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II.A.1. (XV.A.) |
| INChI | SMILES | IUPAC name |
|---|---|---|
| InChI=1S/CSe/c1-2 | [C]=[Se] |
| Property | Value | Uncertainty | units | Reference | Comment |
|---|
| Mode Number | Symmetry | Frequency (cm-1) | Frequency Reference | Intensity (km mol-1) | Int. unc. | Intensity Reference | Comment |
|---|---|---|---|---|---|---|---|
| 1 | Σ | 1035 | webbook | omega e |
| A | B | C | reference | comment |
|---|---|---|---|---|
| 0.57500 | webbook |
Product of moments of inertia ![]() | ||||
|---|---|---|---|---|
| 29.31762 | amu Å2 | 4.868381E-39 | gm cm2 | |
Point Group C∞v
Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees
| Description | Value | unc. | Connectivity | Reference | Comment | |||
|---|---|---|---|---|---|---|---|---|
| Atom 1 | Atom 2 | Atom 3 | Atom 4 | |||||
| rCSe | 1.676 | 0.000 | 1 | 2 | NISTdiatomic | re | ||
Cartesians
| Atom | x (Å) | y (Å) | z (Å) |
|---|---|---|---|
| C1 | 0.0000 | 0.0000 | 0.0000 |
| Se2 | 0.0000 | 0.0000 | 1.6762 |
Atom - Atom Distances
Distances in Å
| C1 | Se2 | |
|---|---|---|
| C1 | 1.6762 | |
| Se2 | 1.6762 |
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
| Bond Type | Count |
|---|---|
| C-Se | 1 |
Connectivity
| Atom 1 | Atom 2 |
|---|---|
| C1 | Se2 |
| Energy (cm-1) | Degeneracy | reference | description |
|---|---|---|---|
| 0 | 1 |
Ionization Energies (eV)
| Ionization Energy | I.E. unc. | vertical I.E. | v.I.E. unc. | Electron Affinity | E.A. unc. | reference |
|---|---|---|---|---|---|---|
| 10.800 | 0.500 | webbook |
| squib | reference | DOI |
|---|---|---|
| NISTdiatomic | NIST Diatomic Spectral Database (www.physics.nist.gov/PhysRefData/MolSpec/Diatomic/index.html) | |
| webbook | NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) |
Got a better number? Please email us at
cccbdb@nist.gov
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