! 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 "WATER"
end
*xyz 0 1
Cl  -0.1733269955   0.9860751457   2.3964200778
Cl   4.3868867541   2.9991629705  -0.6616749560
Cl   0.5328532112   4.2303823527  -1.8057433413
S   -0.0934145702  -2.2976253819   0.7276647905
N   -2.8527982590  -3.6764022330   1.1803487292
N   -2.1388123672  -0.4278588825   0.6310567401
N   -3.6526458193  -3.7078547996   0.1120463752
N   -2.8344375916  -5.7526041096   0.5493630112
C   -2.5397853829  -2.4365301499   1.8395155417
C    0.5826102649  -1.6526844653  -0.8304876718
C   -1.6629147062  -1.5425613119   0.9911317851
C    1.5286031320  -0.4887760339  -0.7386877701
C    2.2969673998  -0.2280199721   0.3894067899
C    1.6912403740   0.3216643736  -1.8577583505
C   -1.4370417812   0.6100048879   0.0317054681
C    3.1799464297   0.8394787705   0.4189775120
C    2.5797073699   1.3849280009  -1.8506226508
C   -2.3654007713  -4.8931927286   1.4187692686
C   -0.5360346699   1.3913201900   0.7583784693
C   -1.7344301657   1.0012783125  -1.2720273521
C    3.3076043773   1.6432685460  -0.7020598364
C    0.0630096143   2.5110889992   0.2055833472
C   -1.1334865153   2.1058630592  -1.8462973484
C   -0.2395067280   2.8550181048  -1.0980725061
C   -3.6122144506  -4.9705291521  -0.2217207436
H   -2.0387432133  -2.6697508663   2.7802156013
H   -3.4595628650  -1.9070924419   2.0767616926
H   -0.2378116905  -1.4520997634  -1.5182121855
H    1.1084338056  -2.5198060306  -1.2381873335
H    2.1965689946  -0.8419120394   1.2747085809
H    1.1116062456   0.1311243075  -2.7520705998
H    3.7554076501   1.0413283426   1.3119704074
H    2.6815411659   2.0142130172  -2.7234777811
H   -1.6912416863  -5.1057222740   2.2332463758
H   -2.4452300639   0.4211761744  -1.8452377993
H    0.7613507889   3.0962542061   0.7867663922
H   -1.3656296442   2.3764515446  -2.8667764857
H   -4.1736279625  -5.3478661700  -1.0616681963
*