Match y (H2) (t=400 au)
Commits >
Commit c7ac96946c926bee5c46ca4221093c1f60753f5a >
Run spack_foss-2022a_ppc >
Input 11-dftbplus_ehrenfest.01-benzene.inp
| Value | Reference | Precision | Status |
| 2.434731949455767e+00 | 2.434725530000000e+00 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 25)