Match Ion-ion energy
Commits >
Commit 8520a932a983b5c1584256e5aef0dad9a7dbc2f2 >
Run intel-2022b >
Input 31-acetylene_b3lyp.01-gs.inp
| Value | Reference | Precision | Status |
| 1.315759358000000e+01 | 1.315759358000000e+01 | 6.579999999999999e-08 | PASS |
Command: GREPFIELD(static/info, 'Ion-ion =', 3)