! 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  -0.8313314397   1.4201783378   2.9048429785
Cl   4.9682944957   1.6230545064  -2.4818057311
Cl  -2.9464003926   4.8955287825  -0.5943772099
S    0.4579293521  -2.7480719494   0.4988649817
N   -2.3852238532  -3.0083761770  -0.1711468547
N   -0.2861488458  -0.2376379294   0.5646613581
N   -2.9896134466  -3.0760071044   1.0177403415
N   -2.8556189392  -5.1117904957   0.0803410362
C   -1.8225388349  -1.7727791989  -0.6465913077
C    1.8686673488  -1.9023256977   1.2703332839
C   -0.5969121885  -1.3903242215   0.1537491469
C    2.6369570338  -1.0246545934   0.3291715540
C    3.2959851657  -1.5647653933  -0.7711730846
C    2.7147499057   0.3464625432   0.5473575991
C   -0.9691053110   0.9229811461   0.2575447383
C    4.0147005900  -0.7592438978  -1.6403788096
C    3.4326224127   1.1676139233  -0.3089960522
C   -2.3013864118  -4.2266375727  -0.7086876773
C   -1.2539754759   1.8298773261   1.2833910444
C   -1.2892666355   1.3023528210  -1.0465997550
C    4.0744363925   0.6049944589  -1.3998331940
C   -1.8700128119   3.0428784498   1.0348425573
C   -1.8941049007   2.5172563566  -1.3189096974
C   -2.1868263813   3.3756954391  -0.2727702614
C   -3.2547322135  -4.3510625546   1.1176509230
H   -2.5801012391  -0.9925176164  -0.5914049880
H   -1.5548909356  -1.9031559485  -1.6954550806
H    2.4895039420  -2.7200904001   1.6409728312
H    1.5100377295  -1.3442163256   2.1337823050
H    3.2489217824  -2.6297647750  -0.9631891125
H    2.2003992231   0.7858209093   1.3917382683
H    4.5214449427  -1.1926533229  -2.4916247563
H    3.4816213841   2.2325035212  -0.1274634211
H   -1.8446515247  -4.4139533324  -1.6676692703
H   -1.0350642922   0.6482520995  -1.8706278904
H   -2.0925565855   3.7183990277   1.8489320814
H   -2.1268771166   2.7859875669  -2.3396446620
H   -3.7663770140  -4.7531527888   1.9775930395
*