Match y (H6) (t=400 au)
Commits >
Commit 567670ad21bfa0dcf9eec7f6790e7f8f129ccb1e >
Run foss-2022a_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)