! 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
S    1.4143812605  -2.4097388927   0.1848474465
O    1.7851938096  -3.5919866424  -0.5627599898
O    0.9735359515  -2.5417967379   1.5630539532
O    1.8910339968   0.3793110844   3.0651680467
O    0.5790797921   0.6166873096   1.2699942711
O   -3.9722166480   2.9533123324  -1.4924037025
O    1.2301664342  -1.2573649130  -2.5266277754
N    0.1429444523  -1.6560346992  -0.5727298687
N   -0.6948748825  -0.1456532388  -2.1235158350
N   -2.0118678650  -0.2281831273  -0.2175985102
N   -2.3242342634   1.4238027681  -1.8628185543
N   -3.6445029212   1.4504440654   0.0976069335
N   -3.2466756169  -0.1322325124   1.7006614224
C    2.7752420047  -1.2705257289   0.1405798007
C    2.8055038764  -0.1629268551   0.9903959420
C    3.8607598803  -1.5896662731  -0.6587416865
C    3.9538746907   0.6151316702   1.0275871241
C    4.9923127002  -0.7885198275  -0.6251312720
C    5.0392910504   0.3074982334   0.2189062946
C    1.6238777852   0.2981146369   1.7781631149
C    0.2932893933  -1.0432656420  -1.7862967923
C   -1.7162070640   0.3619991388  -1.3560976378
C   -2.9645019255   0.3765128243   0.5084791079
C   -3.2869141390   1.9054692618  -1.0864125640
C   -3.6594039156   3.5655527872  -2.7537973498
C    0.8598318036   0.8981708887   3.9125989392
C   -4.6034948870   4.7254229417  -2.9379332676
C   -2.5697038977  -1.2733748414   2.2681163706
H    3.8387625726  -2.4583397584  -1.2999049354
H   -0.6458934427  -1.3276916326   0.0122324974
H    3.9996791922   1.4789147233   1.6769537775
H    5.8371350655  -1.0318212504  -1.2537319898
H    5.9230368909   0.9291629471   0.2549178522
H   -2.6224781470   3.9045677457  -2.7512513282
H   -3.7757350398   2.8374218549  -3.5576123313
H   -3.9697906908   0.3213610661   2.2338134911
H    0.6162043796   1.9269027354   3.6511733285
H   -0.0399995936   0.2859883905   3.8608131745
H    1.2596843371   0.8647608897   4.9206964681
H   -5.6432623242   4.3994784397  -2.9651196329
H   -4.4900917668   5.4680707387  -2.1481078702
H   -4.3827603638   5.2131871375  -3.8868735848
H   -2.9656961324  -1.4389087969   3.2651122388
H   -1.4969420277  -1.1042287382   2.3563052618
H   -2.7328615554  -2.1788727590   1.6839209681
H   -0.5484163254   0.3206063703  -3.0094524125
*