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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
You are here: Home > Geometry > Experimental > Same bond/angle many molecules OR Comparisons > Geometry > Bonds, angles > Same bond/angle many molecules |
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-0.900 | -0.800 | -0.700 | -0.600 | -0.500 | -0.400 | -0.300 | -0.200 | -0.100 | 0.000 | 0.100 | 0.200 | 0.300 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | H2ONH3 | Water Ammonia Dimer | -0.830 |
Most positive difference | NH3 | Ammonia | -0.014 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
H2ONH3 | Water Ammonia Dimer | 2.983 | -0.830 |
NH3 | Ammonia | 1.012 | -0.014 |