Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP4=FULL/3-21G
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
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1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.90 | 1.95 | 2.00 | 2.05 | 2.10 | 2.15 | 2.20 | 2.25 | 2.30 | 2.35 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.129 | 0.100 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NaOCH3 | Sodium methoxide | 1.908 |
Highest value | Na2O | disodium monoxide | 2.279 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NaO | sodium monoxide | 2.053 | 1 | 2 |
Na2O | disodium monoxide | 2.279 | 1 | 2 |
2.279 | 1 | 3 | ||
NaO2 | Sodium superoxide | 2.119 | 1 | 2 |
2.119 | 1 | 3 | ||
NaOCH3 | Sodium methoxide | 1.908 | 1 | 2 |
Na2CO3 | Sodium Carbonate | 2.128 | 2 | 5 |
2.137 | 3 | 5 | ||
2.128 | 2 | 6 | ||
2.137 | 4 | 6 |