! 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  -1.8540430864   0.3373596465   3.1534961582
Cl   6.3879055370   0.2287644283  -3.3983864262
Cl  -5.3482795876   2.8875119741  -0.0155598598
S    1.6855098180  -1.6384455759   1.2795678482
N   -2.0303266007  -2.0366543000   0.1139535583
N   -0.1529619648   0.1637118727   0.6685751339
N   -1.8589036429  -1.9966867399  -1.2096406968
N   -4.0179575623  -1.6825621405  -0.6800570452
C   -0.9155119575  -2.1973762313   1.0017615887
C    2.6945496953  -0.1260898201   1.3257148886
C    0.0734602022  -1.0519978966   0.9235621061
C    3.6115865409  -0.0300854566   0.1457198593
C    4.9850198092  -0.1608844287   0.3112180896
C    3.1086918605   0.1844652633  -1.1356825490
C   -1.4113054413   0.7305886720   0.5104393763
C    5.8484543116  -0.0794178160  -0.7727485184
C    3.9548983585   0.2675775446  -2.2280326922
C   -3.3158674320  -1.8379568983   0.4126583593
C   -2.2796290030   0.9331172770   1.5856832454
C   -1.7924840158   1.2412320048  -0.7299152839
C    5.3227609217   0.1324865550  -2.0351765295
C   -3.4867504590   1.5957292223   1.4372591874
C   -2.9989102216   1.8929699617  -0.9027757904
C   -3.8388148668   2.0664243677   0.1854591558
C   -3.0739789724  -1.7757449797  -1.6369369110
H   -0.4149200879  -3.1400581932   0.7756005389
H   -1.2897680491  -2.2801071444   2.0230333045
H    3.2559005648  -0.1527792043   2.2583114917
H    2.0041450018   0.7163473342   1.3728073089
H    5.3968650845  -0.3292979163   1.2983591001
H    2.0417779760   0.2893512329  -1.2892474794
H    6.9148206866  -0.1829741715  -0.6267111793
H    3.5517703772   0.4352535936  -3.2172593492
H   -3.6906790297  -1.8403511326   1.4243053496
H   -1.1269893650   1.1191514300  -1.5733409788
H   -4.1403254834   1.7315076159   2.2876871842
H   -3.2741448179   2.2653713619  -1.8794925543
H   -3.2941538482  -1.6891750849  -2.6890565616
*