| Atomic charges | ||||||
| metal | aNPA | bMK | cCHelpG | dCHelp | HLYGAt | NBO |
| CrIII | 1.203 | 1.502 | 1.559 | 1.600 | 1.503 | 1.203 |
| CrVI | 0.954 | 1.128 | 1.178 | 1.232 | 1.232 | 0.955 |