Match Eigenvalue 1
Commits >
Commit fa579c158b779976d5f0fa5d04f6d011c21f022f >
Run spack_foss-2022a_serial_min >
Input 31-acetylene_b3lyp.01-gs.inp
| Value | Reference | Precision | Status |
| -7.571610000000000e-01 | -7.571610000000000e-01 | 3.790000000000000e-05 | PASS |
Command: GREPFIELD(static/info, ' 1 --', 3)