Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2/cc-pVDZ
6 | ||||||||||||||||||||||||||||
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.85 | 1.90 | 1.95 | 2.00 | 2.05 | 2.10 | 2.15 | 2.20 | 2.25 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.082 | 0.100 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NaO- | sodium oxide anion | 1.891 |
Highest value | Na2CO3 | Sodium Carbonate | 2.192 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NaO- | sodium oxide anion | 1.891 | 1 | 2 |
NaO | sodium monoxide | 1.952 | 1 | 2 |
NaOH | sodium hydroxide | 1.932 | 1 | 2 |
Na2O | disodium monoxide | 2.032 | 1 | 2 |
2.032 | 1 | 3 | ||
NaO2 | Sodium superoxide | 2.179 | 1 | 2 |
2.179 | 1 | 3 | ||
NaOCH3 | Sodium methoxide | 1.960 | 1 | 2 |
Na2O2 | disodium dioxide | 2.107 | 1 | 3 |
2.107 | 1 | 4 | ||
2.107 | 2 | 4 | ||
2.107 | 2 | 3 | ||
Na2CO3 | Sodium Carbonate | 2.192 | 2 | 5 |
2.192 | 2 | 6 | ||
2.176 | 3 | 5 | ||
2.176 | 4 | 6 |