! 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   2.1673137147   1.7042152513  -2.4088793319
Cl  -7.6392685516  -1.3526995063   1.4869325360
Cl   5.8317189472  -2.1143992897  -1.5131454955
S   -1.5866901750   1.6076144366   0.1935472406
N    2.1044813681   1.4675897166   1.4723931760
N    0.4467591839   0.0911493025  -0.5277705231
N    1.9373820890   0.5603463392   2.4364777655
N    4.1105348178   0.8158059782   1.9612729819
C    0.9723373383   2.1007753918   0.8607814858
C   -2.4157781439   0.4084540649  -0.8983932396
C    0.0956900178   1.1210721094   0.1053154555
C   -3.7212728643  -0.0161122052  -0.2998145687
C   -4.9270711037   0.4204581386  -0.8342725286
C   -3.7456797509  -0.8662305249   0.8037551556
C    1.7445363506  -0.3612802108  -0.7125783863
C   -6.1384656926   0.0140450906  -0.2913167714
C   -4.9439122120  -1.2812634476   1.3575504851
C    3.4048389000   1.6101994277   1.1982108626
C    2.6322538500   0.2445768471  -1.6035135649
C    2.1569313245  -1.5389591053  -0.0897969456
C   -6.1348592930  -0.8351752285   0.8015612784
C    3.8860701128  -0.2858075385  -1.8593984144
C    3.4086502473  -2.0763894377  -0.3205099271
C    4.2662413826  -1.4444626757  -1.2067334973
C    3.1657344162   0.1946577135   2.6964595032
H    1.3272233247   2.8667315928   0.1697178847
H    0.3930705934   2.6130520923   1.6304912977
H   -1.7338785145  -0.4352034557  -1.0127999463
H   -2.5532117498   0.8654955602  -1.8773827155
H   -4.9318990929   1.0838407256  -1.6903330399
H   -2.8169981167  -1.2153903202   1.2389947966
H   -7.0692308863   0.3591511439  -0.7204758835
H   -4.9480322921  -1.9463454548   2.2104114528
H    3.7778943405   2.2944714648   0.4521780192
H    1.4765909798  -2.0353115018   0.5889882110
H    4.5538733758   0.2062772212  -2.5529876000
H    3.7064266920  -2.9840351050   0.1860474364
H    3.3933130956  -0.5446395998   3.4483289144
*