! 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   -1.8337589013   1.2376558360   1.1113084377
F   -1.8449751642  -0.6035347103  -3.1300352028
F   -1.1075807172   0.9459136660  -1.8522099946
F   -0.5360873666  -1.1037908168  -1.5081086364
O   -2.2227876824   1.2693269018   2.4991552045
O   -1.7381334119   2.4751251845   0.3663833219
O   -0.9434269665  -1.4132086391   1.9684105120
O    5.5574068911  -1.4832055873   0.0048031982
O    3.2065728130   2.4556418150  -0.7067452944
N   -0.3480626395   0.5185846092   0.9434181647
N   -4.0214726522  -0.1227196768   1.0095425829
N    1.1935021459  -1.1861459992   1.2715106958
N    3.3734174797  -1.3341532709   0.6464671981
N    2.1779702783   0.6619113330   0.2628604879
C   -2.9534319240   0.0780597730   0.2775151459
C   -2.7481024790  -0.5126047617  -0.9707774050
C   -3.7262066344  -1.4042384610  -1.3978865950
C   -1.5532526182  -0.3081039955  -1.8623191480
C   -4.8431690722  -1.6344171009  -0.6172034012
C   -0.0907496101  -0.7323831622   1.4418703566
C   -4.9597389904  -0.9518666949   0.5790686641
C    2.2920444187  -0.5808436110   0.6995437521
C    4.4463578295  -0.7780228494   0.1022762663
C    3.2654168807   1.2124605606  -0.2687345016
C    4.4626332446   0.5261017700  -0.3797930904
C    5.5572164143  -2.8344623330   0.4565226807
C    1.9779054842   3.1696588080  -0.6016217576
H    0.4343752406   1.0447978558   0.5272015085
H   -3.6258956149  -1.9244646112  -2.3398960222
H   -5.6084292595  -2.3271981581  -0.9358309610
H   -5.8252084647  -1.0788699041   1.2165462150
H    1.3526003917  -2.1256477723   1.6114506601
H    5.3451268220   0.9706554415  -0.8162386876
H    4.8374424607  -3.4426905981  -0.0918032053
H    6.5596805806  -3.2076987135   0.2639458660
H    5.3472438774  -2.9050155009   1.5238176658
H    1.6489502858   3.2614508628   0.4342151218
H    1.1927235008   2.7106088045  -1.2037569073
H    2.1806712842   4.1630523082  -0.9928420554
*