! 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   -1.6204966156   1.9272840503   0.4100236622
O   -4.1233442550  -1.0350266019  -0.3361149831
O   -2.3723849379   1.9778124214   1.6421216996
O   -1.1340695411   3.1565982628  -0.1766190675
O   -1.2497998074  -0.9283886922   1.1594778715
O    3.7174830333   2.8599009639   0.6775459535
O    5.4982328554  -1.2473730403   1.8982282586
N   -2.5673964246   1.1025274398  -0.6452129639
N   -0.2377625632   1.0228040838   0.5768892715
N    1.0056077714  -0.8270338938   1.2181023817
N    2.3544323705   1.0396152843   0.9104738296
N    3.2464253071  -1.0486644580   1.5506833651
C   -3.1946664237  -3.1180625886  -0.8917039561
C   -4.4368405122  -3.9104555651  -0.5476325661
C   -3.4057721642  -3.7045952846   0.4881515937
C   -3.3116969827  -1.6546293185  -1.0138159126
C   -2.4133687157  -0.9404801208  -1.9571451344
C   -2.0538230330   0.4059043532  -1.7521080342
C   -1.9263511741  -1.5937866748  -3.0897271328
C   -1.1993629800   1.0394063243  -2.6465760594
C   -1.0897445585  -0.9553646877  -3.9873096753
C   -0.7159484139   0.3589970883  -3.7517988492
C   -0.2370188744  -0.2793653051   1.0032492764
C    2.2551319793  -0.2414135249   1.2220235333
C    3.5695556941   1.5767498062   0.9589321915
C    4.4540478171  -0.5013970905   1.5807322108
C    4.6894436683   0.8388019760   1.2968650611
C    2.5637586072   3.6331760789   0.3532221620
C    5.3031755957  -2.6273962391   2.1976018431
H   -2.4559194353  -3.6139032381  -1.5038516797
H   -5.3640175292  -3.3580948952  -0.4673469805
H   -4.5239543417  -4.8829617879  -1.0125180754
H   -2.7594241334  -4.5303019440   0.7524542547
H   -3.6099519745  -3.0081540562   1.2902844399
H   -2.2186046709  -2.6157857534  -3.2876367958
H   -0.9273236575   2.0751565066  -2.5005001981
H   -3.3320799851   0.6088806202  -0.1809363717
H   -0.7340296313  -1.4801562260  -4.8628166819
H   -0.0582993990   0.8701528532  -4.4415769184
H    0.9879123243  -1.8006600556   1.4917870230
H    5.6771400540   1.2735987522   1.3379348849
H    2.9253950056   4.6429290807   0.1816764542
H    1.8474881498   3.6511253932   1.1747909554
H    2.0814422440   3.2736603281  -0.5559833707
H    4.8998447187  -3.1713639498   1.3441675935
H    4.6480518643  -2.7654443769   3.0568703993
H    6.2892524171  -3.0168024219   2.4347220862
H    0.6746676880   1.4997427271   0.5177594599
*