! 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   1.5793700829   0.1182467122   3.1335176518
Cl  -3.8585250036  -2.5008557132  -2.8036646920
Cl   3.3083107718  -3.6705166151  -0.2519013773
S   -1.6278376208   3.0897043027   0.5572965849
N    2.1029394093   2.1730303999  -0.3527103400
N   -0.2302983784   0.9014127821   0.9098570562
N    2.6931344725   2.3780527889   0.8273416042
N    4.0126237764   1.1569876039  -0.5162531791
C    0.7660341437   2.6291856996  -0.6035982630
C   -2.8842999256   1.9158608638   1.1533094077
C   -0.2541735141   2.0242812620   0.3373667332
C   -3.1531835008   0.8137888844   0.1732158072
C   -3.6546331540   1.0937010757  -1.0947649535
C   -2.8875918581  -0.5090145140   0.5080809893
C    0.6594990170  -0.1160606029   0.6096334235
C   -3.8794065886   0.0811887474  -2.0136056827
C   -3.1052539079  -1.5355994086  -0.3987202370
C    2.8941001991   1.4364060467  -1.1353286138
C    1.5272073653  -0.6219356718   1.5776061003
C    0.6098233701  -0.7648415154  -0.6247705696
C   -3.5956642521  -1.2283652241  -1.6563447206
C    2.3505540281  -1.7040993323   1.3178938367
C    1.4164000926  -1.8542606327  -0.8993651382
C    2.2870251943  -2.3118477171   0.0758288941
C    3.8263053997   1.7442721626   0.6826807781
H    0.4991491917   2.3856356167  -1.6326332431
H    0.7359187138   3.7173810195  -0.5256178126
H   -3.7683658962   2.5359571672   1.3105616734
H   -2.5801932485   1.5267415158   2.1228381666
H   -3.8683210439   2.1161527632  -1.3813528986
H   -2.4957606605  -0.7483627029   1.4873930475
H   -4.2692558677   0.3134036697  -2.9951634044
H   -2.8847418973  -2.5580409193  -0.1245009805
H    2.6241171655   1.1510342354  -2.1396508900
H   -0.0857510432  -0.4133135259  -1.3763183119
H    3.0260031727  -2.0670600253   2.0799956572
H    1.3612835670  -2.3372228758  -1.8648356475
H    4.5606412363   1.7145150663   1.4718573542
*