! 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   -0.2369970353   0.4242395525  -1.6192441195
S    5.5934944318   2.9136424684  -0.3154873490
O    0.4720771541   0.0631052618  -2.8263562584
O   -1.2195377652   1.4915857547  -1.6460742186
O   -1.0283036117   3.1103147364   1.2286133466
O    5.9440178542   2.8459479193   1.0974921474
O    4.4823791350   3.7702423808  -0.7070817902
O   -1.6790654984   0.9716687080   1.3251402581
O    0.6759573924  -2.3252073076  -1.0146499862
O   -4.9389480096  -5.1927599699   1.4899521731
O   -5.3493507427  -0.8207111467  -0.0085441773
N    5.3847427246   1.3452097066  -0.8222950235
N   -1.0830220526  -0.8886120761  -1.0582609062
N   -1.3240176613  -3.0552951416  -0.2673535731
N   -3.1287663267  -4.1231884715   0.6034755785
N   -3.3366864183  -1.8955225147  -0.1434431950
C    0.9552768611   0.7906636229  -0.3586835474
C    3.2542469573   0.7781575191   0.3451928469
C    4.6952641400   0.4245282761   0.0795270967
C    2.2761509650   0.4457640116  -0.5855594252
C    0.5780008666   1.4914874593   0.7863364644
C    2.8822555213   1.4741449549   1.4868465950
C    1.5606759503   1.8341484204   1.7023823746
C   -0.8426408962   1.8126742172   1.1206157153
C    7.0149664246   3.3939221096  -1.2556045651
C   -0.4950429156  -2.0973188271  -0.8017380590
C   -2.6580815012  -3.0087668660   0.0752774773
C   -2.3319467305   3.5591609898   1.6106213085
C   -4.4078620805  -4.1119378849   0.9486113950
C   -4.6212717563  -1.9011270764   0.1997527780
C   -5.2315116162  -3.0068688196   0.7681022704
C   -4.1167162041  -6.3396593883   1.6856330757
C   -4.7392026671   0.3249560557  -0.5975763685
H    4.7613115729  -0.5559796941  -0.3910088167
H    5.2544343452   0.3603038316   1.0111239486
H    2.5531614374  -0.0824138638  -1.4882379960
H    3.6260959389   1.7432162869   2.2251810767
H    1.2978620930   2.3769472685   2.6006731611
H    5.0291074836   1.3112219166  -1.7734024095
H   -2.0637108682  -0.7596232388  -0.7724201860
H    7.8564834638   2.7548637443  -1.0006820667
H    7.2431863667   4.4292086150  -1.0045881790
H    6.7957312766   3.3213968073  -2.3193883434
H   -3.0823519343   3.2584928983   0.8797389757
H   -2.2746818320   4.6431527776   1.6400500364
H   -2.6089853477   3.1833299626   2.5951202491
H   -6.2747294383  -3.0098466161   1.0484731702
H   -3.2779195218  -6.1279706678   2.3489123437
H   -3.7374290016  -6.7308037455   0.7413612028
H   -4.7589132858  -7.0845255729   2.1484534450
H   -3.9540257013   0.7311320698   0.0399091103
H   -4.3385363872   0.1070667064  -1.5882278799
H   -5.5321975653   1.0619601230  -0.6944611032
H   -0.8681205207  -3.9382701124  -0.0782390765
*