Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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Species | Name | Experimental Angle | Calculated Angle | Difference |
---|---|---|---|---|
NH2CONH2 | Urea | 118.6 | 114.5 | 4.1 |
C6H5NH2 | aniline | 113.9 | 110.7 | 3.2 |
CH3NH2 | methyl amine | 105.8 | 106.2 | -0.4 |
CHONH2 | formamide | 121.6 | 119.0 | 2.6 |
CHSNH2 | thioformamide | 121.7 | 118.7 | 3.0 |
N2H4 | Hydrazine | 106.0 | 108.1 | -2.1 |
NH2CN | cyanamide | 112.7 | 113.2 | -0.4 |
NH3 | Ammonia | 106.7 | 106.4 | 0.3 |
LiNH2 | lithium amide | 106.9 | 105.1 | 1.8 |
NH2OH | hydroxylamine | 103.3 | 105.4 | -2.1 |
NH2 | Amino radical | 103.4 | 102.8 | 0.6 |
NH2SH | Thiohydroxylamine | 110.2 | 109.3 | 0.9 |
NH2SH | Thiohydroxylamine | 111.6 | 109.3 | 2.3 |
BH2NH2 | Boranamine | 114.2 | 113.6 | 0.6 |
NH2F | monofluoroamine | 106.3 | 106.3 | -0.0 |