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Geometry for C3H4O2 (Methyl glyoxal) 1A' CS

1910171554
InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3 INChIKey=AIJULSRZWUXGPQ-UHFFFAOYSA-N

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Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.8405 -0.7312 0.0000   -0.5183 -0.9861 0.0000
C2 0.0000 0.5546 0.0000   0.5397 0.1275 0.0000
C3 1.4912 0.3923 0.0000   0.0389 1.5415 0.0000
O4 -0.3642 -1.8284 0.0000   -1.6956 -0.7749 0.0000
O5 -0.5784 1.6080 0.0000   1.6980 -0.1931 0.0000
H6 -1.9297 -0.5411 0.0000   -0.0828 -2.0024 0.0000
H7 1.9645 1.3699 0.0000   0.8814 2.2269 0.0000
H8 1.8010 -0.1801 0.8747   -0.5895 1.7113 0.8747
H9 1.8010 -0.1801 -0.8747   -0.5895 1.7113 -0.8747
Atom - Atom Distances (Å)
  C1 C2 C3 O4 O5 H6 H7 H8 H9
C1 1.5361 2.5883 1.1962 2.3538 1.1056 3.5047 2.8366 2.8366
C2 1.5361 1.5000 2.4106 1.2018 2.2190 2.1270 2.1327 2.1327
C3 2.5883 1.5000 2.8938 2.4003 3.5459 1.0862 1.0903 1.0903
O4 1.1962 2.4106 2.8938 3.4431 2.0268 3.9563 2.8583 2.8583
O5 2.3538 1.2018 2.4003 3.4431 2.5386 2.5540 3.1023 3.1023
H6 1.1056 2.2190 3.5459 2.0268 2.5386 4.3378 3.8488 3.8488
H7 3.5047 2.1270 1.0862 3.9563 2.5540 4.3378 1.7873 1.7873
H8 2.8366 2.1327 1.0903 2.8583 3.1023 3.8488 1.7873 1.7494
H9 2.8366 2.1327 1.0903 2.8583 3.1023 3.8488 1.7873 1.7494
Maximum atom distance is 4.3378Å between atoms H6 and H7.
picture of Methyl glyoxal
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 116.964 C1 C2 O5 118.057
C2 C1 O4 123.362 C3 C2 O5 124.979
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H6 113.274 C2 C3 H7 109.622
C2 C3 H8 109.830 C2 C3 H9 109.830
O4 C1 H6 123.365 H7 C3 H8 110.412
H7 C3 H9 110.412 H8 C3 H9 106.695

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