! 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  -0.0754287369  -2.8426568744   0.0873070884
Cl  -6.7436967865  -0.8390995889   1.0674790333
Cl   5.0012684695  -3.8904638087  -1.2844633542
S   -0.6159379259   2.2130319305   0.2932781953
N    2.2522776851   2.5845274548   1.2520561206
N    0.6338216178  -0.0099970929  -0.4314956016
N    3.0198617364   2.8423208582   0.1922156078
N    2.7946583812   4.6701210154   1.4625610521
C    1.6553031219   1.2872943570   1.4260173462
C   -1.7083390988   1.6585012505  -1.0532804764
C    0.6414487389   0.9913519974   0.3375276812
C   -2.9657316555   1.0310245789  -0.5364385684
C   -4.1731300792   1.7172300784  -0.5895733562
C   -2.9457902860  -0.2450650184   0.0202818716
C    1.6918020770  -0.9008050547  -0.5533807308
C   -5.3413532388   1.1493372505  -0.1002782075
C   -4.1008049073  -0.8266368204   0.5138639623
C    2.1202095265   3.6836019454   1.9991006684
C    1.4787337001  -2.2722949500  -0.4019558234
C    2.9658887778  -0.4836494067  -0.9430256955
C   -5.2934686678  -0.1201456585   0.4494557684
C    2.4874363694  -3.1955845439  -0.6171723741
C    3.9862739947  -1.3907898258  -1.1664167523
C    3.7385473442  -2.7432217892  -1.0017242519
C    3.3244914260   4.1028345244   0.3613376655
H    1.1492077009   1.2710496160   2.3920867895
H    2.4328153206   0.5264335357   1.4550516199
H   -1.1323987805   0.9715418928  -1.6747765282
H   -1.9253949850   2.5449964865  -1.6484883504
H   -4.2132897445   2.7111698689  -1.0181242368
H   -2.0136988190  -0.7935552925   0.0663898738
H   -6.2731603331   1.6962753357  -0.1495434247
H   -4.0711818476  -1.8195327594   0.9421003706
H    1.5389201791   3.7120186223   2.9072034619
H    3.1562002172   0.5729307928  -1.0850484874
H    2.2954532053  -4.2516280047  -0.4864521809
H    4.9620155951  -1.0381004173  -1.4707562529
H    3.9538473151   4.6346090944  -0.3350404792
*