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Geometry for C3H4O (Methylketene) 1A' CS

1910171554
InChI=1S/C3H4O/c1-2-3-4/h2H,1H3 INChIKey=UYLUJGRCKKSWHS-UHFFFAOYSA-N

B1B95/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6674 -0.3929 0.0000   0.7619 -0.1386 0.0000
C2 0.0000 0.7388 0.0000   -0.4826 -0.5593 0.0000
C3 1.5036 0.8250 0.0000   -1.6774 0.3576 0.0000
O4 -1.2626 -1.4016 0.0000   1.8716 0.2364 0.0000
H5 -0.6060 1.6385 0.0000   -0.6116 -1.6364 0.0000
H6 1.9597 -0.1660 0.0000   -1.3753 1.4059 0.0000
H7 1.8649 1.3574 0.8843   -2.2987 0.1906 0.8843
H8 1.8649 1.3574 -0.8843   -2.2987 0.1906 -0.8843
Atom - Atom Distances (Å)
  C1 C2 C3 O4 H5 H6 H7 H8
C1 1.3138 2.4893 1.1713 2.0323 2.6368 3.2028 3.2028
C2 1.3138 1.5061 2.4851 1.0848 2.1585 2.1547 2.1547
C3 2.4893 1.5061 3.5511 2.2610 1.0909 1.0936 1.0936
O4 1.1713 2.4851 3.5511 3.1102 3.4511 4.2633 4.2633
H5 2.0323 1.0848 2.2610 3.1102 3.1367 2.6394 2.6394
H6 2.6368 2.1585 1.0909 3.4511 3.1367 1.7640 1.7640
H7 3.2028 2.1547 1.0936 4.2633 2.6394 1.7640 1.7686
H8 3.2028 2.1547 1.0936 4.2633 2.6394 1.7640 1.7686
Maximum atom distance is 4.2633Å between atoms O4 and H7.
picture of Methylketene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 123.814 C2 C1 O4 179.988
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 115.509 C2 C3 H6 111.427
C2 C3 H7 110.959 C2 C3 H8 110.959
C3 C2 H5 120.678 H6 C3 H7 107.708
H6 C3 H8 107.708 H7 C3 H8 107.921

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