| Atom | Mulliken atomic charges | Bond | Bond order |
| Zn | 0.765 | Zn-Cl22 | 0.989 |
| Cl22 | −0.509 | Zn-Cl23 | 0.815 |
| Cl23 | −0.527 | Zn-N1(12) | 0.542 |
| N1(12) | −0.569 | S3(15)-C2(13) | 1.246 |
| N6(16) | −0.612 | S3(15)-C4(17) | 1.218 |
| S3(15) | 0.248 | C2(13)-N6(16) | 1.407 |
| C2(13) | 0.330 | N1(12)-C2(13) | 1.581 |
| C4(17) | −0.323 | N1(12)-C5(14) | 1.280 |
| C5(14) | 0.163 | C4(17)-C5(14) | 1.774 |