! 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  -1.7500051518  -0.8295906339   3.1778718071
Cl   4.3263441600   1.9519875700  -3.5149100938
Cl  -4.1230922801   3.4082249863   0.8968899689
S    1.7246555194  -2.7152679692   0.8699728298
N   -1.8750326854  -1.9626750519  -0.5086130823
N    0.2617915794  -0.5403909491   0.9497658381
N   -3.0956050338  -1.6504870224  -0.0661095770
N   -2.7765856683  -0.8455499341  -2.1367302190
C   -0.9144146895  -2.6552710074   0.3073950903
C    2.9492836591  -1.4307302740   1.2578315487
C    0.2520113092  -1.7797257620   0.7195105121
C    3.2893425428  -0.5812288580   0.0710376908
C    3.9660608904  -1.1296730731  -1.0152928830
C    2.9468695487   0.7656486844   0.0324382019
C   -0.8275233834   0.3174464506   0.9110182401
C    4.2903522609  -0.3592163008  -2.1196879064
C    3.2640933229   1.5531409487  -1.0653077069
C   -1.6979716942  -1.4692636409  -1.7362700509
C   -1.8007526651   0.3436750677   1.9107100927
C   -0.8955479683   1.2914642268  -0.0848580886
C    3.9307788498   0.9801781003  -2.1350103578
C   -2.8110870402   1.2906951840   1.9197446477
C   -1.9079467048   2.2320490260  -0.1065139388
C   -2.8591620058   2.2251066077   0.9013170197
C   -3.5912359664  -0.9790805243  -1.0712100732
H   -0.5516167937  -3.5296513883  -0.2340748778
H   -1.4258461382  -3.0217405171   1.1975507038
H    3.8198416416  -1.9918625385   1.6009682786
H    2.5884086844  -0.8370808084   2.0958561355
H    4.2473900145  -2.1757188922  -1.0073961604
H    2.4244404332   1.2132468073   0.8665761311
H    4.8176437784  -0.7995735503  -2.9546365297
H    2.9894767984   2.5989789984  -1.0803738419
H   -0.7844062002  -1.5984131894  -2.2955619711
H   -0.1384982333   1.3012059591  -0.8579607071
H   -3.5511241140   1.2886287140   2.7077867137
H   -1.9438200149   2.9665206602  -0.8987657499
H   -4.5913668916  -0.5772870650  -1.0407199648
*