! 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   1.4778539782   0.2831842439   3.4253991750
Cl  -3.6606890875  -1.6596157769  -3.8172034413
Cl   3.7936993775  -3.5753365664   0.4949535981
S   -1.7533019991   2.7707276367   1.1795700466
N    1.8434786431   2.0305821631  -0.1036261616
N   -0.4054836369   0.5291004491   1.0728059671
N    1.4857667268   1.8454707209  -1.3751753727
N    3.5650304429   1.0918975239  -1.0221596821
C    0.9314261454   2.6221625791   0.8332952747
C   -3.0500790472   1.5035196590   1.2604930643
C   -0.3173416904   1.7831064550   1.0187299204
C   -3.2012083615   0.7210107522  -0.0112963952
C   -3.4481731363   1.3592998498  -1.2223955022
C   -3.1073746342  -0.6657866940   0.0030164163
C    0.6370904485  -0.3732294002   0.9397110874
C   -3.5911577167   0.6361858893  -2.3958308053
C   -3.2552128407  -1.4069163415  -1.1595846864
C    3.0845233523   1.5756754580   0.0949160619
C    1.5476156266  -0.6396768950   1.9627468988
C    0.7219188950  -1.1432240324  -0.2207177513
C   -3.4908203831  -0.7458022947  -2.3535074376
C    2.5167582540  -1.6222941744   1.8391884078
C    1.6902209344  -2.1171564403  -0.3696295376
C    2.5825944123  -2.3506177307   0.6651305197
C    2.5468936244   1.2775535228  -1.8871853713
H    0.6720896085   3.6259000876   0.4946450790
H    1.4382539015   2.7308238227   1.7930662526
H   -3.9567359088   2.0695092051   1.4851435956
H   -2.8563435516   0.8509125186   2.1109997636
H   -3.5219973816   2.4392560430  -1.2640960475
H   -2.9059591491  -1.1827331708   0.9322542874
H   -3.7787273041   1.1478052647  -3.3301479484
H   -3.1756486676  -2.4852153881  -1.1301809060
H    3.5841827716   1.6241667796   1.0501375213
H    0.0120612669  -0.9609879785  -1.0164058091
H    3.2111242517  -1.8064848974   2.6473990561
H    1.7427706699  -2.6889337459  -1.2858773601
H    2.5941849023   0.9922113118  -2.9265373336
*