109639232
H    5.4313429912  -2.8386663501   1.5683618927
H    1.1528101577   2.6345416851  -1.2324345055
H    2.1070630503   4.1134636873  -1.0550389651
H    1.5989591767   3.2309107077   0.3923544347
*