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Geometry for C4H8O2 (Ethene, 1,1-dimethoxy-) 1A1 C2V

1910171554
InChI=1S/C4H8O2/c1-4(5-2)6-3/h1H2,2-3H3 INChIKey=FJTRNRFAIZEJJJ-UHFFFAOYSA-N

MP2/cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 1.4199   1.4199 0.0000 0.0000
C2 0.0000 0.0000 0.0626   0.0626 0.0000 0.0000
H3 0.0000 0.9328 1.9790   1.9790 0.0000 0.9328
H4 0.0000 -0.9328 1.9790   1.9790 0.0000 -0.9328
O5 0.0000 1.0805 -0.7521   -0.7521 0.0000 1.0805
O6 0.0000 -1.0805 -0.7521   -0.7521 0.0000 -1.0805
C7 0.0000 2.3413 -0.0964   -0.0964 0.0000 2.3413
C8 0.0000 -2.3413 -0.0964   -0.0964 0.0000 -2.3413
H9 0.0000 3.0942 -0.8954   -0.8954 0.0000 3.0942
H10 0.0000 -3.0942 -0.8954   -0.8954 0.0000 -3.0942
H11 -0.8995 2.4658 0.5317   0.5317 -0.8995 2.4658
H12 0.8995 2.4658 0.5317   0.5317 0.8995 2.4658
H13 0.8995 -2.4658 0.5317   0.5317 0.8995 -2.4658
H14 -0.8995 -2.4658 0.5317   0.5317 -0.8995 -2.4658
Atom - Atom Distances (Å)
  C1 C2 H3 H4 O5 O6 C7 C8 H9 H10 H11 H12 H13 H14
C1 1.3573 1.0875 1.0875 2.4259 2.4259 2.7894 2.7894 3.8645 3.8645 2.7710 2.7710 2.7710 2.7710
C2 1.3573 2.1314 2.1314 1.3532 1.3532 2.3467 2.3467 3.2391 3.2391 2.6664 2.6664 2.6664 2.6664
H3 1.0875 2.1314 1.8657 2.7351 3.3930 2.5082 3.8765 3.5963 4.9476 2.2921 2.2921 3.8019 3.8019
H4 1.0875 2.1314 1.8657 3.3930 2.7351 3.8765 2.5082 4.9476 3.5963 3.8019 3.8019 2.2921 2.2921
O5 2.4259 1.3532 2.7351 3.3930 2.1611 1.4211 3.4841 2.0187 4.1772 2.0920 2.0920 3.8774 3.8774
O6 2.4259 1.3532 3.3930 2.7351 2.1611 3.4841 1.4211 4.1772 2.0187 3.8774 3.8774 2.0920 2.0920
C7 2.7894 2.3467 2.5082 3.8765 1.4211 3.4841 4.6826 1.0978 5.4939 1.1041 1.1041 4.9307 4.9307
C8 2.7894 2.3467 3.8765 2.5082 3.4841 1.4211 4.6826 5.4939 1.0978 4.9307 4.9307 1.1041 1.1041
H9 3.8645 3.2391 3.5963 4.9476 2.0187 4.1772 1.0978 5.4939 6.1883 1.8002 1.8002 5.8103 5.8103
H10 3.8645 3.2391 4.9476 3.5963 4.1772 2.0187 5.4939 1.0978 6.1883 5.8103 5.8103 1.8002 1.8002
H11 2.7710 2.6664 2.2921 3.8019 2.0920 3.8774 1.1041 4.9307 1.8002 5.8103 1.7990 5.2495 4.9317
H12 2.7710 2.6664 2.2921 3.8019 2.0920 3.8774 1.1041 4.9307 1.8002 5.8103 1.7990 4.9317 5.2495
H13 2.7710 2.6664 3.8019 2.2921 3.8774 2.0920 4.9307 1.1041 5.8103 1.8002 5.2495 4.9317 1.7990
H14 2.7710 2.6664 3.8019 2.2921 3.8774 2.0920 4.9307 1.1041 5.8103 1.8002 4.9317 5.2495 1.7990
Maximum atom distance is 6.1883Å between atoms H9 and H10.
picture of Ethene, 1,1-dimethoxy-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 O5 127.014 C1 C2 O6 127.014
C2 O5 C7 115.508 C2 O6 C8 115.508
O5 C2 O6 105.973
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H3 120.936 C2 C1 H4 120.936
H3 C1 H4 118.128 O5 C7 H9 105.816
O5 C7 H11 111.255 O5 C7 H12 111.255
O6 C8 H10 105.816 O6 C8 H13 111.255
O6 C8 H14 111.255 H9 C7 H11 109.676
H9 C7 H12 109.676 H10 C8 H13 109.676
H10 C8 H14 109.676 H11 C7 H12 109.109
H13 C8 H14 109.109

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