! 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  -6.1524561027  -0.8493748642   0.8388654688
S    1.8546684218  -0.5694767330  -1.4639895295
O    2.9289291298   2.2516515992   1.2605568938
O    1.9834749976   0.8542823208  -1.7122524422
O    2.2122883093  -1.5088302311  -2.5048198662
O    0.9284971399   1.2567476549   1.0644601645
O    0.4017152367  -3.0063154713  -0.6762005508
O   -2.7599933301   2.4311632750  -0.8011861400
N    0.2493410109  -0.7768704069  -1.0751288920
N   -1.5793790711  -1.9974884555  -0.3135050218
N   -2.1420391941   0.2456840555  -0.5649590002
N   -3.6983237073  -1.3566100741   0.1973038239
C    2.7652823612  -0.9835479819   0.0015641506
C    2.9016375386  -0.0619854007   1.0419410527
C    3.4298241062  -2.1994811345   0.0293557120
C    3.7223681686  -0.3857233361   2.1132759475
C    4.2255215548  -2.5164902032   1.1199598727
C    4.3724297432  -1.6111109091   2.1568216249
C    2.1325496473   1.2164490958   1.1004544167
C   -0.2571974394  -1.9876838740  -0.6929329064
C    2.3441434503   3.5672626538   1.3394362437
C   -2.5034192715  -0.9836537067  -0.2278307408
C    2.1297988196   4.1552534798  -0.0347203058
C   -3.0599629384   1.1932308799  -0.4741799246
C   -4.3592066039   0.9241528968  -0.0376821741
C   -4.5923502556  -0.3902294278   0.2819066009
C   -1.4247273999   2.7330475913  -1.2113856541
H    3.3431250509  -2.8973282877  -0.7900460904
H    3.8438930289   0.3123781317   2.9302800220
H   -0.3403232131   0.0556034194  -0.9614361124
H    4.7363268071  -3.4685198506   1.1480608231
H    4.9986541070  -1.8523909087   3.0044040500
H   -1.9215527283  -2.9092462527  -0.0389073101
H    3.0677259411   4.1544500720   1.9005633920
H    1.4184970370   3.5344788652   1.9137374682
H    3.0649854997   4.2180663265  -0.5907868916
H    1.4157872920   3.5827053649  -0.6257332426
H    1.7364685891   5.1660890751   0.0732846662
H   -5.1087414601   1.6964300655   0.0410001309
H   -1.1532226107   2.1927086594  -2.1182032088
H   -0.7146434312   2.5130862467  -0.4155796158
H   -1.4166686340   3.7988704744  -1.4188280797
*