| Bond parameters | VA | |
| Neutral | Diradical | |
| C1-C2 | 1.406 | 1.478 |
| C2-C3 | 1.414 | 1.476 |
| C3-C4 | 1.389 | 1.367 |
| C4-C5 | 1.401 | 1.428 |
| C5-C6 | 1.379 | 1.363 |
| C6-C1 | 1.411 | 1.427 |
| C2-O1 | 1.362 | 1.236 |
| O1-H4 | 0.962 | - |
| C1-C7 | 1.477 | 1.384 |
| C7-H5 | 1.097 | 1.090 |
| C7-N1 | 1.280 | 1.339 |
| N1-C8 | 1.411 | 1.293 |
| C8-C9 | 1.411 | 1.516 |
| C9-C10 | 1.394 | 1.461 |