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Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
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Geometry for C2H (Ethynyl radical)
2Σ C*V
1910171554
InChI=1S/C2H/c1-2/h1H INChIKey=XEHVFKKSDRMODV-UHFFFAOYSA-N
B3PW91/cc-pVTZ
Point group is C∞v
| Atom |
Internal |
| x (Å) |
y (Å) |
z (Å) |
| C1 |
0.0000 |
0.0000 |
-0.4721 |
| C2 |
0.0000 |
0.0000 |
0.7283 |
| H3 |
0.0000 |
0.0000 |
-1.5368 |
Atom - Atom Distances (Å)
| |
C1 |
C2 |
H3 |
| C1 |
|
1.2004 |
1.0646 |
| C2 |
1.2004 |
| 2.2650 |
| H3 |
1.0646 |
2.2650 |
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Maximum atom distance is 2.2650Å
between atoms C2 and H3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
Calculated Bond Angles (degrees) (Involving Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
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C2 |
C1 |
H3 |
180.000 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.