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Geometry for CH3CHCHCH3 (2-Butene, (Z)-) 1A1 C2V

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

B97D3/6-311+G(3df,2p)


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6693 0.6654   0.6654 0.0000 0.6693
C2 0.0000 -0.6693 0.6654   0.6654 0.0000 -0.6693
C3 0.0000 1.5856 -0.5226   -0.5226 0.0000 1.5856
C4 0.0000 -1.5856 -0.5226   -0.5226 0.0000 -1.5856
H5 0.0000 1.1695 1.6347   1.6347 0.0000 1.1695
H6 0.0000 -1.1695 1.6347   1.6347 0.0000 -1.1695
H7 0.0000 1.0500 -1.4752   -1.4752 0.0000 1.0500
H8 0.0000 -1.0500 -1.4752   -1.4752 0.0000 -1.0500
H9 -0.8796 2.2423 -0.5081   -0.5081 -0.8796 2.2423
H10 0.8796 2.2423 -0.5081   -0.5081 0.8796 2.2423
H11 0.8796 -2.2423 -0.5081   -0.5081 0.8796 -2.2423
H12 -0.8796 -2.2423 -0.5081   -0.5081 -0.8796 -2.2423
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12
C1 1.3386 1.5003 2.5487 1.0907 2.0786 2.1742 2.7455 2.1506 2.1506 3.2601 3.2601
C2 1.3386 2.5487 1.5003 2.0786 1.0907 2.7455 2.1742 3.2601 3.2601 2.1506 2.1506
C3 1.5003 2.5487 3.1712 2.1971 3.4992 1.0928 2.8024 1.0977 1.0977 3.9276 3.9276
C4 2.5487 1.5003 3.1712 3.4992 2.1971 2.8024 1.0928 3.9276 3.9276 1.0977 1.0977
H5 1.0907 2.0786 2.1971 3.4992 2.3390 3.1122 3.8206 2.5527 2.5527 4.1237 4.1237
H6 2.0786 1.0907 3.4992 2.1971 2.3390 3.8206 3.1122 4.1237 4.1237 2.5527 2.5527
H7 2.1742 2.7455 1.0928 2.8024 3.1122 3.8206 2.1000 1.7693 1.7693 3.5423 3.5423
H8 2.7455 2.1742 2.8024 1.0928 3.8206 3.1122 2.1000 3.5423 3.5423 1.7693 1.7693
H9 2.1506 3.2601 1.0977 3.9276 2.5527 4.1237 1.7693 3.5423 1.7591 4.8172 4.4845
H10 2.1506 3.2601 1.0977 3.9276 2.5527 4.1237 1.7693 3.5423 1.7591 4.4845 4.8172
H11 3.2601 2.1506 3.9276 1.0977 4.1237 2.5527 3.5423 1.7693 4.8172 4.4845 1.7591
H12 3.2601 2.1506 3.9276 1.0977 4.1237 2.5527 3.5423 1.7693 4.4845 4.8172 1.7591
Maximum atom distance is 4.8172Å between atoms H9 and H11.
picture of 2-Butene, (Z)-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C4 129.742 C2 C1 C3 129.742
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 116.499 C1 C3 H7 113.981
C1 C3 H9 110.886 C1 C3 H10 110.886
C2 C1 H5 116.499 C2 C4 H8 113.981
C2 C4 H11 110.886 C2 C4 H12 110.886
C3 C1 H5 113.759 C4 C2 H6 113.759
H7 C3 H9 107.217 H7 C3 H10 107.217
H8 C4 H11 107.217 H8 C4 H12 107.217
H9 C3 H10 106.267 H11 C4 H12 106.267

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