Match y (H4) (t=400 au)
Commits >
Commit dfb998a08bfe04488932b5e2d20d2b9995cc9a79 >
Run intel-2022b >
Input 11-dftbplus_ehrenfest.01-benzene.inp
| Value | Reference | Precision | Status |
| -7.454904847664402e-01 | -7.454872700000000e-01 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 31)