Match y (C2) (t=400 au)
Commits >
Commit dfb998a08bfe04488932b5e2d20d2b9995cc9a79 >
Run intel-2022b >
Input 11-dftbplus_ehrenfest.01-benzene.inp
| Value | Reference | Precision | Status |
| 1.362785690643745e+00 | 1.362777810000000e+00 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 7)