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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

B3LYP/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.5730 0.0000   0.5640 -0.1009 0.0000
C2 -0.6021 -0.8159 0.0000   -0.9092 -0.4489 0.0000
C3 0.4525 -1.9203 0.0000   -1.8105 0.7837 0.0000
O4 -0.9626 1.5318 0.0000   1.3383 -1.2173 0.0000
O5 1.1811 0.8401 0.0000   1.0350 1.0147 0.0000
H6 -1.2634 -0.8902 0.8731   -1.0988 -1.0869 0.8731
H7 -1.2634 -0.8902 -0.8731   -1.0988 -1.0869 -0.8731
H8 -0.0260 -2.9049 0.0000   -2.8641 0.4861 0.0000
H9 1.0958 -1.8481 -0.8819   -1.6262 1.4042 -0.8819
H10 1.0958 -1.8481 0.8819   -1.6262 1.4042 0.8819
H11 -0.4901 2.3855 0.0000   2.2619 -0.9027 0.0000
Atom - Atom Distances (Å)
  C1 C2 C3 O4 O5 H6 H7 H8 H9 H10 H11
C1 1.5138 2.5340 1.3586 1.2110 2.1211 2.1211 3.4780 2.8000 2.8000 1.8776
C2 1.5138 1.5270 2.3752 2.4335 1.0978 1.0978 2.1670 2.1739 2.1739 3.2034
C3 2.5340 1.5270 3.7308 2.8549 2.1835 2.1835 1.0948 1.0940 1.0940 4.4077
O4 1.3586 2.3752 3.7308 2.2525 2.5920 2.5920 4.5345 4.0544 4.0544 0.9757
O5 1.2110 2.4335 2.8549 2.2525 3.1196 3.1196 3.9347 2.8304 2.8304 2.2763
H6 2.1211 1.0978 2.1835 2.5920 3.1196 1.7461 2.5205 3.0925 2.5463 3.4771
H7 2.1211 1.0978 2.1835 2.5920 3.1196 1.7461 2.5205 2.5463 3.0925 3.4771
H8 3.4780 2.1670 1.0948 4.5345 3.9347 2.5205 2.5205 1.7757 1.7757 5.3107
H9 2.8000 2.1739 1.0940 4.0544 2.8304 3.0925 2.5463 1.7757 1.7637 4.6061
H10 2.8000 2.1739 1.0940 4.0544 2.8304 2.5463 3.0925 1.7757 1.7637 4.6061
H11 1.8776 3.2034 4.4077 0.9757 2.2763 3.4771 3.4771 5.3107 4.6061 4.6061
Maximum atom distance is 5.3107Å 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 112.885 C2 C1 O4 111.452
C2 C1 O5 126.178 O4 C1 O5 122.370
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 107.557 C1 C2 H7 107.557
C1 O4 H11 105.929 C2 C3 H8 110.403
C2 C3 H9 111.003 C2 C3 H10 111.003
C3 C2 H6 111.539 C3 C2 H7 111.539
H6 C2 H7 105.367 H8 C3 H9 108.443
H8 C3 H10 108.443 H9 C3 H10 107.437

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