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Geometry for C4H10O (Ethoxy ethane) 1A1 C2V

1910171554
InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3 INChIKey=RTZKZFJDLAIYFH-UHFFFAOYSA-N

PBEPBE/Def2TZVPP


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.3327   0.0000 0.3327 0.0000
C2 0.0000 1.2023 -0.5236   1.2023 -0.5236 0.0000
C3 0.0000 -1.2023 -0.5236   -1.2023 -0.5236 0.0000
C4 0.0000 2.4264 0.3819   2.4264 0.3819 0.0000
C5 0.0000 -2.4264 0.3819   -2.4264 0.3819 0.0000
H6 0.8705 1.1886 -1.1351   1.1886 -1.1351 0.8705
H7 -0.8705 1.1886 -1.1351   1.1886 -1.1351 -0.8705
H8 0.8705 -1.1886 -1.1351   -1.1886 -1.1351 0.8705
H9 -0.8705 -1.1886 -1.1351   -1.1886 -1.1351 -0.8705
H10 0.0000 3.3080 -0.2182   3.3080 -0.2182 0.0000
H11 0.0000 -3.3080 -0.2182   -3.3080 -0.2182 0.0000
H12 -0.8708 2.4157 1.0039   2.4157 1.0039 -0.8708
H13 0.8708 2.4157 1.0039   2.4157 1.0039 0.8708
H14 0.8708 -2.4157 1.0039   -2.4157 1.0039 0.8708
H15 -0.8708 -2.4157 1.0039   -2.4157 1.0039 -0.8708
Atom - Atom Distances (Å)
  O1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13 H14 H15
O1 1.4761 1.4761 2.4269 2.4269 2.0796 2.0796 2.0796 2.0796 3.3535 3.3535 2.6541 2.6541 2.6541 2.6541
C2 1.4761 2.4047 1.5225 3.7400 1.0639 1.0639 2.6169 2.6169 2.1277 4.5207 2.1362 2.1362 4.0226 4.0226
C3 1.4761 2.4047 3.7400 1.5225 2.6169 2.6169 1.0639 1.0639 4.5207 2.1277 4.0226 4.0226 2.1362 2.1362
C4 2.4269 1.5225 3.7400 4.8527 2.1427 2.1427 4.0158 4.0158 1.0664 5.7657 1.0702 1.0702 4.9589 4.9589
C5 2.4269 3.7400 1.5225 4.8527 4.0158 4.0158 2.1427 2.1427 5.7657 1.0664 4.9589 4.9589 1.0702 1.0702
H6 2.0796 1.0639 2.6169 2.1427 4.0158 1.7411 2.3771 2.9465 2.4679 4.6709 3.0188 2.4659 4.1911 4.5385
H7 2.0796 1.0639 2.6169 2.1427 4.0158 1.7411 2.9465 2.3771 2.4679 4.6709 2.4659 3.0188 4.5385 4.1911
H8 2.0796 2.6169 1.0639 4.0158 2.1427 2.3771 2.9465 1.7411 4.6709 2.4679 4.5385 4.1911 2.4659 3.0188
H9 2.0796 2.6169 1.0639 4.0158 2.1427 2.9465 2.3771 1.7411 4.6709 2.4679 4.1911 4.5385 3.0188 2.4659
H10 3.3535 2.1277 4.5207 1.0664 5.7657 2.4679 2.4679 4.6709 4.6709 6.6160 1.7458 1.7458 5.9171 5.9171
H11 3.3535 4.5207 2.1277 5.7657 1.0664 4.6709 4.6709 2.4679 2.4679 6.6160 5.9171 5.9171 1.7458 1.7458
H12 2.6541 2.1362 4.0226 1.0702 4.9589 3.0188 2.4659 4.5385 4.1911 1.7458 5.9171 1.7416 5.1356 4.8313
H13 2.6541 2.1362 4.0226 1.0702 4.9589 2.4659 3.0188 4.1911 4.5385 1.7458 5.9171 1.7416 4.8313 5.1356
H14 2.6541 4.0226 2.1362 4.9589 1.0702 4.1911 4.5385 2.4659 3.0188 5.9171 1.7458 5.1356 4.8313 1.7416
H15 2.6541 4.0226 2.1362 4.9589 1.0702 4.5385 4.1911 3.0188 2.4659 5.9171 1.7458 4.8313 5.1356 1.7416
Maximum atom distance is 6.6160Å between atoms H10 and H11.
picture of Ethoxy ethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 C4 108.051 O1 C3 C5 108.051
C2 O1 C3 109.085
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H6 108.836 O1 C2 H7 108.836
O1 C3 H8 108.836 O1 C3 H9 108.836
C2 C4 H10 109.269 C2 C4 H12 109.730
C2 C4 H13 109.730 C3 C5 H11 109.269
C3 C5 H14 109.730 C3 C5 H15 109.730
C4 C2 H6 110.623 C4 C2 H7 110.623
C5 C3 H8 110.623 C5 C3 H9 110.623
H6 C2 H7 109.816 H8 C3 H9 109.816
H10 C4 H12 109.591 H10 C4 H13 109.591
H11 C5 H14 109.591 H11 C5 H15 109.591
H12 C4 H13 108.918 H14 C5 H15 108.918

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