! 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  -0.7568088828   0.0436751556   3.2299618268
Cl   3.1262274948   2.8908221670  -3.2616412228
Cl   0.2373077405   4.4342752486   0.2923304894
S    1.0472107703  -2.7252154981   0.5225769609
N   -2.8074029900  -3.4346428022   0.1801650019
N   -1.3052566639  -1.2430764935   0.6024134881
N   -3.1097006251  -3.4661257025  -1.1190580998
N   -4.8979654033  -2.8765399503   0.0928554165
C   -1.4604135622  -3.6181750189   0.6267423505
C    2.0153935247  -1.2563881223   0.9486234836
C   -0.6679187965  -2.3222599368   0.5759335678
C    2.2652550914  -0.2495373156  -0.1396309894
C    2.1834380250  -0.5549274728  -1.4924909705
C    2.6441798634   1.0363030785   0.2316265546
C   -0.8535609965   0.0614930244   0.5357046715
C    2.4544663581   0.4026033964  -2.4574085410
C    2.9207189016   2.0049893247  -0.7192851842
C   -3.8753443747  -3.0645559016   0.8891797463
C   -0.6363235774   0.8160174515   1.6867719553
C   -0.7544659803   0.7074641432  -0.6962554625
C    2.8148849793   1.6795386793  -2.0611224187
C   -0.3047356665   2.1595793285   1.6252424605
C   -0.4282407289   2.0473163027  -0.7791810400
C   -0.2046832931   2.7640844061   0.3852582162
C   -4.3737047267  -3.1340450715  -1.1223391385
H   -0.9941880881  -4.3936084009   0.0184690803
H   -1.4676469518  -3.9805291310   1.6554962223
H    2.9668430548  -1.6942640276   1.2647506634
H    1.6002694980  -0.7929051476   1.8421229629
H    1.8888497225  -1.5457482021  -1.8142761086
H    2.7202603180   1.2970684196   1.2801276698
H    2.3755630291   0.1506377446  -3.5063423563
H    3.2006010760   3.0033305106  -0.4122480049
H   -3.8611514754  -2.9591675496   1.9625576157
H   -0.9411304460   0.1438258830  -1.6003707224
H   -0.1251713660   2.7177286297   2.5336851158
H   -0.3439777679   2.5225563207  -1.7463643744
H   -4.9448651091  -3.0792092907  -2.0361413956
*