! 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    0.2976445189  -0.9559575938   0.6276151213
F    5.4677367944  -3.2535133513  -0.0857952885
F    4.9611703410  -1.2361227718   0.4555610752
F    5.6083896274  -1.6794834552  -1.5465676905
O    0.4671009746  -2.2220764874  -0.0514793417
O    0.1016817055  -0.9471363191   2.0661795877
O   -0.4902575612  -0.1470340278  -2.1252093641
O   -4.5403721294   0.9171943237   2.5669465343
N   -1.0815689344  -0.1997649520   0.0642039488
N   -2.5038788424   0.6914615850  -1.5431816377
N   -4.5740706665   1.6176684363  -1.3242428968
N   -3.4659735311   0.7790028689   0.5692489657
N   -5.6034514698   1.7271237432   0.7878961713
C    2.5482583560  -0.0086340619  -0.7784380041
C    2.7222869987  -1.2486725401  -1.6174396408
C    1.5837960305   0.1961186617   0.2145233838
C    3.4386067764  -2.4142621474  -0.9298790803
C    3.4428569930   1.0410820323  -0.9953833238
C    1.5345485708   1.3735881673   0.9608672539
C    4.8611799723  -2.1410579583  -0.5302656640
C    3.3967419910   2.2179089162  -0.2713019486
C    2.4413622712   2.3862124727   0.7199991584
C   -1.2946606243   0.0869168668  -1.2517620212
C   -3.5457990775   1.0380788911  -0.7294807346
C   -5.5806428291   1.9465818790  -0.5188935649
C   -4.5222552150   1.1412949509   1.2770111748
C   -6.7474356893   2.6335083715  -1.1326122653
C   -3.4189628535   0.2755114294   3.1756559994
H    1.7641848655  -1.6186375338  -1.9705367858
H    3.2758690678  -0.9683625435  -2.5142127901
H    2.8983350957  -2.7405609425  -0.0414659877
H    3.4471880138  -3.2608204602  -1.6192708728
H    4.1952930050   0.9282177689  -1.7656377552
H    0.7845437749   1.5147061123   1.7277453099
H    4.1099550564   3.0041078634  -0.4804885582
H    2.3975421715   3.2981722657   1.2992009790
H   -1.8210040418   0.0296756312   0.7400813638
H   -2.6335592764   0.9100476643  -2.5231687148
H   -6.9734559209   2.2173742218  -2.1127264623
H   -7.6246768538   2.5690297870  -0.4939773902
H   -6.5108889815   3.6902679181  -1.2770082452
H   -3.6691086221   0.1871416877   4.2289974584
H   -2.5131363192   0.8742495856   3.0763784316
H   -3.2557361398  -0.7209279384   2.7648032022
*