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*
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0.74 | 0.75 | 0.76 | ||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
0.744 | 0.000 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | H2 | Hydrogen diatomic | 0.744 |
Highest value | H2 | Hydrogen diatomic | 0.744 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
H2 | Hydrogen diatomic | 0.744 | 1 | 2 |
D2 | Deuterium diatomic | 0.744 | 1 | 2 |
HD | Deuterium hydride | 0.744 | 1 | 2 |