! 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   -3.2695070363  -0.7393758960   0.2089792707
O   -1.0203275590   2.1244048060  -0.7572266057
N   -1.9220943404   0.2854315720   0.2777155356
C    1.5138786726  -0.5313287640  -0.7024588442
C    0.4386734691  -1.5332401567  -0.2882432409
C    2.7106814188  -0.4610052379   0.2389847559
C   -0.1860861455  -1.3012853700   1.0837468988
C    3.7863151523   0.4963022161  -0.2621998302
C   -0.8787334919   0.0447109554   1.2578118676
C    4.9665027441   0.6753580218   0.6883976605
C    5.7785602190  -0.5915558525   0.9195819505
C   -1.9105754630   1.2876548670  -0.6624348348
C   -3.1101510302   1.1695370500  -1.4791623848
C   -3.8982565753   0.1468113443  -1.1170888302
H    1.0788560234   0.4661279437  -0.8123649589
H    1.8665887707  -0.8079961099  -1.7011481436
H    0.8666659233  -2.5401275589  -0.2974370600
H   -0.3486144164  -1.5428036487  -1.0482664900
H    3.1267588355  -1.4659684897   0.3651232034
H    2.3895654421  -0.1390292066   1.2357414692
H    0.5703806791  -1.3747213950   1.8689271136
H   -0.8952575786  -2.1082099582   1.2942559441
H    3.3286099348   1.4743857853  -0.4428670378
H    4.1541623903   0.1530797311  -1.2357376328
H   -0.1725781102   0.8678765402   1.1593977071
H   -1.3041956354   0.1176644976   2.2611857173
H    5.6256313336   1.4506735269   0.2878869569
H    4.6038974488   1.0566663305   1.6484432954
H    5.1970400038  -1.3698309455   1.4161549595
H    6.1438055515  -1.0060367923  -0.0229569040
H    6.6492165015  -0.3934159283   1.5471031401
H   -3.3213929522   1.8521183696  -2.2886099986
H   -4.8388518678  -0.1532628378  -1.5561594248
*