Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
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0 | ||||||||||||||||||||||||||||||||||||||||
-0.004 | -0.002 | 0.000 | 0.002 | 0.004 | 0.006 | 0.008 | 0.010 | 0.012 | 0.014 | 0.016 | 0.018 | 0.020 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | NH2F | monofluoroamine | -0.003 |
Most positive difference | NF3 | Nitrogen trifluoride | 0.013 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
NH2F | monofluoroamine | 1.433 | -0.003 |
NHF2 | difluoramine | 1.400 | -0.001 |
FNO | Nitrosyl fluoride | 1.512 | 0.011 |
NF3 | Nitrogen trifluoride | 1.365 | 0.013 |