! 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   0.9839914526  -0.0660162135  -2.0054837860
S    1.7431288442  -1.3306398293   0.8896840670
O    1.5066017007  -2.4461184307  -0.0043551422
O    2.3006383817  -1.5769574964   2.2015787933
O    0.9651622166   1.1705014295   2.2534324925
O   -3.3006092641  -1.8071622646  -1.2621764025
N    0.2504985250  -0.6094108398   1.0393949833
N   -1.1539881852   1.1925352183   1.4736342739
N   -3.2554802374   1.6260283569   0.7032294053
N   -2.1824342384  -0.3759896503   0.1043953027
N   -4.3399417480   0.0809727925  -0.7036915609
C    2.7371155730  -0.1008515873   0.0905596180
C    2.4108020987   0.4128645893  -1.1627337102
C    3.8851892323   0.3300449091   0.7420036425
C    3.2300804808   1.3577915993  -1.7558497174
C    4.7093768601   1.2657912713   0.1410067576
C    0.0878527142   0.6125868240   1.6318183753
C    4.3790627624   1.7779046508  -1.1036530862
C   -2.2328470069   0.7918485441   0.7318365515
C   -4.2904602358   1.2225869811  -0.0324709890
C   -3.2592577493  -0.6772417748  -0.5993135877
C   -5.4705562618   2.1212691298  -0.0862369874
C   -2.1763941060  -2.6870232158  -1.2021961133
H   -0.5309988881  -0.9744269064   0.4770399616
H    4.1381489334  -0.0609042814   1.7166032551
H    2.9709308170   1.7637655683  -2.7235347905
H    5.6033922861   1.5964915173   0.6496959983
H    5.0143251964   2.5138090607  -1.5764970241
H   -6.2010790835   1.7782366794  -0.8128552862
H   -5.9467029440   2.1600139599   0.8950155545
H   -5.1653275785   3.1375132778  -0.3328316145
H   -2.4436211053  -3.5464834721  -1.8090114348
H   -1.9818442799  -3.0169866324  -0.1822718877
H   -1.2840809268  -2.2229530884  -1.6220637828
H   -1.2524454509   2.0939235895   1.9237479842
*