! 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
Cl   2.0361833001  -1.1658931753   3.0971168151
Cl  -3.7069801205  -0.7296478397  -3.7974055411
Cl   2.8135391424  -4.8945906084  -0.6907156216
S   -0.7633946612   2.3614527579   1.7127117795
N    1.7827742984   2.7992083381   0.2989004683
N   -0.0732888850  -0.1095085952   1.1960554591
N    1.3520197410   2.8808457751  -0.9604367340
N    1.9107672762   4.9056710366  -0.1851547671
C    1.7567753826   1.5447231232   0.9966794105
C   -2.3488965909   1.4807255362   1.6288657226
C    0.3415262660   1.0779045421   1.2640756307
C   -2.6686151344   0.9382229626   0.2655533058
C   -2.5941832677   1.7381731098  -0.8701403675
C   -3.0651985260  -0.3864104569   0.1214986398
C    0.6799734055  -1.1879536603   0.7596046942
C   -2.9112568856   1.2332786319  -2.1211126482
C   -3.3928609655  -0.9073147955  -1.1212719943
C    2.1065374177   4.0143345870   0.7530919808
C    1.6505439357  -1.8143964666   1.5411447867
C    0.3869820444  -1.7448982449  -0.4858037301
C   -3.3100578167  -0.0895735467  -2.2360803109
C    2.3089772551  -2.9543331307   1.1062254843
C    1.0406107466  -2.8726678005  -0.9431251876
C    1.9978213296  -3.4725866137  -0.1384721794
C    1.4497679318   4.1598400486  -1.2104967120
H    2.2820030630   1.6670395576   1.9450261412
H    2.2964680603   0.7981936082   0.4136247163
H   -3.0790673259   2.2353606477   1.9301753748
H   -2.3658678076   0.6944293205   2.3819493456
H   -2.2722192346   2.7689646687  -0.7900311344
H   -3.1133174633  -1.0320888007   0.9892032408
H   -2.8452569520   1.8665976677  -2.9955343284
H   -3.6968602779  -1.9412583296  -1.2147352037
H    2.4757359383   4.1927346085   1.7511494802
H   -0.3754515814  -1.2756555614  -1.0939410400
H    3.0554610674  -3.4241080529   1.7317487719
H    0.7986060217  -3.2806244927  -1.9147557239
H    1.1810530202   4.5754094413  -2.1691139460
*