! 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   2.1212884365   1.6719971434  -2.4450708459
Cl  -7.6419574894  -1.3229684857   1.5189991815
Cl   5.8919157494  -2.0229441072  -1.4954207566
S   -1.5791146799   1.5891928260   0.1761536754
N    2.0880204477   1.4498163680   1.4750704918
N    0.4459485810   0.0474042477  -0.5335057002
N    1.8930383700   0.5516398923   2.4437819193
N    4.0806284585   0.7592056110   1.9843103687
C    0.9788129288   2.0820633418   0.8200220872
C   -2.4301687356   0.4038931474  -0.9131112531
C    0.0974266127   1.0937259599   0.0830850954
C   -3.7323377837  -0.0111977091  -0.3013373652
C   -4.9391792300   0.4478881358  -0.8143383107
C   -3.7519615487  -0.8749278618   0.7915316212
C    1.7565395607  -0.3768984716  -0.7128647913
C   -6.1484440697   0.0496625823  -0.2603167346
C   -4.9480664699  -1.2824055106   1.3560402462
C    3.3912646258   1.5533708107   1.2065528856
C    2.6252699150   0.2395120183  -1.6157246651
C    2.2037231942  -1.5333312564  -0.0742601490
C   -6.1401184232  -0.8140283401   0.8211329487
C    3.8935586116  -0.2579948597  -1.8660633018
C    3.4706949309  -2.0375977865  -0.2985769335
C    4.3074839321  -1.3950914612  -1.1965842916
C    3.1130100785   0.1669504635   2.7106793098
H    1.3609966238   2.8180413779   0.1112706690
H    0.3954611243   2.6341547143   1.5578167852
H   -1.7604078446  -0.4464721359  -1.0401925877
H   -2.5762699499   0.8699035851  -1.8861482185
H   -4.9460352675   1.1217033270  -1.6618006631
H   -2.8217982757  -1.2412762454   1.2085746369
H   -7.0801824703   0.4115934535  -0.6725598588
H   -4.9495295518  -1.9581330639   2.2001432265
H    3.7857290128   2.2280565897   0.4631854138
H    1.5413567878  -2.0407022004   0.6132780060
H    4.5450712052   0.2427726634  -2.5685525190
H    3.7954856118  -2.9275738461   0.2219841912
H    3.3169154375  -0.5718200190   3.4693726269
*