Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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Bond type | Species | Name | Angle | Comment |
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aCC#C | C2H3CCH | 1-Buten-3-yne | 177.90 | |
aCC#C | CH2ClCCCl | 1,3-dichloropropyne | 182.70 | |
Average | 180.30 | ±3.39 | ||
Min | 177.90 | |||
Max | 182.70 |