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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 | -0.288 | |||
| 2 | C | -0.238 | |||
| 3 | C | -0.104 | |||
| 4 | O | -0.364 | |||
| 5 | C | 0.023 | |||
| 6 | C | -0.225 | |||
| 7 | H | 0.114 | |||
| 8 | H | 0.106 | |||
| 9 | H | 0.104 | |||
| 10 | H | 0.104 | |||
| 11 | H | 0.105 | |||
| 12 | H | 0.105 | |||
| 13 | H | 0.085 | |||
| 14 | H | 0.085 | |||
| 15 | H | 0.112 | |||
| 16 | H | 0.112 | |||
| 17 | H | 0.082 | |||
| 18 | H | 0.082 | |||
| Number | Element | Spin Density |
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