! 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  -0.4918941731  -1.2366941244   1.2395314214
Cl  -4.8008834220  -2.3338570719   0.5930348858
Cl   3.0099821758  -4.6828190506  -0.9218133119
S   -0.4000721423   2.9741427763  -0.0685419235
N    2.3315842442   2.6998743571   1.1831028406
N    0.4570393766   0.6367041381  -0.9062363012
N    3.2384046002   2.9445624735   0.2341913870
N    3.0698311479   4.6884347352   1.6387282063
C    1.5410575809   1.4970162161   1.1520409964
C   -1.6932097218   2.4710747216  -1.2443111831
C    0.5890568082   1.5283107253  -0.0220085973
C   -2.4775782281   1.2785228304  -0.7845780739
C   -3.1706745811   1.2984569301   0.4213860834
C   -2.5241050960   0.1261732214  -1.5601061406
C    1.1007032434  -0.5909899473  -0.8485349911
C   -3.8898512439   0.1946734571   0.8503424951
C   -3.2423489144  -0.9864200677  -1.1500354199
C    2.2327534960   3.7486228441   2.0002652182
C    0.7259417064  -1.5794640870   0.0651980199
C    2.0790642373  -0.9094686509  -1.7888822908
C   -3.9148137373  -0.9425730508   0.0585275189
C    1.3049101109  -2.8390361017   0.0478150195
C    2.6771582531  -2.1557426636  -1.8131345455
C    2.2810999710  -3.1143853769  -0.8933667695
C    3.6504001535   4.1420973773   0.5549855041
H    0.9815767519   1.4292369829   2.0846671199
H    2.2062759171   0.6365780924   1.0953998674
H   -1.2465829317   2.3051901193  -2.2231339070
H   -2.3272233867   3.3566391567  -1.3221471059
H   -3.1489766047   2.1818935637   1.0475896390
H   -1.9882900713   0.0875556551  -2.4991036520
H   -4.4224915270   0.2245162908   1.7909555220
H   -3.2630239718  -1.8760865853  -1.7643316306
H    1.5566397835   3.7756450518   2.8402925878
H    2.3722048041  -0.1623085321  -2.5139511022
H    0.9965160644  -3.5884767412   0.7633755404
H    3.4394258687  -2.3726736226  -2.5482065028
H    4.4152277098   4.6429104682  -0.0170869488
*