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Geometry for CH2CHCH2CH3 (1-Butene) 1A C1

1910171554
InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3 INChIKey=VXNZUUAINFGPBY-UHFFFAOYSA-N

MP2=FULL/3-21G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.7148 -0.2958 -0.2883   -1.7167 -0.1849 0.3604
C2 0.5499 0.5692 0.2735   -0.5472 0.4531 -0.4433
C3 -0.7266 -0.2449 0.4016   0.7272 -0.3617 -0.2993
C4 -1.8478 -0.0190 -0.3007   1.8467 0.0744 0.2988
H5 -0.6859 -1.0794 1.1021   0.6863 -1.3761 -0.6967
H6 1.4516 -0.6718 -1.2818   -1.4581 -0.2245 1.4231
H7 2.6348 0.2932 -0.3658   -2.6351 0.3997 0.2418
H8 1.9036 -1.1525 0.3675   -1.9060 -1.2059 0.0118
H9 0.8353 0.9686 1.2554   -0.8279 0.5186 -1.5025
H10 0.3689 1.4219 -0.3933   -0.3657 1.4737 -0.0830
H11 -1.9185 0.8027 -1.0093   1.9176 1.0794 0.7083
H12 -2.7315 -0.6403 -0.1913   2.7288 -0.5509 0.3973
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12
C1 1.5558 2.5375 3.5734 2.8828 1.0944 1.0952 1.0953 2.1806 2.1847 3.8636 4.4606
C2 1.5558 1.5194 2.5348 2.2208 2.1845 2.1981 2.1922 1.0977 1.0974 2.7917 3.5280
C3 2.5375 1.5194 1.3421 1.0903 2.7858 3.4896 2.7826 2.1543 2.1471 2.1234 2.1278
C4 3.5734 2.5348 1.3421 2.1076 3.5036 4.4940 3.9755 3.2551 2.6455 1.0874 1.0857
H5 2.8828 2.2208 1.0903 2.1076 3.2277 3.8815 2.6927 2.5558 3.0992 3.0854 2.4596
H6 1.0944 2.1845 2.7858 3.5036 3.2277 1.7806 1.7764 3.0836 2.5190 3.6887 4.3230
H7 1.0952 2.1981 3.4896 4.4940 3.8815 1.7806 1.7784 2.5145 2.5316 4.6267 5.4497
H8 1.0953 2.1922 2.7826 3.9755 2.6927 1.7764 1.7784 2.5355 3.0922 4.5085 4.6966
H9 2.1806 1.0977 2.1543 3.2551 2.5558 3.0836 2.5145 2.5355 1.7723 3.5693 4.1717
H10 2.1847 1.0974 2.1471 2.6455 3.0992 2.5190 2.5316 3.0922 1.7723 2.4485 3.7290
H11 3.8636 2.7917 2.1234 1.0874 3.0854 3.6887 4.6267 4.5085 3.5693 2.4485 1.8473
H12 4.4606 3.5280 2.1278 1.0857 2.4596 4.3230 5.4497 4.6966 4.1717 3.7290 1.8473
Maximum atom distance is 5.4497Å between atoms H7 and H12.
picture of 1-Butene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 111.195 C2 C3 C4 124.583
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H9 109.310 C1 C2 H10 109.638
C2 C1 H6 109.807 C2 C1 H7 110.826
C2 C1 H8 110.349 C2 C3 H5 115.654
C3 C2 H9 109.750 C3 C2 H10 109.202
C3 C4 H11 121.495 C3 C4 H12 122.068
C4 C3 H5 119.742 H6 C1 H7 108.820
H6 C1 H8 108.431 H7 C1 H8 108.553
H9 C2 H10 107.676 H11 C4 H12 116.437

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