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II.A.3. (XII.A.1.) |
Point Group C2h
Internal coordinates (distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)
| Description | Value | Connectivity | Reference | Comment | |||
|---|---|---|---|---|---|---|---|
| Atom 1 | Atom 2 | Atom 3 | Atom 4 | ||||
| rCC | 1.544 | 1 | 2 | 1976Hellwege(II/7) | |||
| rCO | 1.205 | 1 | 5 | 1976Hellwege(II/7) | |||
| rCO | 1.336 | 1 | 3 | 1976Hellwege(II/7) | |||
| aCCO | 123.1 | 1 | 2 | 6 | 1976Hellwege(II/7) | ||
| aOCO | 125 | 3 | 1 | 5 | 1976Hellwege(II/7) | ||
| aCOH | 104.4 | 1 | 3 | 7 | 1976Hellwege(II/7) | ||
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
| Bond Type | Count |
|---|---|
| C-C | 1 |
| C-O | 2 |
| C=O | 2 |
| H-O | 2 |
| Atom | x (Å) | y (Å) | z (Å) |
|---|
Atom - Atom Distances (Å)
| squib | reference | DOI |
|---|---|---|
| 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. |
Got a better number? Please email us at
cccbdb@nist.gov
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