! 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   1.0919939243  -1.2175137930   3.9525785988
Cl  -2.8065522183  -0.6229214651  -4.1540805064
Cl   3.3956788807  -4.5396738515   0.4136049638
S   -0.9778140245   2.5861292519   1.5832488034
N    1.2815919645   2.4971763517  -0.5705828069
N    0.0324843375   0.1620460894   1.5855644901
N    0.8581056759   1.7144976226  -1.5639469340
N    0.8981698328   3.8543900801  -2.2143978755
C    1.5365070231   1.9488686517   0.7362510727
C   -2.4821897873   1.5694108441   1.4291814694
C    0.2617421774   1.3697723064   1.3109642038
C   -2.6137976007   1.0110953132   0.0457006745
C   -2.4912341131  -0.3530763377  -0.1884146191
C   -2.8158264287   1.8597866971  -1.0397519805
C    0.8898309170  -0.8864186798   1.2861083288
C   -2.5550714081  -0.8658863223  -1.4768559696
C   -2.8860405801   1.3661117792  -2.3300349943
C    1.2896357398   3.7723223576  -0.9661603401
C    1.4114918618  -1.6687624755   2.3177073073
C    1.1610911058  -1.2686662138  -0.0271601360
C   -2.7452672591   0.0019602084  -2.5375220379
C    2.1879533269  -2.7856404859   2.0618241068
C    1.9277697520  -2.3881629590  -0.3024566729
C    2.4366876838  -3.1378182104   0.7451305501
C    0.6435441866   2.5688413156  -2.5299052143
H    1.9024138866   2.7512828473   1.3786922445
H    2.3198051570   1.1942928162   0.6778145588
H   -3.2954931945   2.2566112423   1.6691929087
H   -2.4714364705   0.7908762033   2.1898575562
H   -2.3379687889  -1.0318878467   0.6402474061
H   -2.9079743879   2.9278238214  -0.8836520088
H   -2.4498638988  -1.9293302993  -1.6436908855
H   -3.0403898501   2.0386616944  -3.1629296940
H    1.5878307695   4.5867731118  -0.3246345231
H    0.7584014554  -0.6769349885  -0.8390748317
H    2.5893682651  -3.3693826857   2.8787431632
H    2.1225430230  -2.6670997681  -1.3289105968
H    0.2901536766   2.2541878056  -3.4993979473
*