Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP4/6-311G**
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.80 | 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 |
---|---|
2.104 | 0.122 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NaO- | sodium oxide anion | 1.827 |
Highest value | Na2CO3 | Sodium Carbonate | 2.189 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NaO- | sodium oxide anion | 1.827 | 1 | 2 |
NaO | sodium monoxide | 2.070 | 1 | 2 |
NaO2 | Sodium superoxide | 2.178 | 1 | 2 |
2.178 | 1 | 3 | ||
NaOCH3 | Sodium methoxide | 1.960 | 1 | 2 |
Na2CO3 | Sodium Carbonate | 2.189 | 2 | 5 |
2.172 | 3 | 5 | ||
2.189 | 2 | 6 | ||
2.172 | 4 | 6 |