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Geometry for CH3CHCHCH3 (2-Butene, (E)-) 1Ag C2h

1910171554
InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+ INChIKey=IAQRGUVFOMOMEM-ONEGZZNKSA-N

BLYP/3-21G


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6720 0.0000   0.6672 -0.0800 0.0000
C2 0.0000 -0.6720 0.0000   -0.6672 0.0800 0.0000
C3 -1.2473 1.5420 0.0000   1.3826 -1.4220 0.0000
C4 1.2473 -1.5420 0.0000   -1.3826 1.4220 0.0000
H5 0.9581 1.2075 0.0000   1.3129 0.8076 0.0000
H6 -0.9581 -1.2075 0.0000   -1.3129 -0.8076 0.0000
H7 -2.1604 0.9244 0.0000   0.6608 -2.2550 0.0000
H8 2.1604 -0.9244 0.0000   -0.6608 2.2550 0.0000
H9 -1.2721 2.1987 0.8895   2.0317 -1.5247 0.8895
H10 -1.2721 2.1987 -0.8895   2.0317 -1.5247 -0.8895
H11 1.2721 -2.1987 0.8895   -2.0317 1.5247 0.8895
H12 1.2721 -2.1987 -0.8895   -2.0317 1.5247 -0.8895
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12
C1 1.3440 1.5208 2.5412 1.0976 2.1096 2.1751 2.6862 2.1772 2.1772 3.2635 3.2635
C2 1.3440 2.5412 1.5208 2.1096 1.0976 2.6862 2.1751 3.2635 3.2635 2.1772 2.1772
C3 1.5208 2.5412 3.9667 2.2307 2.7647 1.1023 4.2066 1.1059 1.1059 4.5969 4.5969
C4 2.5412 1.5208 3.9667 2.7647 2.2307 4.2066 1.1023 4.5969 4.5969 1.1059 1.1059
H5 1.0976 2.1096 2.2307 2.7647 3.0829 3.1313 2.4475 2.5976 2.5976 3.5344 3.5344
H6 2.1096 1.0976 2.7647 2.2307 3.0829 2.4475 3.1313 3.5344 3.5344 2.5976 2.5976
H7 2.1751 2.6862 1.1023 4.2066 3.1313 2.4475 4.6997 1.7900 1.7900 4.7251 4.7251
H8 2.6862 2.1751 4.2066 1.1023 2.4475 3.1313 4.6997 4.7251 4.7251 1.7900 1.7900
H9 2.1772 3.2635 1.1059 4.5969 2.5976 3.5344 1.7900 4.7251 1.7790 5.0803 5.3828
H10 2.1772 3.2635 1.1059 4.5969 2.5976 3.5344 1.7900 4.7251 1.7790 5.3828 5.0803
H11 3.2635 2.1772 4.5969 1.1059 3.5344 2.5976 4.7251 1.7900 5.0803 5.3828 1.7790
H12 3.2635 2.1772 4.5969 1.1059 3.5344 2.5976 4.7251 1.7900 5.3828 5.0803 1.7790
Maximum atom distance is 5.3828Å between atoms H9 and H12.
picture of 2-Butene, (E)-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C4 124.895 C2 C1 C3 124.895
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 119.202 C1 C3 H7 111.030
C1 C3 H9 110.980 C1 C3 H10 110.980
C2 C1 H5 119.202 C2 C4 H8 111.030
C2 C4 H11 110.980 C2 C4 H12 110.980
C3 C1 H5 115.903 C4 C2 H6 115.903
H7 C3 H9 108.311 H7 C3 H10 108.311
H8 C4 H11 108.311 H8 C4 H12 108.311
H9 C3 H10 107.086 H11 C4 H12 107.086

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