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 |
---|---|
C6H5NH2 | aniline |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCH | 1.084 | 1976Hellwege(II/7) | !assumed | 2 | 8 | ||
rCC | 1.392 | 1976Hellwege(II/7) | assumed all equivalent | 1 | 2 | ||
rCN | 1.431 | 1976Hellwege(II/7) | 1 | 7 | |||
aHNH | 113.9 | 1976Hellwege(II/7) | 13 | 7 | 14 | ||
aHNC | 114.9 | 1976Hellwege(II/7) | from symmetry and NH2 out of plane angle of 39.4 | 1 | 7 | 13 |
squib | reference |
---|---|
1976Hellwege(II/7) | Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976. |