! 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   0.2452470686  -1.9240547484   0.1097694213
Cl  -5.8559164315  -1.2711133596   2.3781555933
Cl   5.4212110758  -2.4659369031  -1.2020161929
S   -1.2436326822   2.6759837827  -0.9982663684
N    1.8679397703   1.7292487706   0.9657738146
N    0.4022502836   0.6383289404  -1.3382720789
N    1.0852365426   1.0550795744   1.8103973799
N    3.2424147546   0.6036758343   2.2025882863
C    1.2920925374   2.5707204539  -0.0483238376
C   -2.3613862136   1.4349233871  -1.7029041644
C    0.2608819593   1.7928357280  -0.8495266958
C   -3.2177148777   0.7680093404  -0.6638681233
C   -4.5771264419   0.5977062979  -0.9019515450
C   -2.6862502247   0.2915118471   0.5324574483
C    1.6019725301  -0.0591954281  -1.2889259433
C   -5.3967844459  -0.0323071231   0.0238936486
C   -3.4908498482  -0.3385064267   1.4672969521
C    3.1521473851   1.4483251439   1.2062634320
C    1.6597394339  -1.3004606574  -0.6528719746
C    2.7499439277   0.3951987850  -1.9361261413
C   -4.8437557477  -0.4946153515   1.2054021094
C    2.8285147377  -2.0409268953  -0.6148378171
C    3.9249604459  -0.3351918640  -1.9183384710
C    3.9571066187  -1.5456423999  -1.2461520149
C    1.9514248816   0.3935444707   2.5331614137
H    2.0898925644   2.9367726463  -0.6937513983
H    0.8358077245   3.4438477660   0.4198652814
H   -1.7432319756   0.7104538900  -2.2366472827
H   -2.9750658416   1.9487990783  -2.4421516499
H   -5.0157341406   0.9648542697  -1.8218720089
H   -1.6342649232   0.4154878613   0.7581579440
H   -6.4530291550  -0.1498756315  -0.1771001731
H   -3.0648702257  -0.6993767204   2.3937911093
H    3.9647405152   1.8768047863   0.6407344042
H    2.7180540032   1.3336944186  -2.4748314158
H    2.8531518944  -2.9915495679  -0.1002306529
H    4.8027039812   0.0422217226  -2.4245594222
H    1.6434279314  -0.2685443764   3.3271469497
*