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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 CH3CH (methylmethylene)
3A" CS
1910171554
InChI=1S/C2H4/c1-2/h1H,2H3 INChIKey=UUFQTNFCRMXOAE-UHFFFAOYSA-N
QCISD(T)/aug-cc-pVDZ
Point group is not available
| Atom |
Internal |
| x (Å) |
y (Å) |
z (Å) |
| C1 |
0.0495 |
0.8677 |
0.0000 |
| C2 |
0.0495 |
-0.6234 |
0.0000 |
| H3 |
-0.7576 |
1.6103 |
0.0000 |
| H4 |
1.0849 |
-1.0120 |
0.0000 |
| H5 |
-0.4606 |
-1.0320 |
0.8977 |
| H6 |
-0.4606 |
-1.0320 |
-0.8977 |
Atom - Atom Distances (Å)
| |
C1 |
C2 |
H3 |
H4 |
H5 |
H6 |
| C1 |
|
1.4911 |
1.0967 |
2.1460 |
2.1622 |
2.1622 |
| C2 |
1.4911 |
| 2.3750 |
1.1059 |
1.1104 |
1.1104 |
| H3 |
1.0967 |
2.3750 |
| 3.2048 |
2.8064 |
2.8064 |
| H4 |
2.1460 |
1.1059 |
3.2048 |
| 1.7874 |
1.7874 |
| H5 |
2.1622 |
1.1104 |
2.8064 |
1.7874 |
| 1.7955 |
| H6 |
2.1622 |
1.1104 |
2.8064 |
1.7874 |
1.7955 |
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Maximum atom distance is 3.2048Å
between atoms H3 and H4.
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.