! 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  -1.6325217474  -0.2935168800   3.2991198372
Cl   3.6612869097   1.6947710290  -3.7452893084
Cl  -3.7321919754   3.6240790927   0.2842287820
S    1.7748394956  -2.7413034864   1.2447116688
N   -1.8531038990  -2.0947580939  -0.0760728034
N    0.3768319314  -0.5372466845   1.0541670508
N   -1.5452232495  -1.8572930320  -1.3531754162
N   -3.6200549559  -1.1342381532  -0.8898236057
C   -0.8962315481  -2.6762743400   0.8209412737
C    3.0397692986  -1.4439939273   1.3446184227
C    0.3169789050  -1.7945984675   1.0254038975
C    3.1968605194  -0.6671297864   0.0708396729
C    3.0392175718   0.7139321747   0.0668711091
C    3.5101948795  -1.3055817124  -1.1245868907
C   -0.6586100247   0.3612519070   0.8644195921
C    3.1867257742   1.4497852148  -1.0989337452
C    3.6561801071  -0.5878798390  -2.3014561108
C   -3.0829398886  -1.6500842436   0.1857877917
C   -1.6126122378   0.6416359180   1.8433813560
C   -0.6802984558   1.1322520802  -0.2987935932
C    3.4899278434   0.7879946699  -2.2770364961
C   -2.5576162714   1.6413341708   1.6787835627
C   -1.6236590703   2.1232960335  -0.4900872384
C   -2.5546749820   2.3737467411   0.5056198923
C   -2.6317325899  -1.2796480218  -1.7923744059
H   -0.5973767331  -3.6532918528   0.4406449547
H   -1.3808433545  -2.8458295407   1.7832071694
H    3.9534244289  -1.9901359561   1.5875129631
H    2.8171764458  -0.7908874223   2.1870891877
H    2.7894889347   1.2305894364   0.9838147854
H    3.6363311608  -2.3808990341  -1.1516944664
H    3.0548768077   2.5229130245  -1.0837639217
H    3.8956930158  -1.0995034538  -3.2234660359
H   -3.5461986829  -1.7439715870   1.1553248665
H    0.0640267609   0.9444153589  -1.0604698308
H   -3.2849125922   1.8353726500   2.4547551212
H   -1.6215320634   2.6981468421  -1.4055599364
H   -2.7205607112  -0.9546505093  -2.8167303679
*