! 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  -5.5560092019  -0.6609631457  -2.2550643130
S    1.5779703383  -0.6638670057   1.9148184230
O    2.6113912911   2.2463220802  -0.7680432396
O    1.8878400015  -1.6203500896   2.9557554358
O    1.6321852243   0.7567050455   2.2092048768
O    0.6983210574   1.0870863287  -0.6784897550
O    0.3092943988  -3.0925031568   0.8308478163
O   -2.8476517134   2.3383560104   0.6814798254
N    0.0161074792  -0.9136133125   1.3990342274
N   -1.5819157618  -2.0630528328   0.1603559654
N   -2.2083903200   0.1570433361   0.4582619486
N   -3.4350030856  -1.3109980975  -0.9225376334
C    2.6218561039  -0.9982593643   0.5193285228
C    2.7698603399  -0.0612171019  -0.5067062234
C    3.3785609681  -2.1587334935   0.5424349478
C    3.6999711510  -0.3109716192  -1.5056457278
C    4.2850501223  -2.4037692635  -0.4787264829
C    4.4474361185  -1.4806066990  -1.4968141384
C    1.9024982560   1.1462988546  -0.6405680404
C   -0.3674362605  -2.0858818581   0.8049785401
C    1.9013024526   3.4858011511  -0.9778260861
C   -2.4373688511  -1.0186920277  -0.1065858116
C    2.9242800194   4.5763619282  -1.1521750421
C   -3.0327351078   1.1461009964   0.1594623402
C   -4.1191997713   0.9649940844  -0.6995404363
C   -4.2494256519  -0.3088717776  -1.1936657685
C   -1.7414461788   2.5495203230   1.5613935356
H    3.2788256927  -2.8706617477   1.3480845917
H    3.8335285402   0.4003877347  -2.3091866288
H   -0.5683630011  -0.0852301255   1.2270239173
H    4.8677367524  -3.3138899143  -0.4661166738
H    5.1596300496  -1.6634843943  -2.2894180871
H   -1.8298367957  -2.9411853790  -0.2769322029
H    1.2629307464   3.6808792416  -0.1147745057
H    1.2665876447   3.3949996831  -1.8596010334
H    3.5530712451   4.4035073215  -2.0248980686
H    2.4065984626   5.5237275149  -1.2975121201
H    3.5614633544   4.6773831980  -0.2743771631
H   -4.7967553769   1.7681327077  -0.9445541297
H   -1.8248466976   3.5801748974   1.8932152906
H   -0.7938798205   2.4187691259   1.0398235414
H   -1.7868881056   1.8908653904   2.4281650041
*