Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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You are here: Home > Geometry > Experimental > Same bond/angle many molecules OR Comparisons > Geometry > Bonds, angles > Same bond/angle many molecules |
Species | Name | Experimental Angle | Calculated Angle | Difference |
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BH3CO | Borane carbonyl | 114.5 | 113.8 | 0.7 |
BH2 | boron dihydride | 131.0 | 128.0 | 3.0 |
BH2NH2 | Boranamine | 122.2 | 121.9 | 0.3 |
B4H10 | Tetraborane(10) | 122.7 | 118.5 | 4.2 |
B4H10 | Tetraborane(10) | 143.7 | 138.8 | 4.9 |
B4H10 | Tetraborane(10) | 108.7 | 111.3 | -2.6 |
B4H10 | Tetraborane(10) | 97.0 | 93.0 | 4.0 |
BH3PH3 | borane phosphine | 114.6 | 114.6 | 0.0 |
B2H6 | Diborane | 121.0 | 121.8 | -0.8 |
B2H6 | Diborane | 96.2 | 96.2 | -0.0 |
B2H6 | Diborane | 109.2 | 109.0 | 0.2 |