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 |
---|---|
CH3NO3 | Methyl nitrate |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCH | 1.095 | 1976Hellwege(II/7) | out of plane H | 5 | 8 | ||
rCH | 1.088 | 1976Hellwege(II/7) | in plane H | 5 | 6 | ||
rCO | 1.437 | 1976Hellwege(II/7) | 4 | 5 | |||
rNO | 1.402 | 1976Hellwege(II/7) | from O with C | 1 | 4 | ||
rNO | 1.205 | 1976Hellwege(II/7) | 1 | 2 | |||
rNO | 1.208 | 1976Hellwege(II/7) | 1 | 3 | |||
aHCO | 110.4 | 1976Hellwege(II/7) | to out of plane H | 4 | 5 | 8 | |
aHCO | 103.4 | 1976Hellwege(II/7) | to in plane H | 4 | 5 | 6 | |
aCON | 112.7 | 1976Hellwege(II/7) | 1 | 4 | 5 | ||
aONO | 118.1 | 1976Hellwege(II/7) | 2 | 1 | 4 | ||
aONO | 112.4 | 1976Hellwege(II/7) | 3 | 1 | 4 | ||
aONO | 129.5 | 1976Hellwege(II/7) | 2 | 1 | 3 |
squib | reference |
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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. |