! 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   0.0710522671   2.8402184763   0.0789901364
Cl   6.7458622846   0.8025912327   1.1019427407
Cl  -5.0086559413   3.8932498554  -1.2796331519
S    0.6136412056  -2.2121832822   0.2692593274
N   -2.2382719431  -2.5814528030   1.2591066397
N   -0.6409338326   0.0101066701  -0.4476083927
N   -2.9585668116  -2.8683888186   0.1738366840
N   -2.8218395274  -4.6495936177   1.5209173525
C   -1.6467508513  -1.2804593711   1.4208089782
C    1.7068667145  -1.6421865040  -1.0704056671
C   -0.6417954233  -0.9892335545   0.3238059731
C    2.9656674047  -1.0263276603  -0.5431729003
C    2.9454850633   0.2328657820   0.0510461747
C    4.1741705528  -1.7079204266  -0.6216764015
C   -1.6991432318   0.9015326248  -0.5612687405
C    4.1010884789   0.8016758798   0.5576689323
C    5.3432236323  -1.1523294391  -0.1203288109
C   -2.1583559478  -3.6530154019   2.0523392952
C   -1.4852693706   2.2725302774  -0.4066739315
C   -2.9744567085   0.4845227881  -0.9470605533
C    5.2949361945   0.0998063451   0.4677289402
C   -2.4941891129   3.1964502229  -0.6177719862
C   -3.9951847529   1.3924695240  -1.1662091283
C   -3.7461461301   2.7447542244  -1.0006049537
C   -3.2884889132  -4.1178042666   0.3740854058
H   -1.1350802885  -1.2559243091   2.3838147734
H   -2.4263320522  -0.5212780514   1.4491891963
H    1.1329455977  -0.9435072663  -1.6805460751
H    1.9211393959  -2.5194611608  -1.6798435416
H    2.0126668561   0.7780076053   0.1181915950
H    4.2141200397  -2.6892264936  -1.0783792968
H    4.0713927663   1.7813775871   1.0153503791
H    6.2758882644  -1.6957582926  -0.1886181338
H   -1.6215587328  -3.6546400510   2.9882649831
H   -3.1636260949  -0.5720639595  -1.0918570123
H   -2.3022047444   4.2522367272  -0.4848573095
H   -4.9719664392   1.0409759855  -1.4687056270
H   -3.8892167832  -4.6682480514  -0.3330520610
*