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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 |
---|---|---|---|---|
CH2F2 | Methane, difluoro- | 108.9 | 108.9 | -0.0 |
CCD/cc-pV(T+d)Z for aHCF
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-0.0035 | -0.003 | -0.0025 | -0.002 | -0.0015 | -0.001 | -0.0005 | 0 | 0.0005 | 0.001 | 0.0015 | 0.002 | 0.0025 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | CH2F2 | Methane, difluoro- | -0.0 |
Most positive difference | CH2F2 | Methane, difluoro- | -0.0 |