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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
| You are here: Calculated > Electrostatics > Charges > Mulliken | |
| Charge (e) | |||||
|---|---|---|---|---|---|
| Number | Element | Mulliken | chelpg | AIM | ESP |
| 1 | C | -0.487 | |||
| 2 | C | -0.309 | |||
| 3 | C | -0.230 | |||
| 4 | O | -0.471 | |||
| 5 | C | -0.036 | |||
| 6 | C | -0.312 | |||
| 7 | H | 0.174 | |||
| 8 | H | 0.162 | |||
| 9 | H | 0.162 | |||
| 10 | H | 0.162 | |||
| 11 | H | 0.154 | |||
| 12 | H | 0.154 | |||
| 13 | H | 0.141 | |||
| 14 | H | 0.141 | |||
| 15 | H | 0.166 | |||
| 16 | H | 0.166 | |||
| 17 | H | 0.131 | |||
| 18 | H | 0.131 | |||
| Number | Element | Spin Density |
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