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Geometry for CH2CHOCHCH2 (Vinyl ether) 1A1 C2V

1910171554
InChI=1S/C4H6O/c1-3-5-4-2/h3-4H,1-2H2 INChIKey=QYKIQEUNHZKYBP-UHFFFAOYSA-N

B1B95/aug-cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.3336   0.3336 0.0000 0.0000
C2 0.0000 1.1649 -0.3695   -0.3695 0.0000 1.1649
C3 0.0000 -1.1649 -0.3695   -0.3695 0.0000 -1.1649
C4 0.0000 2.3494 0.2323   0.2323 0.0000 2.3494
C5 0.0000 -2.3494 0.2323   0.2323 0.0000 -2.3494
H6 0.0000 1.0509 -1.4543   -1.4543 0.0000 1.0509
H7 0.0000 -1.0509 -1.4543   -1.4543 0.0000 -1.0509
H8 0.0000 3.2500 -0.3714   -0.3714 0.0000 3.2500
H9 0.0000 2.4399 1.3144   1.3144 0.0000 2.4399
H10 0.0000 -3.2500 -0.3714   -0.3714 0.0000 -3.2500
H11 0.0000 -2.4399 1.3144   1.3144 0.0000 -2.4399
Atom - Atom Distances (Å)
  O1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11
O1 1.3607 1.3607 2.3515 2.3515 2.0739 2.0739 3.3256 2.6297 3.3256 2.6297
C2 1.3607 2.3299 1.3286 3.5655 1.0907 2.4671 2.0851 2.1122 4.4149 3.9788
C3 1.3607 2.3299 3.5655 1.3286 2.4671 1.0907 4.4149 3.9788 2.0851 2.1122
C4 2.3515 1.3286 3.5655 4.6987 2.1286 3.7955 1.0843 1.0859 5.6318 4.9100
C5 2.3515 3.5655 1.3286 4.6987 3.7955 2.1286 5.6318 4.9100 1.0843 1.0859
H6 2.0739 1.0907 2.4671 2.1286 3.7955 2.1017 2.4513 3.0977 4.4351 4.4555
H7 2.0739 2.4671 1.0907 3.7955 2.1286 2.1017 4.4351 4.4555 2.4513 3.0977
H8 3.3256 2.0851 4.4149 1.0843 5.6318 2.4513 4.4351 1.8704 6.5000 5.9344
H9 2.6297 2.1122 3.9788 1.0859 4.9100 3.0977 4.4555 1.8704 5.9344 4.8799
H10 3.3256 4.4149 2.0851 5.6318 1.0843 4.4351 2.4513 6.5000 5.9344 1.8704
H11 2.6297 3.9788 2.1122 4.9100 1.0859 4.4555 3.0977 5.9344 4.8799 1.8704
Maximum atom distance is 6.5000Å between atoms H8 and H10.
picture of Vinyl ether
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 C4 121.945 O1 C3 C5 121.945
C2 O1 C3 117.766
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H6 115.114 O1 C3 H7 115.114
C2 C4 H8 119.227 C2 C4 H9 121.722
C3 C5 H10 119.227 C3 C5 H11 121.722
C4 C2 H6 122.941 C5 C3 H7 122.941
H8 C4 H9 119.050 H10 C5 H11 119.050

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