! 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   -1.6055424740  -1.4441211004   0.1032435440
O   -0.4980851043  -0.8134862518   1.1419020895
O   -1.5780837164  -2.8458187908   0.4442979288
O   -1.2688009368  -1.0094020802  -1.2295882607
N    1.9070957313   2.2759817533   0.1420705576
N   -0.2429749147   1.3324743839   0.3988059785
N   -3.0577435165  -0.8510434855   0.5328112288
N    0.0279760972   3.4967220482  -0.3379265213
C    2.2918743378  -1.3176006434   1.2641907998
C    2.2215605200  -2.3950703250   0.1766258282
C    1.6981067735   0.0044111459   0.8662639798
C    2.8765927910  -2.0090313450  -1.1416159236
C    2.4589986474   1.1391190669   0.5409778244
C    0.3341316746   0.2179205297   0.7659113681
C    2.7598412329  -3.1092095179  -2.1852969617
C    0.5742566149   2.3305948388   0.0660240735
C    3.9513053695   1.1190170580   0.6270889110
C   -1.3386200840   3.5971807471  -0.8080897169
C   -3.5337407031  -1.2166039217   1.8669644790
C   -3.3843360089   0.5231651003   0.1592784517
C   -1.5710473035   2.9427039677  -2.1598261784
H    1.7949704313  -1.6922844585   2.1617087596
H    3.3352133343  -1.1722943325   1.5478966896
H    1.1809054505  -2.6728737322  -0.0078652695
H    2.7010097941  -3.2973996668   0.5677749286
H    2.4178157682  -1.0949669108  -1.5298653777
H    3.9323921717  -1.7759585576  -0.9733497454
H    3.2379118033  -4.0308265589  -1.8483374296
H    1.7145977573  -3.3414214305  -2.3984509025
H    3.2294046006  -2.8203893760  -3.1262988251
H    4.3790703355   0.3367638460  -0.0006461786
H    4.2839868076   0.9242204359   1.6479517638
H    4.3638486674   2.0738205867   0.3114245051
H    0.6845277022   4.1538224276  -0.7287020476
H   -2.0038413958   3.1687510909  -0.0599218339
H   -1.5791658564   4.6579542023  -0.8624931960
H   -3.0412919583  -0.6421209836   2.6538285766
H   -3.4044050765  -2.2772465492   2.0565298531
H   -4.5996111630  -1.0042348178   1.9013107215
H   -3.0465880620   0.7466291900  -0.8466726271
H   -4.4685443949   0.6095326066   0.1745231911
H   -2.9620653700   1.2491014722   0.8528769120
H   -0.9570676899   3.4081753117  -2.9319916844
H   -2.6151162439   3.0479026949  -2.4573322762
H   -1.3347606951   1.8786085067  -2.1348620718
*