! 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  -2.7922212069  -0.3753636075  -2.6052313641
Cl   4.4585467033   2.3828221001   1.7468541569
Cl  -2.7335084093   4.8193264849  -1.2505646972
S    0.4393659001  -2.9396683508  -0.2791953290
N   -1.7356072035  -2.4781529685   1.6000384221
N   -0.2176613194  -0.5099759101  -1.0024422046
N   -1.0668737209  -2.0575732143   2.6758578658
N   -1.6342945440  -4.2192288260   2.8913886865
C   -1.8752480092  -1.6467530115   0.4382142243
C    1.9495541199  -2.3050330924  -1.0616440253
C   -0.5832433151  -1.5194037721  -0.3386441841
C    2.5642974829  -1.1386168399  -0.3433779293
C    2.9092573676   0.0069208376  -1.0517470918
C    2.8160567522  -1.1775266938   1.0240302885
C   -0.8870068752   0.7044838907  -1.0209156776
C    3.4970323460   1.0925226416  -0.4207494446
C    3.3981806774  -0.0998961573   1.6733347994
C   -2.0523294539  -3.7681808335   1.7368097423
C   -2.0507273576   0.9340178186  -1.7541894013
C   -0.3101632469   1.7895856404  -0.3591072389
C    3.7335513723   1.0293027354   0.9424835043
C   -2.6251033078   2.1935567033  -1.8318519550
C   -0.8734059718   3.0499301623  -0.4126709181
C   -2.0284536818   3.2426831721  -1.1558049329
C   -1.0400577842  -3.1310464340   3.4191657213
H   -2.2340799367  -0.6628666622   0.7395190097
H   -2.6349838057  -2.0901372650  -0.2067334146
H    1.7446865502  -2.0642240069  -2.1032170922
H    2.6212697807  -3.1658875618  -1.0532869257
H    2.7095527627   0.0634756832  -2.1139138767
H    2.5477939675  -2.0526696872   1.6023405534
H    3.7536653475   1.9773884217  -0.9869728776
H    3.5868251447  -0.1432163292   2.7373153595
H   -2.5892554690  -4.3227072844   0.9831730904
H    0.6026656078   1.6277312522   0.1995604835
H   -3.5256192083   2.3464940787  -2.4101560806
H   -0.4102029857   3.8722893892   0.1142205148
H   -0.5744270463  -3.1318164116   4.3917395546
*