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Geometry for H2OHCOOH (Water formic acid dimer 1) 1A C1

1910171554
InChI=1S/CH4O3/c2-1-4-5-3/h1,3-4H INChIKey=BGRYVUXAGIVYCH-UHFFFAOYSA-N

PBEPBE_cp/aug-cc-pVTZ


Point group is C1
Atom Internal
x (Å) y (Å) z (Å)
H1 1.9011 0.4736 -0.0024
O2 2.4379 -0.3360 -0.0591
O3 -0.2470 0.9139 0.0090
H4 3.3014 -0.0898 0.3070
H5 -0.9543 1.5889 -0.0576
C6 -0.8653 -0.3027 0.0315
O7 -2.0605 -0.4604 -0.0170
H8 -0.0998 -1.0964 0.1001
Atom - Atom Distances (Å)
  H1 O2 O3 H4 H5 C6 O7 H8
H1 0.9730 2.1928 1.5407 3.0660 2.8735 4.0703 2.5454
O2 0.9730 2.9623 0.9696 3.9003 3.3047 4.5003 2.6540
O3 2.1928 2.9623 3.6996 0.9800 1.3648 2.2755 2.0177
H4 1.5407 0.9696 3.6996 4.5893 4.1812 5.3844 3.5530
H5 3.0660 3.9003 0.9800 4.5893 1.8958 2.3292 2.8224
C6 2.8735 3.3047 1.3648 4.1812 1.8958 1.2065 1.1048
O7 4.0703 4.5003 2.2755 5.3844 2.3292 1.2065 2.0645
H8 2.5454 2.6540 2.0177 3.5530 2.8224 1.1048 2.0645
Maximum atom distance is 5.3844Å between atoms H4 and O7.
picture of Water formic acid dimer 1
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.