! 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  -0.8581958652  -0.0390765175   1.7177622425
Cl   3.5944796195   3.4006186461   0.9778333315
Cl   0.0578991174   4.1719609806  -1.4779307755
S    0.6885954022  -2.8553793475  -0.6541870039
N   -2.5590222929  -3.3672924210   1.0891437720
N   -1.6776828230  -1.4128125815  -0.7580358907
N   -1.9934053701  -3.4091728615   2.2983697922
N   -4.0216412367  -2.4552842124   2.4082116367
C   -1.8032087656  -3.6843150332  -0.0904153710
C    1.5123695648  -1.5872964968  -1.6535739605
C   -1.0168565640  -2.4657841190  -0.5463882717
C    2.0142007815  -0.3594802742  -0.9458052236
C    2.2914945366   0.7691440371  -1.7122283912
C    2.2684360477  -0.3165832981   0.4187019420
C   -1.1988895139  -0.1296930027  -0.9584725807
C    2.7921867472   1.9232869825  -1.1335746786
C    2.7566878874   0.8347958485   1.0166233900
C   -3.7518133343  -2.7775313229   1.1680714767
C   -0.8280564345   0.6542097449   0.1371173784
C   -1.2180640558   0.4715186313  -2.2142653509
C    3.0084079679   1.9487612912   0.2339923970
C   -0.4508179367   1.9772851366  -0.0102469547
C   -0.8373702240   1.7908338507  -2.3822217801
C   -0.4533524126   2.5321745224  -1.2769507053
C   -2.9096361286  -2.8605055172   3.0501222275
H   -2.4837959673  -3.9809057930  -0.8875612927
H   -1.1648391354  -4.5386277744   0.1258640943
H    0.8757540466  -1.3312618779  -2.4989880655
H    2.3584743986  -2.1360392270  -2.0757759040
H    2.1093862409   0.7549613407  -2.7794711266
H    2.0641190120  -1.1774731227   1.0412948238
H    2.9902071084   2.7953611137  -1.7406476063
H    2.9310024096   0.8587008039   2.0834046637
H   -4.3899690420  -2.6256145574   0.3134357126
H   -1.5301642944  -0.1083526945  -3.0725191005
H   -0.1513696024   2.5576156854   0.8508315727
H   -0.8393282360   2.2307906621  -3.3696001651
H   -2.7760102948  -2.7553397142   4.1151505221
*