| Compound No. | Lumo | Homo | Lumo-Homo | Hardness | Hf kcal/mol |
| 1 | −0.04604 | −0.34227 | 0.29623 | 0.148115 | −134.037 |
| 2 | −0.04247 | −0.33717 | 0.29470 | 0.147350 | −90.6825 |
| 3 | −0.04198 | −0.33679 | 0.29481 | 0.147405 | −125.751 |
| 4 | −0.04377 | −0.33874 | 0.29497 | 0.147485 | −163.745 |
| 5 | −0.04559 | −0.34209 | 0.29650 | 0.148250 | −208.489 |
| 6 | −0.04221 | −0.33773 | 0.29552 | 0.147760 | −159.117 |
| 7 | −0.04333 | −0.33785 | 0.29452 | 0.147260 | −166.572 |
| 8 | −0.04819 | −0.34521 | 0.29702 | 0.148510 | −153.122 |
| 9 | −0.04217 | −0.33766 | 0.29549 | 0.147745 | −155.617 |
| 10 | −0.04205 | −0.33745 | 0.29540 | 0.147700 | −150.352 |
| 11 | −0.03027 | −0.32958 | 0.29931 | 0.149655 | −8.83272 |
| 12 | −0.02941 | −0.32823 | 0.29882 | 0.149410 | −15.6560 |
| 13 | −0.02938 | −0.32712 | 0.29774 | 0.148870 | −42.8924 |
| 14 | −0.03430 | −0.33500 | 0.30070 | 0.150350 | −13.4327 |
| 15 | −0.04058 | −0.33698 | 0.29640 | 0.148200 | −160.789 |
| 16 | −0.04315 | −0.34082 | 0.29767 | 0.148835 | −167.172 |