Table 12. Mean Absolute Errors in Calculated Atomization Enthalpies at 298 K (kcal/mol) for the C7H10O2 Benchmark Set.
| method |
|||||||||
|---|---|---|---|---|---|---|---|---|---|
| subset | N | MNDO | AM1 | PM3 | PM6 | PM7 | OM1 | OM2 | OM3 |
| overall | 6095 | 9.27 | 13.43 | 7.92 | 7.26 | 6.44 | 8.92 | 6.30 | 7.67 |
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