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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 C2H3 (vinyl)
2A' CS
1910171554
InChI=1S/C2H3/c1-2/h1H,2H2 INChIKey=ORGHESHFQPYLAO-UHFFFAOYSA-N
CCSD(T)_cp/6-31G*
Point group is Cs
| Atom |
Internal |
| x (Å) |
y (Å) |
z (Å) |
| C1 |
0.0506 |
0.7303 |
0.0000 |
| C2 |
0.0506 |
-0.5919 |
0.0000 |
| H3 |
-0.7023 |
1.5127 |
0.0000 |
| H4 |
-0.8800 |
-1.1717 |
0.0000 |
| H5 |
0.9752 |
-1.1713 |
0.0000 |
Atom - Atom Distances (Å)
| |
C1 |
C2 |
H3 |
H4 |
H5 |
| C1 |
|
1.3222 |
1.0859 |
2.1174 |
2.1145 |
| C2 |
1.3222 |
| 2.2353 |
1.0964 |
1.0911 |
| H3 |
1.0859 |
2.2353 |
| 2.6902 |
3.1651 |
| H4 |
2.1174 |
1.0964 |
2.6902 |
| 1.8553 |
| H5 |
2.1145 |
1.0911 |
3.1651 |
1.8553 |
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Maximum atom distance is 3.1651Å
between atoms H3 and H5.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
Calculated Bond Angles (degrees) (Involving Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.