Atom | Partial charge | Frontier electron density | Atom | Partial charge | Frontier electron density |
---|---|---|---|---|---|
1P | 2.346671 | 0.61767309 | 7N | −0.755026 | 0.05074912 |
2S | −0.764807 | 0.28262232 | 8N | −0.527338 | 0.00675071 |
3S | −0.519851 | 0.82272659 | 9C | 1.139560 | 0.01041556 |
4O | −1.227905 | 0.15750226 | 0S | −0.182921 | 0.00631317 |
5O | −1.199251 | 0.11248018 | 1C | 1.366795 | 0.02819456 |
6C | 0.626992 | 0.00669293 | 2O | −0.974324 | 0.02423551 |
7C | 0.571323 | 0.0022927 | 3O | −1.053448 | 0.00168228 |
14C | 0.658733 | 0.95032112 | 4C | 0.568562 | 2.5873E-05 |