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Geometry for H2CO3 (Carbonic acid) 1A1 C2V

1910171554
InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4) INChIKey=BVKZGUZCCUSVTD-UHFFFAOYSA-N

B3LYP/CEP-121G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.1052   0.1052 0.0000 0.0000
O2 0.0000 0.0000 1.3530   1.3530 0.0000 0.0000
O3 0.0000 1.1192 -0.6983   -0.6983 0.0000 1.1192
O4 0.0000 -1.1192 -0.6983   -0.6983 0.0000 -1.1192
H5 0.0000 1.9276 -0.1410   -0.1410 0.0000 1.9276
H6 0.0000 -1.9276 -0.1410   -0.1410 0.0000 -1.9276
Atom - Atom Distances (Å)
  C1 O2 O3 O4 H5 H6
C1 1.2479 1.3778 1.3778 1.9432 1.9432
O2 1.2479 2.3368 2.3368 2.4388 2.4388
O3 1.3778 2.3368 2.2385 0.9819 3.0974
O4 1.3778 2.3368 2.2385 3.0974 0.9819
H5 1.9432 2.4388 0.9819 3.0974 3.8551
H6 1.9432 2.4388 3.0974 0.9819 3.8551
Maximum atom distance is 3.8551Å between atoms H5 and H6.
picture of Carbonic acid
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 O3 125.674 O2 C1 O4 125.674
O3 C1 O4 108.651
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O3 H5 109.738 C1 O4 H6 109.738

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