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Geometry for C5H10 (2-Butene, 2-methyl-) 1A' CS

1910171554
InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3 INChIKey=BKOOMYPCSUNDGP-UHFFFAOYSA-N

B3LYP/LANL2DZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.5179 0.4974 0.0000   0.3075 -1.5675 0.0000
H2 -1.9765 -0.4956 0.0000   -0.7343 -1.9008 0.0000
H3 -1.8883 1.0404 0.8829   0.8010 -2.0016 0.8829
H4 -1.8883 1.0404 -0.8829   0.8010 -2.0016 -0.8829
C5 0.2691 -2.1146 0.0000   -2.0656 0.5265 0.0000
H6 0.6492 -2.6495 -0.8831   -2.5499 0.9693 -0.8831
H7 0.6492 -2.6495 0.8831   -2.5499 0.9693 0.8831
H8 -0.8220 -2.2037 0.0000   -2.2879 -0.5455 0.0000
C9 0.7449 -0.6769 0.0000   -0.5804 0.8223 0.0000
H10 1.8318 -0.5606 0.0000   -0.3317 1.8867 0.0000
C11 0.0000 0.4558 0.0000   0.4524 -0.0559 0.0000
C12 0.6640 1.8242 0.0000   1.8919 0.4353 0.0000
H13 1.7575 1.7456 0.0000   1.9480 1.5301 0.0000
H14 0.3633 2.4083 0.8831   2.4347 0.0652 0.8831
H15 0.3633 2.4083 -0.8831   2.4347 0.0652 -0.8831
Atom - Atom Distances (Å)
  C1 H2 H3 H4 C5 H6 H7 H8 C9 H10 C11 C12 H13 H14 H15
C1 1.0938 1.1006 1.1006 3.1648 3.9217 3.9217 2.7894 2.5495 3.5128 1.5185 2.5537 3.5052 2.8232 2.8232
H2 1.0938 1.7739 1.7739 2.7684 3.5090 3.5090 2.0617 2.7275 3.8088 2.1936 3.5148 4.3550 3.8324 3.8324
H3 1.1006 1.7739 1.7657 3.9227 4.8138 4.4782 3.5271 3.2653 4.1450 2.1649 2.8121 3.8168 2.6346 3.1717
H4 1.1006 1.7739 1.7657 3.9227 4.4782 4.8138 3.5271 3.2653 4.1450 2.1649 2.8121 3.8168 3.1717 2.6346
C5 3.1648 2.7684 3.9227 3.9227 1.1002 1.1002 1.0948 1.5143 2.2038 2.5844 3.9585 4.1372 4.6093 4.6093
H6 3.9217 3.5090 4.8138 4.4782 1.1002 1.7661 1.7729 2.1633 2.5577 3.2931 4.5600 4.6179 5.3650 5.0659
H7 3.9217 3.5090 4.4782 4.8138 1.1002 1.7661 1.7729 2.1633 2.5577 3.2931 4.5600 4.6179 5.0659 5.3650
H8 2.7894 2.0617 3.5271 3.5271 1.0948 1.7729 1.7729 2.1878 3.1213 2.7837 4.2933 4.7171 4.8431 4.8431
C9 2.5495 2.7275 3.2653 3.2653 1.5143 2.1633 2.1633 2.1878 1.0931 1.3557 2.5024 2.6256 3.2318 3.2318
H10 3.5128 3.8088 4.1450 4.1450 2.2038 2.5577 2.5577 3.1213 1.0931 2.0949 2.6554 2.3074 3.4279 3.4279
C11 1.5185 2.1936 2.1649 2.1649 2.5844 3.2931 3.2931 2.7837 1.3557 2.0949 1.5210 2.1800 2.1735 2.1735
C12 2.5537 3.5148 2.8121 2.8121 3.9585 4.5600 4.5600 4.2933 2.5024 2.6554 1.5210 1.0963 1.1007 1.1007
H13 3.5052 4.3550 3.8168 3.8168 4.1372 4.6179 4.6179 4.7171 2.6256 2.3074 2.1800 1.0963 1.7785 1.7785
H14 2.8232 3.8324 2.6346 3.1717 4.6093 5.3650 5.0659 4.8431 3.2318 3.4279 2.1735 1.1007 1.7785 1.7663
H15 2.8232 3.8324 3.1717 2.6346 4.6093 5.0659 5.3650 4.8431 3.2318 3.4279 2.1735 1.1007 1.7785 1.7663
Maximum atom distance is 5.3650Å between atoms H6 and H14.
picture of 2-Butene, 2-methyl-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C11 C9 124.901 C1 C11 C12 114.314
C5 C9 C11 128.357 C9 C11 C12 120.785
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 107.868 H2 C1 H4 107.868
H2 C1 C11 113.215 H3 C1 H4 106.669
H3 C1 C11 110.478 H4 C1 C11 110.478
C5 C9 H10 114.422 H6 C5 H7 106.770
H6 C5 H8 107.742 H6 C5 C9 110.673
H7 C5 H8 107.742 H7 C5 C9 110.673
H8 C5 C9 112.982 H10 C9 C11 117.221
C11 C12 H13 111.772 C11 C12 H14 110.989
C11 C12 H15 110.989 H13 C12 H14 108.091
H13 C12 H15 108.091 H14 C12 H15 106.708

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