Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HSEh1PBE/cc-pVTZ
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.90 | 2.00 | 2.10 | 2.20 | 2.30 | 2.40 | 2.50 | 2.60 | 2.70 | 2.80 | 2.90 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.117 | 0.214 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NaOH | sodium hydroxide | 1.939 |
Highest value | NaO+ | sodium oxide cation | 2.793 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NaO- | sodium oxide anion | 1.996 | 1 | 2 |
NaO | sodium monoxide | 1.957 | 1 | 2 |
NaO+ | sodium oxide cation | 2.793 | 1 | 2 |
NaOH | sodium hydroxide | 1.939 | 1 | 2 |
Na2O | disodium monoxide | 1.992 | 1 | 2 |
1.992 | 1 | 3 | ||
NaO2 | Sodium superoxide | 2.137 | 1 | 2 |
2.137 | 1 | 3 | ||
NaOCH3 | Sodium methoxide | 1.956 | 1 | 2 |
Na2CO3 | Sodium Carbonate | 2.169 | 2 | 5 |
2.140 | 3 | 5 | ||
2.169 | 2 | 6 | ||
2.140 | 4 | 6 |