! 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  -1.9164464346   0.3177998329   3.1183834442
Cl   6.8114105843   0.0449031530  -3.1220069213
Cl  -5.4928459747   2.8734374554   0.0465504035
S    1.6391012271  -1.5608217820   1.1338854627
N   -2.0934170920  -2.0078392257   0.0464641947
N   -0.2492194340   0.2169807481   0.6067219992
N   -1.9474568822  -1.9412378271  -1.2791786922
N   -4.1003990193  -1.6667343623  -0.7041225987
C   -0.9584275173  -2.1641728054   0.9092304476
C    2.6198091738  -0.0294202941   1.1794636317
C    0.0063578538  -0.9986301034   0.8320401556
C    3.6629294767  -0.0143702743   0.1049798918
C    3.3012643026   0.0562467817  -1.2384921662
C    5.0121053654  -0.0680625997   0.4320946370
C   -1.5183068365   0.7654655607   0.4770693052
C    4.2618883025   0.0769350368  -2.2346003799
C    5.9894504508  -0.0478129235  -0.5538679414
C   -3.3758233459  -1.8311341393   0.3722886179
C   -2.3734391191   0.9361560139   1.5681830963
C   -1.9258000580   1.2906003530  -0.7488299476
C    5.6031263111   0.0234514925  -1.8806734851
C   -3.5921396251   1.5831764521   1.4489662026
C   -3.1440135113   1.9272048322  -0.8925570921
C   -3.9696251871   2.0700973641   0.2108653615
C   -3.1734281908  -1.7301133263  -1.6799552684
H   -0.4451477212  -3.0931261451   0.6565985753
H   -1.3100500180  -2.2712228284   1.9362552039
H    3.0701798135   0.0425230610   2.1680347509
H    1.9161347166   0.7965694274   1.0687432689
H    2.2554975529   0.0958161079  -1.5180553649
H    5.3149499797  -0.1250760404   1.4700817672
H    3.9677859741   0.1337946843  -3.2735563995
H    7.0354377978  -0.0895293093  -0.2828624938
H   -3.7320711752  -1.8573849047   1.3902256991
H   -1.2714821043   1.1919170380  -1.6039288667
H   -4.2348753537   1.6950311047   2.3110778452
H   -3.4396724949   2.3115592438  -1.8586197918
H   -3.4143768842  -1.6281954261  -2.7261274468
*