! 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 4
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl  -4.9393279365  -0.5669718569  -1.6732580986
S   -2.0009852096  -1.4536647182   0.1380986823
O   -2.7540346393  -2.4310314142  -0.6106132456
O   -1.8680907628  -1.5873330811   1.5747766661
O   -0.9101195896  -0.8234369229  -2.5415957738
O    2.9777873299  -1.9041719885   2.2548623336
O    5.7118832884  -0.2473917932  -1.1107740602
N   -2.1058857745   1.2845404909   0.1334955942
N   -0.9569659608   1.4330196969   0.7821603287
N   -3.9763028052   1.7795983401  -0.9627525098
N   -0.4358625977  -1.3902159899  -0.3941259209
N    1.2507144040  -0.8172113948  -1.8770610581
N    2.1004687110  -1.3875509836   0.2091186890
N    3.4781090730  -0.5337026664  -1.5046114323
C   -2.6615858859   0.0941680762  -0.2615677650
C   -0.6000987318   2.6624856050   1.0280167663
C    0.6867085361   2.8972871317   1.7560755007
C   -2.9311952216   2.2764365871  -0.3122763027
C    1.7050832831   1.7702642414   1.6839002989
C   -1.3908417819   3.7822786993   0.6397918777
C   -2.5557032069   3.5990681674  -0.0318809762
C   -3.8095261068   0.4610928614  -0.9384344790
C    2.9881890671   2.1348594067   2.4133874234
C   -0.0931976285  -1.0061392439  -1.6636207260
C    2.3179384782  -0.9200041583  -1.0081447385
C    3.1500521703  -1.4598049115   1.0215119421
C    4.5178049894  -0.6206390678  -0.6855365966
C    4.4202478219  -1.0869596708   0.6206664816
C    1.6671846066  -2.2722730863   2.6800107605
C    5.8483217258   0.2691308032  -2.4331267665
H    1.1281521565   3.8176005966   1.3650206098
H    0.4416642186   3.1144082119   2.8015654967
H    1.9265334047   1.5526212139   0.6360982957
H    1.2825153066   0.8588133694   2.1095665042
H   -1.0420181461   4.7762789164   0.8807656960
H   -3.1812936082   4.4179947724  -0.3555665797
H    3.7186213215   1.3269137810   2.3566288501
H    3.4505010357   3.0248003937   1.9828548837
H    2.8027936356   2.3374727014   3.4695366011
H    1.4827426563  -0.4954722068  -2.8075997299
H    5.2744487261  -1.1457503315   1.2787811302
H    1.2578826051  -3.0825565864   2.0767589876
H    0.9852978853  -1.4208583184   2.6693868189
H    1.7757725766  -2.6160590247   3.7045564745
H    5.5708034509  -0.4685430839  -3.1849812409
H    6.9010283981   0.5129780312  -2.5437735681
H    5.2548913906   1.1715367657  -2.5750814650
H    0.3242878373  -1.4667492605   0.2983583492
*