! 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   -1.4735112502   1.1858861694  -0.6510297689
F   -3.3300718805   1.4008509470   2.4493906304
F   -4.1361365785   1.5896341472   0.4596409673
F   -5.1062506031   0.3304997852   1.8982011281
O   -1.2931666782   2.1760032639   0.3910976309
O   -2.3259429902   1.4416646152  -1.7863140697
O   -0.4112145434  -0.3504009626  -3.0652313369
O    5.8301256018  -1.6610753447  -0.7706942396
O    3.2387998485   1.2078198495   1.7988211587
N    0.0548845063   0.8328964676  -1.1579195477
N   -1.2546130581  -1.3825116575  -0.2005897654
N    1.6510000487  -0.5070186338  -2.1717459637
N    3.7405714201  -1.0802615431  -1.4791837694
N    2.4330176606   0.3781772821  -0.1693990809
C   -1.9990224248  -0.3582209069   0.1399975957
C   -3.0769355439  -0.4412142919   1.0190540598
C   -3.3482542464  -1.6954144349   1.5516085214
C   -3.9130738883   0.7301018770   1.4538544958
C   -2.5690352540  -2.7794571873   1.1899931397
C    0.3556518970  -0.0359355937  -2.1886610742
C   -1.5276740289  -2.5771075596   0.3037356519
C    2.6450137259  -0.3902710394  -1.2246793917
C    4.7093961893  -0.9913367677  -0.5791260293
C    3.4108571014   0.4570567500   0.7278086992
C    4.6066180421  -0.2232137295   0.5757923714
C    5.9637674198  -2.4628319971  -1.9410516888
C    2.0020946608   1.8964427166   1.9684479558
H    0.8052814367   0.9542577309  -0.4556706452
H   -4.1618679662  -1.8375652738   2.2489125674
H   -2.7674045712  -3.7625013302   1.5914342133
H   -0.8893358161  -3.3932701945  -0.0088839756
H    1.8817826340  -1.1032266265  -2.9558829932
H    5.4036543041  -0.1610748111   1.3022350029
H    5.2035291534  -3.2427242415  -1.9862365614
H    5.9161021288  -1.8621114015  -2.8494998062
H    6.9451494034  -2.9243146255  -1.8686929534
H    1.1638675485   1.2034668812   2.0514189388
H    1.8200677323   2.6077258806   1.1622021568
H    2.0954263045   2.4426244135   2.9032422823
*