! 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  -0.2361635760   1.8969429248   0.1950843229
Cl   5.8315206876   1.3650465701   2.3139029806
Cl  -5.3870142081   2.4832260721  -1.1947417741
S    1.2304081198  -2.7043559604  -0.9754172174
N   -1.9076114418  -1.7521339137   0.9415025410
N   -0.3753291118  -0.6344837127  -1.3102547436
N   -1.1357095729  -1.1092243239   1.8198089376
N   -3.2961917742  -0.6542154721   2.1877255266
C   -1.3201731285  -2.5794165318  -0.0775944369
C    2.3686042330  -1.4908422637  -1.6921156476
C   -0.2608887627  -1.8007028832  -0.8411438357
C    3.2144949600  -0.7918405978  -0.6647474901
C    2.6873543061  -0.3230190715   0.5358475230
C    4.5640556710  -0.5785395567  -0.9264289629
C   -1.5716986522   0.0706077343  -1.2730921213
C    3.4857080276   0.3423609749   1.4520246285
C    5.3765698443   0.0877021868  -0.0205645306
C   -3.1941594408  -1.4704922568   1.1691153396
C   -1.6371818274   1.2974457406  -0.6102195632
C   -2.7086112192  -0.3642197465  -1.9525062402
C    4.8274252290   0.5428437724   1.1660338523
C   -2.8045877504   2.0404361103  -0.5760228782
C   -3.8820558102   0.3684451125  -1.9378772113
C   -3.9235169331   1.5625740697  -1.2373959395
C   -2.0097961186  -0.4623452043   2.5464425750
H   -2.1076840010  -2.9218434520  -0.7480112100
H   -0.8862347006  -3.4682886750   0.3823499537
H    1.7690088238  -0.7802767825  -2.2642237221
H    2.9929314930  -2.0347942849  -2.4003200534
H    1.6440795849  -0.4793140736   0.7799724813
H    4.9988661350  -0.9388570442  -1.8508486299
H    3.0629266519   0.6956465913   2.3828658574
H    6.4249672545   0.2391365970  -0.2393799315
H   -4.0005523919  -1.8764812625   0.5788893523
H   -2.6698251178  -1.2905333632  -2.5115836567
H   -2.8358363982   2.9801107073  -0.0417183237
H   -4.7523708348   0.0050328019  -2.4665745264
H   -1.7120497852   0.1744199011   3.3647131590
*