return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

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
Maximum atom distance is 3.2048Å between atoms H3 and H4.
picture of methylmethylene
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.