! 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   4.3609089075   2.3157101780   0.5458555069
S    1.0205597351  -1.6090378734  -1.5316385645
O    1.4418024244  -2.9888482149  -1.5872748817
O    0.6541391869  -0.9292101537  -2.7520089776
O    1.8038204723   2.9133410595  -0.8935922438
O    0.1697323281   1.3977657354  -1.0476376553
O    0.7746031515  -2.3246268510   1.2821846088
O   -5.1120693949   0.6102924222   2.9621348270
O   -3.9342996290   0.7279045518  -1.5255455341
N    3.4429824983  -1.2038086591  -0.2679170135
N   -0.2833293034  -1.4616157535  -0.5302211915
N    4.2510809448  -0.2655841586   0.2000842488
N   -1.2672009612  -1.4073893190   1.5719027970
N   -3.1880599858  -0.4116436743   2.2693820075
N   -2.5922322372  -0.3420301231  -0.0130051476
C    2.2956930774  -0.6784550683  -0.7280490281
C    2.3667277887   0.6991423320  -0.5583772929
C    3.6254571256   0.8748950541   0.0304539061
C    3.8943004004  -2.5853288123  -0.1958204224
C    1.3266524166   1.6870867562  -0.8628277847
C   -0.1943905355  -1.7708036270   0.8029751012
C   -2.3996850163  -0.6858525460   1.2479065708
C   -4.2784568178   0.2884921418   1.9876244462
C   -3.6909575592   0.3579991132  -0.2804878356
C    0.8702214566   3.9706519451  -1.1287227903
C   -4.5971580112   0.7130634332   0.7033846880
C   -4.8058855819   0.2123550586   4.2968033493
C   -2.9964216353   0.3898472312  -2.5468002610
H   -1.0772510771  -0.8716224722  -0.8262090780
H    3.1809937553  -3.1924677957   0.3498771267
H    4.0553728155  -2.9936171285  -1.1882520443
H    4.8362470836  -2.5753923868   0.3398897659
H   -1.1739957700  -1.6428603582   2.5514367225
H    0.1107239609   4.0086219263  -0.3485976694
H    1.4504662475   4.8878442781  -1.1111218371
H    0.3898993377   3.8657711952  -2.1007845505
H   -5.4879599766   1.2844112889   0.4883629535
H   -3.8613264324   0.6353114743   4.6369573908
H   -4.7731580766  -0.8719387135   4.3968354192
H   -5.6128116404   0.6031932615   4.9101196862
H   -3.4186718383   0.7745193695  -3.4706141165
H   -2.8705594180  -0.6889522476  -2.6395686939
H   -2.0316376655   0.8653241148  -2.3748633416
*