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Conformational energetics of ethane’s atoms. Method: 2PDM-M/CCSD(T)/uncontracted 6–31 + G(d, p). Grid is (15,15). Units: kJ/mol
| atom | Minimum | Optimised eclipsed | Rigid rotation eclipsed |
|---|---|---|---|
| C1 | 87.2 | 87.4 | 87.1 |
| C2 | 87.2 | 87.4 | 87.1 |
| H3 | 29.9 | 29.8 | 29.8 |
| H4 | 29.9 | 29.8 | 29.8 |
| H5 | 29.9 | 29.8 | 29.8 |
| H6 | 29.9 | 29.8 | 29.8 |
| H7 | 29.9 | 29.8 | 29.8 |
| H8 | 29.9 | 29.8 | 29.8 |
