! 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   1.6544703777  -0.0056746801   3.1246547035
Cl  -4.0750673418  -2.2511320032  -3.0560919223
Cl   3.4444317711  -3.6204847102  -0.4251783378
S   -1.6714497791   2.9595605222   0.8138227652
N    2.1075558753   2.2164049269  -0.1619947387
N   -0.2182163767   0.7848805660   0.9684256214
N    2.7174292349   1.5232915504  -1.1275576871
N    4.0316540573   1.6755182993   0.6840944076
C    0.7654695912   2.7082935403  -0.3078160206
C   -2.8960779206   1.7077857998   1.3079246186
C   -0.2605845894   1.9611986970   0.5194332876
C   -3.1932989318   0.7197465784   0.2211355937
C   -3.7970571926   1.1292016606  -0.9647848461
C   -2.8721243539  -0.6239453215   0.3770308989
C    0.7075557390  -0.1822732013   0.6112860878
C   -4.0731658993   0.2231592390  -1.9756480976
C   -3.1401170196  -1.5452303664  -0.6248663169
C    2.8997841930   2.2921669717   0.9109243592
C    1.5995368832  -0.7035356918   1.5470709352
C    0.6728953415  -0.7689836060  -0.6531198480
C   -3.7375082321  -1.1105945278  -1.7956484318
C    2.4525353603  -1.7487248483   1.2368121651
C    1.5052791413  -1.8234377896  -0.9791151544
C    2.3935709546  -2.3029781950  -0.0304258351
C    3.8590633142   1.2168441510  -0.5724010172
H    0.4926894320   2.6553451129  -1.3613234937
H    0.7441978689   3.7645813423  -0.0326171587
H   -3.7797839698   2.2961678414   1.5604600490
H   -2.5571200077   1.2180426896   2.2186576112
H   -4.0562964372   2.1708854276  -1.1095619492
H   -2.4026949561  -0.9631944755   1.2903267792
H   -4.5454903986   0.5543591320  -2.8902956451
H   -2.8807823631  -2.5862095782  -0.4891837067
H    2.6224643750   2.8186071159   1.8103896862
H   -0.0279745377  -0.3936510811  -1.3871273939
H    3.1450350241  -2.1245007050   1.9771856968
H    1.4604832808  -2.2605946306  -1.9668382228
H    4.6082462737   0.6484699635  -1.1001356059
*