Match y (H6) (t=400 au)
Commits >
Commit 1f10c93c74388b17aea6526c581521be8cd6aa14 >
Run spack_foss-2023a_serial_opt >
Input 11-dftbplus_ehrenfest.01-benzene.inp
| Value | Reference | Precision | Status |
| -1.689233766770245e+00 | -1.689228270000000e+00 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 37)