! 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  -0.4590558508  -1.2103818135   1.3603059948
Cl  -4.8460929709  -2.2807173843   0.6235886091
Cl   2.9298918618  -4.7548354207  -0.8241092249
S   -0.3890048021   2.9642622610  -0.1241040872
N    2.4100662711   2.7082714156   1.0790217465
N    0.4322940750   0.5897918631  -0.8714685483
N    2.0894803856   3.8042693440   1.7693266683
N    3.9072052292   4.1670996965   0.5129844205
C    1.5899003980   1.5237284562   1.1095063593
C   -1.6543898008   2.4295775375  -1.3169748045
C    0.5962948180   1.5181458412  -0.0334391876
C   -2.4679548464   1.2640132177  -0.8375771889
C   -2.5049845929   0.0828264311  -1.5692695266
C   -3.1933994796   1.3356694745   0.3472725286
C    1.0649833721  -0.6409066670  -0.8004081406
C   -3.2402181026  -1.0085931191  -1.1339111754
C   -3.9299254778   0.2534497284   0.8013215192
C    3.4911997113   2.9395222185   0.3291022309
C    0.7144522224  -1.5991898397   0.1547466970
C    2.0023033918  -0.9985296123  -1.7688458694
C   -3.9415689494  -0.9148633105   0.0557649257
C    1.2802309654  -2.8646102899   0.1527010933
C    2.5865467262  -2.2515445930  -1.7786709164
C    2.2174666311  -3.1783487711  -0.8158900475
C    3.0165324969   4.6504238528   1.4017386363
H    1.0668193736   1.4958658662   2.0647352514
H    2.2376346029   0.6492696494   1.0580841558
H   -1.1805930505   2.2215557598  -2.2754669950
H   -2.2751057539   3.3187455313  -1.4489684754
H   -1.9439873405   0.0032428101  -2.4912349361
H   -3.1790126400   2.2421954154   0.9404699016
H   -3.2516561905  -1.9220235195  -1.7131991721
H   -4.4849194182   0.3231262580   1.7271095639
H    3.9323931674   2.1942726667  -0.3147911410
H    2.2713262664  -0.2748365351  -2.5270839091
H    0.9914878063  -3.5897796402   0.9010106152
H    3.3175457675  -2.4999694410  -2.5356537401
H    3.0558515407   5.6555268627   1.7918351355
*