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The symmetry group, length of molecule and total energy of the benzimidazoles
| Compound | Symmetry | Length (Å) | Etot (Ha) |
|---|---|---|---|
| B | C1 | 8.935 | − 533.628 |
| M-1 | C1 | 11.139 | − 878.897 |
| M-2 | C1 | 10.823 | − 610.780 |
| M-3 | C1 | 12.233 | − 1090.231 |
| M-4 | C1 | 13.117 | − 1063.781 |
| M-5 | C1 | 13.362 | − 1047.842 |
