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f0f4d062-5d5d-45bc-aa38-021828ccfc7e/main

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* xyz  -1 2
  C      11.749001     10.834662      9.855707
  C      10.480477     11.213691      9.514388
  S       9.340647     10.309169     10.317908
  C      10.473986      9.403360     11.129074
  C      11.745299      9.780424     10.796077
  H      12.641061     11.290838      9.450909
  H      10.194209     11.988999      8.821817
  H      10.181502      8.628585     11.819672
  H      12.634118      9.322672     11.206148
* 

%pal
 nprocs 4
end

 

! OPT DFT  PBE0 RIJK cc-pVTZ