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 |
---|---|
C6H5CN | phenyl cyanide |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCC | 1.388 | 1976Hellwege(II/7) | 3 | 4 | |||
rCC | 1.396 | 1976Hellwege(II/7) | 4 | 6 | |||
rCC | 1.397 | 1976Hellwege(II/7) | 6 | 8 | |||
rCC | 1.451 | 1976Hellwege(II/7) | 2 | 3 | |||
rCN | 1.158 | 1976Hellwege(II/7) | 1 | 2 | |||
rCH | 1.080 | 1976Hellwege(II/7) | 4 | 9 | |||
rCH | 1.082 | 1976Hellwege(II/7) | 6 | 11 | |||
rCH | 1.080 | 1976Hellwege(II/7) | 8 | 13 | |||
aCCC | 121.6 | 1976Hellwege(II/7) | 4 | 3 | 5 | ||
aCCC | 119.0 | 1976Hellwege(II/7) | 3 | 4 | 6 | ||
aCCC | 120.1 | 1976Hellwege(II/7) | 4 | 6 | 8 | ||
aCCC | 120.1 | 1976Hellwege(II/7) | 6 | 8 | 7 | ||
aHCC | 120.4 | 1976Hellwege(II/7) | 6 | 4 | 9 | ||
aHCC | 120.0 | 1976Hellwege(II/7) | 4 | 6 | 11 |
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. |