! 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  -6.5893788631  -1.8965799792  -0.2597133707
S    1.2355212776   0.7793076189   0.1699225314
O    3.9013068715   2.0220213470   0.5348585480
O    1.3054860317   1.4322382496   1.4629659324
O    1.2430341952   1.5682879850  -1.0466512708
O    4.5977910104   1.1142679302   2.4617659434
O    0.0821846972  -1.2464357517   1.9986099615
O   -3.3391067709   0.9431461462  -2.7784871432
N   -0.1827413287  -0.0810562086   0.0675580960
N   -1.9204122867  -1.3399816347   0.9629306683
N   -2.6075860074  -0.1885838202  -0.9369785223
N   -4.0892629684  -1.5406276555   0.3044622569
C    2.4888317600  -0.4811762371   0.1080709698
C    3.7160412790  -0.2744987374   0.7407181610
C    2.2129659820  -1.6764312742  -0.5362177414
C    4.6428002130  -1.3071956813   0.7577205957
C    3.1639480445  -2.6862526466  -0.5388254275
C    4.3709371335  -2.5068316879   0.1165998797
C    4.1088592929   1.0218959867   1.3634422422
C   -0.6224854028  -0.9006314058   1.0751625713
C    4.0897119707   3.3665141170   1.0193872450
C   -2.9071319859  -1.0013703171   0.0659608675
C    3.6243526342   4.3085355271  -0.0598119225
C   -3.5805126661   0.1310960318  -1.7737367883
C   -4.8748002271  -0.3722280237  -1.6245508456
C   -5.0399378436  -1.2103632741  -0.5499944980
C   -2.0248527290   1.4834486648  -2.9317680201
H    1.2624863075  -1.8433520515  -1.0240117204
H    5.5933837937  -1.1641539396   1.2537226987
H   -0.8526540925   0.1743539258  -0.6705701389
H    2.9473205326  -3.6173440939  -1.0432951991
H    5.1070683991  -3.2985083124   0.1285173583
H   -2.2097305471  -1.9646680561   1.7047191389
H    5.1444971755   3.5196666209   1.2524152419
H    3.5137614855   3.5037527434   1.9361780711
H    3.7593378668   5.3334719989   0.2840268853
H    4.1990491594   4.1864226164  -0.9780971158
H    2.5679253833   4.1673070766  -0.2872666383
H   -5.6723411245  -0.1157980056  -2.3052296505
H   -1.2895177855   0.6986877855  -3.1086492227
H   -1.7377482377   2.0821238715  -2.0676513058
H   -2.0727033201   2.1261716209  -3.8055510307
*