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Geometry for CHOOCHO (diformyl ether) 1A1 C2V

1910171554
InChI=1S/C2H2O3/c3-1-5-2-4/h1-2H INChIKey=

HF/LANL2DZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.3288   0.3288 0.0000 0.0000
C2 0.0000 1.2065 -0.3297   -0.3297 0.0000 1.2065
C3 0.0000 -1.2065 -0.3297   -0.3297 0.0000 -1.2065
O4 0.0000 2.2468 0.2590   0.2590 0.0000 2.2468
O5 0.0000 -2.2468 0.2590   0.2590 0.0000 -2.2468
H6 0.0000 1.1238 -1.4090   -1.4090 0.0000 1.1238
H7 0.0000 -1.1238 -1.4090   -1.4090 0.0000 -1.1238
Atom - Atom Distances (Å)
  O1 C2 C3 O4 O5 H6 H7
O1 1.3745 1.3745 2.2479 2.2479 2.0695 2.0695
C2 1.3745 2.4130 1.1953 3.5031 1.0825 2.5682
C3 1.3745 2.4130 3.5031 1.1953 2.5682 1.0825
O4 2.2479 1.1953 3.5031 4.4935 2.0108 3.7607
O5 2.2479 3.5031 1.1953 4.4935 3.7607 2.0108
H6 2.0695 1.0825 2.5682 2.0108 3.7607 2.2476
H7 2.0695 2.5682 1.0825 3.7607 2.0108 2.2476
Maximum atom distance is 4.4935Å between atoms O4 and O5.
picture of diformyl ether
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 O4 121.871 O1 C3 O5 121.871
C2 O1 C3 122.754
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H6 114.241 O4 C2 H6 123.887

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.