! 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   0.3344630327  -1.8707544194   0.4178146038
Cl  -6.0106211404  -1.3136820928   2.0617052531
Cl   5.5293548404  -2.3924590935  -0.8075385196
S   -1.2359044819   2.5941246098  -1.1281830890
N    1.8457456173   1.8297156903   0.9604968155
N    0.4301675253   0.5452689825  -1.2915005234
N    1.0674141741   1.2100085613   1.8510859541
N    3.2316537854   0.7764860356   2.2543724743
C    1.2706533555   2.5797487050  -0.1237844287
C   -2.3135891699   1.3401032843  -1.8698651355
C    0.2652154106   1.7314776001  -0.8839017252
C   -3.2229201684   0.6871241805  -0.8688492514
C   -2.7458146761   0.1950006760   0.3438495218
C   -4.5755478441   0.5464048148  -1.1581259640
C    1.6466737721  -0.1157351667  -1.1606751684
C   -3.5958161836  -0.4228459444   1.2458241741
C   -5.4410586178  -0.0719994093  -0.2663318356
C    3.1284596011   1.5534331538   1.2052903541
C    1.7329930367  -1.2850535732  -0.4036920615
C    2.7882732628   0.3048664187  -1.8412927084
C   -4.9408585565  -0.5508402763   0.9319388628
C    2.9209254659  -1.9854086806  -0.2846299050
C    3.9830999003  -0.3857377379  -1.7424300719
C    4.0411669359  -1.5226480068  -0.9537720029
C    1.9417634877   0.5889395655   2.5977745372
H    2.0721831060   2.9101934667  -0.7836372495
H    0.7951059763   3.4797143179   0.2673296425
H   -1.6699924827   0.6093139760  -2.3615401695
H   -2.8891281307   1.8429546831  -2.6460658880
H   -1.7002571099   0.2967738910   0.6044248138
H   -4.9706482881   0.9264820713  -2.0919878620
H   -3.2123801916  -0.7960151188   2.1856592614
H   -6.4909326656  -0.1683468592  -0.5066628102
H    3.9386127434   1.9503084484   0.6145478878
H    2.7372546120   1.1865940614  -2.4671934894
H    2.9670402310  -2.8784951458   0.3228896907
H    4.8555090830  -0.0341435425  -2.2753141822
H    1.6379371478  -0.0205327117   3.4340727852
*