! 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    0.2983078898  -1.2461695704   0.0118435981
O   -2.2371675843  -1.4445733415   0.0169563060
N   -1.6095460498   0.7360879134  -0.0075144762
N    0.6419294162   1.3244159435  -0.0134160492
N   -3.8475660226   0.1440999999  -0.0034106708
C    1.9233000593  -0.6289251726   0.0056321050
C    1.8972124002   0.7708217459  -0.0080094164
C   -0.2732989315   0.4158933458  -0.0044329921
C    3.1181911988  -1.3366240635   0.0130930984
C    3.0969465907   1.4816888303  -0.0146945639
C   -1.9900838200   2.1417936391  -0.0202136091
C   -2.5722413362  -0.2665136397   0.0029030238
C    4.3020509503  -0.6176479427   0.0064415176
C    4.2887564616   0.7796861211  -0.0073893179
C   -4.9665442004  -0.7678397348   0.0067285134
H    3.1321223470  -2.4189017480   0.0239240758
H    3.0867322511   2.5640711636  -0.0253899965
H   -2.5649896103   2.3815888131  -0.9146730728
H   -1.0955740240   2.7523941669  -0.0248486232
H   -2.5667776207   2.3972797526   0.8688094965
H    5.2464413859  -1.1458511725   0.0125663117
H    5.2260682658   1.3207927594  -0.0119435971
H   -4.0727174632   1.1243688003  -0.0188145986
H   -5.5828408480  -0.6297226843  -0.8817528894
H   -5.5881744347  -0.6033170405   0.8869812397
H   -4.6157532074  -1.7946194532   0.0231929640
*