! 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   1.9749025242  -0.9266335931   3.5607100111
Cl  -2.8289795720   0.0187508051  -4.2084777855
Cl   3.7286614598  -4.2447074012  -0.2831868460
S   -1.2909772636   2.0819402629   2.1443155672
N    0.9839973897   2.2707149220  -0.1536901180
N   -0.1842357408  -0.2423171652   1.5978856160
N    0.9726452989   1.4538080876  -1.2091968992
N    0.3885676798   3.5278351656  -1.8149054947
C    1.2299752221   1.7525497406   1.1686501591
C   -2.7592701153   1.1018327139   1.7012976070
C   -0.0030301319   1.0036785147   1.6298822419
C   -2.8128227308   0.8309199504   0.2281204191
C   -2.8302220125   1.8800963241  -0.6875145927
C   -2.8173470951  -0.4726990935  -0.2518677093
C    0.7842414394  -1.1344792471   1.1451020600
C   -2.8404132805   1.6392307168  -2.0499598650
C   -2.8344208101  -0.7333867276  -1.6156652891
C    0.6206503171   3.5016555639  -0.5260170841
C    1.8150513948  -1.5833661769   1.9693982329
C    0.6914481504  -1.6720870589  -0.1366654399
C   -2.8369378343   0.3284209731  -2.5027843363
C    2.7234936843  -2.5404198189   1.5429940632
C    1.5883695906  -2.6243048558  -0.5822962296
C    2.5998199977  -3.0526044936   0.2640672579
C    0.6164998517   2.2501794844  -2.1825561312
H    1.4535780954   2.5851257720   1.8353822352
H    2.1066564965   1.1081377913   1.1372167237
H   -3.5991325447   1.7173951833   2.0299650077
H   -2.7777443238   0.1837476369   2.2860353601
H   -2.8214759112   2.9056848643  -0.3397505379
H   -2.8004058065  -1.3040328738   0.4412071359
H   -2.8462168334   2.4653599873  -2.7477005157
H   -2.8330082066  -1.7544296669  -1.9727701560
H    0.5538832829   4.3295017319   0.1620612396
H   -0.0974481168  -1.3270289097  -0.7904879338
H    3.5155588966  -2.8707194262   2.2007658718
H    1.4973415498  -3.0224055680  -1.5834075391
H    0.5166270185   1.8983017913  -3.1973905699
*