! 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  -1.5703164358   1.6945263443   2.0216166908
Cl   8.2090924844  -0.2286414302  -0.4030055494
Cl  -6.0368986764   2.3810928192  -0.8739406321
S    1.5162018995  -1.1851279157   0.4410425053
N   -2.3126812299  -1.9932639064   0.8013583425
N   -0.6044831623   0.1299796176  -0.3589453644
N   -3.4045139439  -1.4816582134   1.3744013383
N   -3.9593874049  -2.7371027027  -0.3943424514
C   -0.9923629504  -1.7094041398   1.2946438728
C    2.2185128202   0.1611964282  -0.5622911610
C   -0.1908756635  -0.8067699446   0.3771911079
C    3.7120064625   0.0541865232  -0.5177636585
C    4.4330438402   0.6468565903   0.5146604415
C    4.4025723681  -0.6447776921  -1.5024159197
C   -1.9119727140   0.5941673664  -0.4240745796
C    5.8154780504   0.5630399549   0.5587649325
C    5.7856333734  -0.7388200731  -1.4737836797
C   -2.6579781180  -2.7395723697  -0.2531618446
C   -2.4709444498   1.3875872046   0.5786665873
C   -2.6657684697   0.3792711576  -1.5764774086
C    6.4806371474  -0.1294748764  -0.4413809335
C   -3.7317594804   1.9449769848   0.4487134440
C   -3.9348711200   0.9085495054  -1.7171644821
C   -4.4574232960   1.6939349479  -0.7017738296
C   -4.3669423993  -1.9505304685   0.6242952292
H   -0.4602731301  -2.6487364213   1.4539991439
H   -1.0901057526  -1.2329681391   2.2707339709
H    1.8700883158   1.1101057704  -0.1549008347
H    1.8420472026   0.0701529672  -1.5802753477
H    3.9144055402   1.1918625848   1.2940819085
H    3.8602355140  -1.1166867669  -2.3126363145
H    6.3639236598   1.0366524226   1.3617376085
H    6.3103656927  -1.2779335923  -2.2509338346
H   -1.9389221942  -3.2560728134  -0.8707268421
H   -2.2428225087  -0.2170943362  -2.3742326006
H   -4.1399998316   2.5580103303   1.2405805050
H   -4.5026122935   0.7146299147  -2.6167666909
H   -5.4033440168  -1.7243175255   0.8212124491
*