! 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  -0.7725901360   1.4014707926   2.9626405669
Cl   4.8284422593   1.6362212839  -2.5583377071
Cl  -2.8131739611   4.9587018248  -0.4999120286
S    0.4138321146  -2.7724516084   0.4978435837
N   -2.4060921690  -3.0162895300  -0.1806023371
N   -0.2801481273  -0.2501993376   0.6045060872
N   -2.9657921372  -3.1919590022   1.0192064828
N   -2.8347624361  -5.1416041475  -0.0877082514
C   -1.8807885956  -1.7373586978  -0.5764775182
C    1.8577693745  -1.9544637376   1.2363262801
C   -0.6263393745  -1.3933653692   0.1961053542
C    2.6007320674  -1.0624826762   0.2878067512
C    3.1943428735  -1.5780449042  -0.8599371026
C    2.7146593291   0.2993982828   0.5440425025
C   -0.9399625461   0.9274241785   0.3134002835
C    3.8816548833  -0.7565537277  -1.7398063787
C    3.4033605277   1.1357448798  -0.3210124486
C   -2.3240577143  -4.1846023396  -0.8197612813
C   -1.1944651339   1.8345508756   1.3467448668
C   -1.2586380750   1.3237745519  -0.9860402967
C    3.9778501783   0.5979361835  -1.4607423761
C   -1.7780978279   3.0658484679   1.1102021775
C   -1.8311449884   2.5568047579  -1.2466046690
C   -2.0932473325   3.4161955088  -0.1931514465
C   -3.2080068745  -4.4753709559   1.0212040167
H   -2.6439492687  -0.9751376047  -0.4253154318
H   -1.6600785895  -1.7801459955  -1.6432775557
H    2.4837367052  -2.7846276924   1.5690067176
H    1.5338761643  -1.4119670796   2.1231992284
H    3.1181702792  -2.6350650786  -1.0837994680
H    2.2490546305   0.7212122980   1.4249067206
H    4.3350059931  -1.1709455767  -2.6296998783
H    3.4793491803   2.1931894435  -0.1081868692
H   -1.9004075353  -4.2826639424  -1.8069039437
H   -1.0279112436   0.6691566609  -1.8165804831
H   -1.9767242172   3.7414771976   1.9302692838
H   -2.0619762321   2.8385676191  -2.2642808526
H   -3.6793643138  -4.9560634689   1.8636793325
*