Match molecule-solvent int. energy
Commits >
Commit 467aee6bb6aa6bf5b31aed5cccd88bd7f10f5124 >
Run intel-2022a >
Input 29-pcm_chlorine_anion.04-ground_state-n240.inp
Value | Reference | Precision | Status |
-3.210196400000000e+00 | -3.210196400000000e+00 | 1.610000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'E_M-solvent =', 3)