Match electronic pol. charge
Commits >
Commit 567670ad21bfa0dcf9eec7f6790e7f8f129ccb1e >
Run eb_foss-2022a_debug >
Input 29-pcm_chlorine_anion.01-ground_state-n60.inp
Value | Reference | Precision | Status |
-7.842010250000000e+00 | -7.842010250000000e+00 | 3.920000000000000e-07 | PASS |
Command: GREPFIELD(pcm/pcm_info.out, ' 9 ', 7)