| Molecules | ∆G2980(react) | ∆H2980(react) | ∆E(react) |
| 1a | −644 | −670 | −669 |
| 1b | −635 | −661 | −660 |
| 1c | −674 | −700 | −698 |
| 1d | −626 | −651 | −649 |
| 2a | −644 | −671 | −669 |
| 2b | −635 | −662 | −660 |
| 2c | −675 | −702 | −700 |
| 2d | −626 | −653 | −651 |
| 3a | −636 | −664 | −662 |
| 3b | −628 | −655 | −654 |
| 3c | −667 | −695 | −693 |
| 3d | −634 | −660 | −658 |
| 4a | −660 | −686 | −684 |
| 4b | −643 | −669 | −668 |
| 4c | −680 | −706 | −705 |
| 4d | −631 | −656 | −654 |