Match molecule-solvent int. energy
Commits >
Commit 224605379ecf56495eac19edf712806ff1f57d89 >
Run foss-ppc: [foss2022a-serial] >
Input 29-pcm_chlorine_anion.04-ground_state-n240.inp
Value | Reference | Precision | Status |
-3.210811730000000e+00 | -3.210811730000000e+00 | 3.210000000000000e-14 | PASS |
Command: GREPFIELD(static/info, 'E_M-solvent =', 3)