|   | Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101 
National Institute of Standards and Technology | 
|  | 
| Molecule problem. Defaulted to H2CO | 
| You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry | 
 
Geometry for  ()
 1A1 C2V
1910171554
InChI=1S/CH2O/c1-2/h1H2 INChIKey=WSFSSNUMVMOOMR-UHFFFAOYSA-N
CCSD(T)_cp/6-31G*
 
Point group is C2v
| Atom | Internal | 
| x (Å) | y (Å) | z (Å) | 
| O1 | 0.0000 | 0.0000 | 0.6838 | 
| C2 | 0.0000 | 0.0000 | -0.5364 | 
| H3 | 0.0000 | 0.9385 | -1.1259 | 
| H4 | 0.0000 | -0.9385 | -1.1259 | 
Atom - Atom Distances (Å)
|  | O1 | C2 | H3 | H4 | 
  | O1 |  | 1.2202 | 2.0386 | 2.0386 | 
|---|
  | C2 | 1.2202 |  | 1.1083 | 1.1083 | 
|---|
  | H3 | 2.0386 | 1.1083 |  | 1.8770 | 
|---|
  | H4 | 2.0386 | 1.1083 | 1.8770 |  | 
|---|
Maximum atom distance is 2.0386Å 
between atoms O1 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 |  | atom1 | atom2 | atom3 | angle | 
For information on specific bond angles or dihedrals 
see the geometry comparison page in section 
Comparisons > Geometry > Bonds, angles.