! 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  -2.3054992934  -0.8944809370  -2.5436367095
Cl   4.4647142741   2.9667183326   1.2143963548
Cl  -3.3763820476   3.6863824658   0.0424240700
S    1.5421895017  -3.1276380071  -0.0864393667
N   -1.9177740020  -1.9195333358   1.3462794996
N    0.0283162358  -1.0749183469  -0.7027227732
N   -2.7265677288  -2.4936148060   0.4520784385
N   -3.8203108618  -0.9100570001   1.6083380046
C   -0.5283669801  -2.2731851464   1.4219716685
C    2.6108667489  -2.2011096626  -1.2314543924
C    0.2240099053  -1.9949625657   0.1380767885
C    3.0958487147  -0.9129587494  -0.6383002008
C    2.7204253126   0.3069033906  -1.1887548112
C    3.9153253625  -0.9137480961   0.4874823043
C   -0.8133351868   0.0043951394  -0.4831581652
C    3.1401712480   1.5052102697  -0.6289571109
C    4.3447371823   0.2726245285   1.0597892710
C   -2.5787899033  -0.9741563999   2.0166414447
C   -1.9174852017   0.2387870963  -1.3026961767
C   -0.5003062473   0.9646957362   0.4796449827
C    3.9455860282   1.4754526064   0.4962353553
C   -2.7148860006   1.3592156843  -1.1406780106
C   -1.2769874559   2.0967754856   0.6483387902
C   -2.3860311875   2.2797055201  -0.1607090421
C   -3.8476590303  -1.8511537076   0.6448140771
H   -0.4402948586  -3.3298318985   1.6800762572
H   -0.0678943395  -1.7166461000   2.2393398639
H    2.0826552911  -2.0422569129  -2.1695630319
H    3.4374317767  -2.8855813242  -1.4300441911
H    2.0848989991   0.3319995776  -2.0635174461
H    4.2222426507  -1.8507838990   0.9357859601
H    2.8328772448   2.4452418752  -1.0660271264
H    4.9803935764   0.2558082605   1.9344318264
H   -2.1231361618  -0.3827367006   2.7945334384
H    0.3773397228   0.8241953542   1.0976454207
H   -3.5767901907   1.5078783349  -1.7760078195
H   -1.0130225130   2.8237749516   1.4035479779
H   -4.7318336221  -2.0780614572   0.0704641278
*