! 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   4.3446892514   2.3137780332   0.5325630822
S    1.0196492350  -1.6307177992  -1.5357965095
O    1.4443105350  -3.0101109425  -1.5790903992
O    0.6491476605  -0.9607556484  -2.7604034208
O    1.7740623584   2.8991667911  -0.8718527852
O    0.1517525652   1.3729500540  -1.0472930819
O    0.7816547381  -2.3300968288   1.2818680937
O   -5.0484289698   0.7002150998   2.9843901877
O   -3.9422987504   0.7092743128  -1.5219777260
N    3.4518389238  -1.2079135821  -0.2984428404
N   -0.2823909634  -1.4796744842  -0.5326469220
N    4.2557949577  -0.2649848908   0.1677917145
N   -1.2531268684  -1.3980264592   1.5761130366
N   -3.1501815164  -0.3636962700   2.2825120607
N   -2.5907626279  -0.3504356675  -0.0103620323
C    2.2953685498  -0.6906044923  -0.7445268187
C    2.3553539096   0.6866064362  -0.5667794372
C    3.6177698159   0.8702744237   0.0116957518
C    3.9190629440  -2.5850423531  -0.2397792344
C    1.3063600149   1.6693303165  -0.8583974515
C   -0.1877697276  -1.7762423767   0.8040509496
C   -2.3825603949  -0.6700008915   1.2543327740
C   -4.2347309430   0.3468621373   2.0041841492
C   -3.6835111742   0.3603805719  -0.2739843184
C    0.8321776127   3.9546022378  -1.0834858324
C   -4.5682436426   0.7490191757   0.7166159046
C   -4.7306615757   0.3198814911   4.3216419475
C   -3.0279982199   0.3358034323  -2.5519107183
H   -1.0730952047  -0.8874572992  -0.8303065539
H    4.0686786060  -2.9874741500  -1.2365259426
H    4.8695005618  -2.5665136862   0.2806000714
H    3.2214457900  -3.2024264349   0.3149555295
H   -1.1511905215  -1.6191562661   2.5581280234
H    0.0682664471   3.9642601122  -0.3069320788
H    1.4046988003   4.8755828820  -1.0369014947
H    0.3588131795   3.8721734055  -2.0610178426
H   -5.4546865154   1.3279114336   0.5036135908
H   -3.7763042076   0.7357085626   4.6424963813
H   -4.7112804379  -0.7629429566   4.4391644940
H   -5.5244627737   0.7317567027   4.9383222718
H   -2.9123612163  -0.7460412500  -2.6184825449
H   -2.0559808538   0.8075469503  -2.4115587860
H   -3.4654030766   0.6995268239  -3.4772779107
*