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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 |
Species | Name | Experimental Angle | Calculated Angle | Difference |
---|---|---|---|---|
GeH2 | germylene | 91.2 | 91.8 | -0.6 |
MP2=FULL/cc-pVQZ for aHGeH
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-0.6 | -0.55 | -0.5 | -0.45 | -0.4 | -0.35 | -0.3 | -0.25 | -0.2 | -0.15 | -0.1 | -4.99999999999999E-02 | 1.11022302462516E-16 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | GeH2 | germylene | -0.6 |
Most positive difference | GeH2 | germylene | -0.6 |