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 |
---|---|---|---|---|
H2Se | Hydrogen selenide | 90.9 | 90.9 | -0.0 |
B97D3/aug-cc-pVTZ for aHSeH
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.016 | -0.014 | -0.012 | -0.01 | -0.008 | -0.006 | -0.004 | -0.002 | 0 | 0.002 | 0.004 | 0.006 | 0.008 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | H2Se | Hydrogen selenide | -0.0 |
Most positive difference | H2Se | Hydrogen selenide | -0.0 |