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 |
---|---|
C2H5N | Aziridine |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rNH | 1.016 | 1998Kuc | 1 | 2 | |||
rCN | 1.475 | 1998Kuc | 1 | 3 | |||
rCC | 1.481 | 1998Kuc | 3 | 4 | |||
rCH | 1.084 | 1998Kuc | on H side | 3 | 6 | ||
rCH | 1.083 | 1998Kuc | on side away from NH | 3 | 5 | ||
aCNC | 60.3 | 1998Kuc | 3 | 1 | 4 | ||
aHNC | 109.3 | 1998Kuc | 2 | 1 | 3 | ||
aHCH | 115.7 | 1998Kuc | 5 | 3 | 6 | ||
aHCC | 117.8 | 1998Kuc | H on NH side | 4 | 3 | 6 | |
aHCN | 118.3 | 1998Kuc | H on NH side | 1 | 3 | 6 | |
aHCC | 119.3 | 1998Kuc | H away from NH side | 4 | 3 | 5 | |
aHCN | 114.3 | 1998Kuc | H away from NH side | 1 | 3 | 5 |
squib | reference |
---|---|
1998Kuc | K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998 |