! 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   0.8800069133  -1.5053085022   1.4591446989
Cl  -3.3988276546  -1.3974682480   2.6850514119
Cl   0.7621284329  -4.4930944912  -2.9957706293
S    0.4641824591   2.4772801181  -1.7075475957
N    1.2625114256   3.1550567983   1.4249238606
N    1.9269429118   0.5975950000  -0.2728019575
N    0.4734572676   4.2324067662   1.4410972687
N    0.0423224030   2.9122551502   3.2047779633
C    2.1729771578   2.8725274431   0.3381940881
C   -0.8155770237   1.2374904281  -2.0568647106
C    1.5853730133   1.7856972737  -0.5357042149
C   -1.4379068784   0.6023131708  -0.8478416189
C   -1.7978865531  -0.7397745184  -0.9019717546
C   -1.7069126664   1.3193246299   0.3132173954
C    1.5791324262  -0.5503489292  -0.9595378367
C   -2.4083586497  -1.3615279777   0.1753655721
C   -2.3120602293   0.7123863041   1.4013835222
C    0.9810975194   2.3710825000   2.4681474259
C    1.1479029751  -1.6638456404  -0.2343189225
C    1.7677120982  -0.6972267023  -2.3322585465
C   -2.6562729211  -0.6266809844   1.3222124631
C    0.8894114331  -2.8752241889  -0.8483331468
C    1.5209882389  -1.9034074251  -2.9655893441
C    1.0804670295  -2.9823102309  -2.2168286505
C   -0.2345770632   4.0416652161   2.5247075629
H    3.1237528831   2.5351246708   0.7444130655
H    2.3461053088   3.7978027690  -0.2076859953
H   -0.4496950071   0.4855946607  -2.7532875211
H   -1.5578855675   1.8293145920  -2.5993085307
H   -1.5977751340  -1.3167095865  -1.7965644325
H   -1.4502231071   2.3695143582   0.3775690318
H   -2.6740129497  -2.4081892928   0.1203909321
H   -2.5065465294   1.2818785406   2.2992649650
H    1.4877305184   1.4382050135   2.6563715910
H    2.1293584060   0.1417793436  -2.9129035393
H    0.5385691523  -3.7174308159  -0.2683993951
H    1.6740407501  -1.9934349810  -4.0317740055
H   -0.9774843479   4.7547597766   2.8452194092
*