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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 C2H4 (Ethylene)
1Ag D2H
1910171554
InChI=1S/C2H4/c1-2/h1-2H2 INChIKey=VGGSQFUCUMXWEO-UHFFFAOYSA-N
B3LYP/6-311G*
Point group is D2h
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
C1 |
0.0000 |
0.0000 |
0.6636 |
|
0.6636 |
0.0000 |
0.0000 |
C2 |
0.0000 |
0.0000 |
-0.6636 |
|
-0.6636 |
0.0000 |
0.0000 |
H3 |
0.0000 |
0.9224 |
1.2366 |
|
1.2366 |
0.9224 |
0.0000 |
H4 |
0.0000 |
-0.9224 |
1.2366 |
|
1.2366 |
-0.9224 |
0.0000 |
H5 |
0.0000 |
-0.9224 |
-1.2366 |
|
-1.2366 |
-0.9224 |
0.0000 |
H6 |
0.0000 |
0.9224 |
-1.2366 |
|
-1.2366 |
0.9224 |
0.0000 |
Atom - Atom Distances (Å)
|
C1 |
C2 |
H3 |
H4 |
H5 |
H6 |
C1 |
|
1.3272 |
1.0858 |
1.0858 |
2.1122 |
2.1122 |
C2 |
1.3272 |
| 2.1122 |
2.1122 |
1.0858 |
1.0858 |
H3 |
1.0858 |
2.1122 |
| 1.8448 |
3.0853 |
2.4731 |
H4 |
1.0858 |
2.1122 |
1.8448 |
| 2.4731 |
3.0853 |
H5 |
2.1122 |
1.0858 |
3.0853 |
2.4731 |
| 1.8448 |
H6 |
2.1122 |
1.0858 |
2.4731 |
3.0853 |
1.8448 |
|
Maximum atom distance is 3.0853Å
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 |
C1 |
C2 |
H5 |
121.848 |
|
C1 |
C2 |
H6 |
121.848 |
C2 |
C1 |
H3 |
121.848 |
|
C2 |
C1 |
H4 |
121.848 |
H3 |
C1 |
H4 |
116.304 |
|
H5 |
C2 |
H6 |
116.304 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.