! 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  -0.0736224571  -2.7967755179   0.2739990571
Cl  -6.6853542202  -0.9348227217   0.9928199884
Cl   4.9509846971  -3.8961137053  -1.2450579311
S   -0.6227217398   2.2493640793   0.3017732591
N    2.2584765755   2.5929127007   1.2300170561
N    0.6010529013   0.0105836883  -0.4203770241
N    2.9703371382   2.8506731054   0.1323566866
N    2.8573922701   4.6626518667   1.4397381506
C    1.6486514112   1.3043613407   1.4208631097
C   -1.7070236965   1.7224731055  -1.0638802718
C    0.6200187306   1.0147771319   0.3448744048
C   -2.9519239729   1.0540523498  -0.5706364005
C   -4.1356484785   1.7718835949  -0.4404889411
C   -2.9430269163  -0.2914741200  -0.2148720398
C    1.6557195382  -0.8863442634  -0.5374493498
C   -5.2894753389   1.1681418425   0.0375914233
C   -4.0852875315  -0.9101440582   0.2651095790
C    2.1914857021   3.6827080985   1.9983436449
C    1.4554901275  -2.2487938891  -0.3101358776
C    2.9122544763  -0.4831133103  -0.9923481838
C   -5.2522633064  -0.1707786871   0.3898639052
C    2.4601913877  -3.1781171536  -0.5188528513
C    3.9282833856  -1.3965950103  -1.2101169577
C    3.6932335729  -2.7406419194  -0.9724942111
C    3.3106628305   4.1018384052   0.3018295655
H    1.1561859900   1.3012138659   2.3942211940
H    2.4161027369   0.5327860679   1.4436349834
H   -1.1207757714   1.0728893059  -1.7142086309
H   -1.9394181417   2.6299962011  -1.6204014639
H   -4.1671602696   2.8192538392  -0.7151756742
H   -2.0297969512  -0.8634302991  -0.3150888377
H   -6.2032341508   1.7392384840   0.1312987096
H   -4.0656934162  -1.9569502154   0.5372358511
H    1.6613299346   3.7090428337   2.9373782496
H    3.0909532245   0.5671932939  -1.1859760474
H    2.2791857852  -4.2271741993  -0.3295880110
H    4.8912618140  -1.0561137635  -1.5648135050
H    3.9127999366   4.6316572108  -0.4197925874
*