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Geometry for CH3CH2COOH (Propanoic Acid) 1A' CS

1910171554
InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5) INChIKey=XBDQKXXYIPTUBI-UHFFFAOYSA-N

HSEh1PBE/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.5595 0.0000   0.5492 0.1067 0.0000
C2 -0.6013 -0.8128 0.0000   -0.6833 -0.7452 0.0000
C3 0.4486 -1.9146 0.0000   -1.9650 0.0754 0.0000
O4 -0.9688 1.5330 0.0000   1.6896 -0.6588 0.0000
O5 1.1989 0.8346 0.0000   0.5907 1.3360 0.0000
H6 -1.2625 -0.8859 0.8731   -0.6290 -1.4082 0.8731
H7 -1.2625 -0.8859 -0.8731   -0.6290 -1.4082 -0.8731
H8 -0.0277 -2.8992 0.0000   -2.8407 -0.5799 0.0000
H9 1.0930 -1.8418 -0.8806   -2.0164 0.7219 -0.8806
H10 1.0930 -1.8418 0.8806   -2.0164 0.7219 0.8806
H11 -0.5582 2.4213 0.0000   2.4833 -0.0864 0.0000
Atom - Atom Distances (Å)
  C1 C2 C3 O4 O5 H6 H7 H8 H9 H10 H11
C1 1.4983 2.5144 1.3734 1.2301 2.1084 2.1084 3.4588 2.7814 2.7814 1.9437
C2 1.4983 1.5219 2.3744 2.4403 1.0976 1.0976 2.1638 2.1691 2.1691 3.2344
C3 2.5144 1.5219 3.7276 2.8497 2.1790 2.1790 1.0938 1.0936 1.0936 4.4512
O4 1.3734 2.3744 3.7276 2.2774 2.5884 2.5884 4.5310 4.0517 4.0517 0.9786
O5 1.2301 2.4403 2.8497 2.2774 3.1275 3.1275 3.9301 2.8195 2.8195 2.3675
H6 2.1084 1.0976 2.1790 2.5884 3.1275 1.7463 2.5179 3.0883 2.5421 3.4923
H7 2.1084 1.0976 2.1790 2.5884 3.1275 1.7463 2.5179 2.5421 3.0883 3.4923
H8 3.4588 2.1638 1.0938 4.5310 3.9301 2.5179 2.5179 1.7747 1.7747 5.3469
H9 2.7814 2.1691 1.0936 4.0517 2.8195 3.0883 2.5421 1.7747 1.7611 4.6558
H10 2.7814 2.1691 1.0936 4.0517 2.8195 2.5421 3.0883 1.7747 1.7611 4.6558
H11 1.9437 3.2344 4.4512 0.9786 2.3675 3.4923 3.4923 5.3469 4.6558 4.6558
Maximum atom distance is 5.3469Å between atoms H8 and H11.
picture of Propanoic Acid
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 112.718 C2 C1 O4 111.478
C2 C1 O5 126.586 O4 C1 O5 121.935
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 107.624 C1 C2 H7 107.624
C1 O4 H11 110.334 C2 C3 H8 110.564
C2 C3 H9 111.001 C2 C3 H10 111.001
C3 C2 H6 111.549 C3 C2 H7 111.549
H6 C2 H7 105.398 H8 C3 H9 108.452
H8 C3 H10 108.452 H9 C3 H10 107.255

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