Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B3PW91/6-31G
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1.90 | 1.95 | 2.00 | 2.05 | 2.10 | 2.15 | 2.20 | 2.25 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.067 | 0.083 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NaOH | sodium hydroxide | 1.910 |
Highest value | Na2CO3 | Sodium Carbonate | 2.158 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NaO- | sodium oxide anion | 1.996 | 1 | 2 |
NaO | sodium monoxide | 2.067 | 1 | 2 |
NaOH | sodium hydroxide | 1.910 | 1 | 2 |
Na2O | disodium monoxide | 1.978 | 1 | 2 |
1.978 | 1 | 3 | ||
NaO2 | Sodium superoxide | 2.148 | 1 | 2 |
2.148 | 1 | 3 | ||
NaOCH3 | Sodium methoxide | 1.928 | 1 | 2 |
Na2O2 | disodium dioxide | 2.075 | 1 | 3 |
2.075 | 1 | 4 | ||
2.075 | 2 | 3 | ||
2.075 | 2 | 4 | ||
Na2CO3 | Sodium Carbonate | 2.158 | 2 | 5 |
2.158 | 2 | 6 | ||
2.151 | 3 | 5 | ||
2.151 | 4 | 6 |