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Geometry for CH2CHOCHCH2 (Vinyl ether) 1A C1

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

B97D3/cc-pVTZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 -0.0461 -0.7945 0.0485   0.0449 -0.7925 -0.0752
C2 1.2921 -0.4948 0.0071   -1.2929 -0.4916 -0.0302
C3 -0.9335 0.2279 0.2984   0.9354 0.2360 -0.2859
C4 1.8476 0.7086 -0.1492   -1.8470 0.7069 0.1641
C5 -2.1689 0.2141 -0.1950   2.1683 0.2030 0.2128
H6 1.8744 -1.4060 0.1039   -1.8765 -1.3978 -0.1608
H7 -0.5549 1.0011 0.9650   0.5616 1.0321 -0.9278
H8 2.9279 0.7897 -0.1540   -2.9271 0.7900 0.1663
H9 1.2689 1.6136 -0.2930   -1.2674 1.6054 0.3413
H10 -2.8680 0.9916 0.0886   2.8703 0.9882 -0.0409
H11 -2.5031 -0.5694 -0.8664   2.4977 -0.6035 0.8590
Atom - Atom Distances (Å)
  O1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11
O1 1.3720 1.3767 2.4259 2.3628 2.0163 2.0792 3.3757 2.7650 3.3399 2.6315
C2 1.3720 2.3580 1.3346 3.5386 1.0857 2.5625 2.0861 2.1298 4.4184 3.8951
C3 1.3767 2.3580 2.8576 1.3303 3.2545 1.0888 3.9282 2.6684 2.0903 2.1110
C4 2.4259 1.3346 2.8576 4.0471 2.1299 2.6644 1.0834 1.0838 4.7301 4.5909
C5 2.3628 3.5386 1.3303 4.0471 4.3660 2.1377 5.1293 3.7131 1.0834 1.0846
H6 2.0163 1.0857 3.2545 2.1299 4.3660 3.5266 2.4490 3.1052 5.3140 4.5611
H7 2.0792 2.5625 1.0888 2.6644 2.1377 3.5266 3.6643 2.2988 2.4736 3.1009
H8 3.3757 2.0861 3.9282 1.0834 5.1293 2.4490 3.6643 1.8575 5.8045 5.6436
H9 2.7650 2.1298 2.6684 1.0838 3.7131 3.1052 2.2988 1.8575 4.2009 4.3957
H10 3.3399 4.4184 2.0903 4.7301 1.0834 5.3140 2.4736 5.8045 4.2009 1.8660
H11 2.6315 3.8951 2.1110 4.5909 1.0846 4.5611 3.1009 5.6436 4.3957 1.8660
Maximum atom distance is 5.8045Å 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 127.229 O1 C3 C5 122.067
C2 O1 C3 118.478
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H6 110.085 O1 C3 H7 114.316
C2 C4 H8 119.109 C2 C4 H9 123.151
C3 C5 H10 119.906 C3 C5 H11 121.606
C4 C2 H6 122.682 C5 C3 H7 123.532
H8 C4 H9 117.732 H10 C5 H11 118.476

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