! 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  -1.7263842594  -0.6722726374   3.1985205016
Cl   4.4224338765   1.7705498546  -3.6662608138
Cl  -4.0707833853   3.5265935445   0.8147815881
S    1.7323368606  -2.6550629297   0.9333662051
N   -1.9541248328  -2.0330176207  -0.2962537862
N    0.2467614721  -0.4926913699   0.9166816153
N   -1.7250666973  -1.5851349113  -1.5329436629
N   -3.8328568581  -1.1360371431  -0.9049974006
C   -0.9181881412  -2.6651999537   0.4674055627
C    2.9501600708  -1.3461512023   1.2566902149
C    0.2452062291  -1.7438516037   0.7683649956
C    3.3055634223  -0.5636921908   0.0290265893
C    4.0159204247  -1.1668143036  -1.0059973275
C    2.9508560568   0.7747861810  -0.0973467089
C   -0.8394325226   0.3658647594   0.8640050776
C    4.3636961748  -0.4582614202  -2.1440391628
C    3.2913437477   1.5007232562  -1.2302429944
C   -3.2065649453  -1.7496420968   0.0659638374
C   -1.7850741949   0.4547448381   1.8870260973
C   -0.9254153192   1.2932885542  -0.1751706319
C    3.9936424890   0.8745714501  -2.2460647922
C   -2.7784483147   1.4203170066   1.8841089333
C   -1.9173457853   2.2546253186  -0.2056903157
C   -2.8355137435   2.3150268601   0.8309314707
C   -2.8755034028  -1.0522909994  -1.8490264646
H   -0.5660772145  -3.5451682145  -0.0715645377
H   -1.3452536766  -3.0204768686   1.4059778963
H    3.8179963318  -1.8847424075   1.6405954266
H    2.5795358376  -0.7073139498   2.0567004872
H    4.3073060982  -2.2072567486  -0.9287212426
H    2.4025781588   1.2646959317   0.6954658086
H    4.9187364127  -0.9399277562  -2.9372123681
H    3.0087519486   2.5412255331  -1.3135108260
H   -3.6178655093  -2.0254190277   1.0240475789
H   -0.1929418290   1.2542681351  -0.9699992018
H   -3.4957458132   1.4651950267   2.6916929142
H   -1.9630065058   2.9551409884  -1.0277841291
H   -3.0384000272  -0.5911364287  -2.8098841950
*