! 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   -2.5123053751   0.8078349365  -1.0801659593
O    4.6036579950  -0.2714997928  -0.9686312383
O   -3.0226292717   0.5797761283  -2.4142513174
O   -3.0563495536   1.8834815879  -0.2722051427
O    1.1870039128   2.6497375132  -0.2225104463
O   -0.2717862283  -0.8570698836  -2.0131259421
O   -2.5822278522   0.7385748616   3.0123739630
O   -0.7820371656   0.9118245922   1.6973037231
N    3.1419110286   1.4116767598  -0.4355175067
N    1.3353777852   0.5326427554  -1.2107234267
N   -0.8825703139   1.1681591009  -1.1863395590
N    2.3308345738  -0.3859024969  -1.4558608175
C   -2.6349585364  -0.7071935984  -0.1663479497
C    3.3807097967   0.1794715818  -0.9776602100
C   -2.4277631164  -0.7339147358   1.2150254415
C    1.8106550760   1.6647105803  -0.5714240649
C    0.0254449148   0.1992057628  -1.5146052001
C    4.8262092261  -1.6409026555  -1.3749760362
C   -3.0818590667  -1.8290771499  -0.8454392173
C    4.3967365648  -2.6333142840  -0.3161925162
C    4.1109681172   2.2834111595   0.1937346762
C   -2.6811842097  -1.9135590248   1.9007241365
C   -3.3109990915  -3.0045708959  -0.1463219263
C   -3.1131035362  -3.0451259817   1.2226732313
C   -1.8411541970   0.4078558380   1.9768052384
C    5.0481048131  -2.4014724960   1.0381113245
C   -2.0740263098   1.7593055176   3.8821443623
H   -0.5704480547   1.9864693581  -0.6589031557
H    5.9007555182  -1.6915893886  -1.5397345908
H    4.3268191059  -1.8243460719  -2.3274949524
H   -3.2590368339  -1.7998864525  -1.9101357651
H    3.3096096424  -2.6426198331  -0.2189733767
H    4.6747661427  -3.6184133057  -0.6991383775
H    4.5521486256   1.8002847802   1.0621027421
H    4.8921086658   2.5573310959  -0.5103608044
H    3.6031925656   3.1860116604   0.5185642562
H   -2.5241429220  -1.9609757579   2.9695297065
H   -3.6508935855  -3.8820806088  -0.6776833387
H   -3.2957181780  -3.9581752807   1.7718309246
H    6.1366597616  -2.3902930858   0.9612314378
H    4.7363392160  -1.4575608994   1.4867648886
H    4.7756171246  -3.1933971875   1.7354715096
H   -2.8245767181   1.8885490286   4.6551935771
H   -1.9366239588   2.6986541755   3.3481019604
H   -1.1322337148   1.4542147225   4.3367767120
*