Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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-0.040 | -0.035 | -0.030 | -0.025 | -0.020 | -0.015 | -0.010 | -0.005 | 0.000 | 0.005 | 0.010 | 0.015 | 0.020 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | CH3CSNH2 | Ethanethioamide | -0.040 |
Most positive difference | HNCS | Isothiocyanic acid | 0.020 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
CH3CSNH2 | Ethanethioamide | 1.050 | -0.040 |
NH4+ | ammonium cation | 1.029 | 0.000 |
LiNH2 | lithium amide | 1.022 | 0.000 |
NHF2 | difluoramine | 1.026 | 0.004 |
CHSNH2 | thioformamide | 1.006 | 0.007 |
CHSNH2 | thioformamide | 1.001 | 0.009 |
NHCl2 | dichloroamine | 1.014 | 0.013 |
NH2SH | Thiohydroxylamine | 1.008 | 0.013 |
HNCS | Isothiocyanic acid | 0.993 | 0.020 |