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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/6-31G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.7063 -0.2521 -0.3001   1.7070 -0.3357 -0.1962
C2 0.5409 0.5243 0.3102   0.5407 0.5958 0.1284
C3 -0.7139 -0.2909 0.3578   -0.7158 -0.1607 0.4289
C4 -1.8429 0.0163 -0.2877   -1.8418 -0.0758 -0.2858
H5 -0.6744 -1.2006 0.9484   -0.6804 -0.8335 1.2799
H6 1.4758 -0.5439 -1.3226   1.4801 -0.9394 -1.0724
H7 2.6154 0.3462 -0.3118   2.6172 0.2269 -0.3949
H8 1.9083 -1.1583 0.2686   1.9051 -1.0123 0.6336
H9 0.8106 0.8385 1.3211   0.8069 1.2169 0.9867
H10 0.3591 1.4336 -0.2643   0.3627 1.2734 -0.7078
H11 -1.9193 0.9122 -0.8882   -1.9140 0.5808 -1.1418
H12 -2.7180 -0.6136 -0.2321   -2.7182 -0.6543 -0.0353
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12
C1 1.5276 2.5083 3.5594 2.8507 1.0880 1.0883 1.0888 2.1494 2.1583 3.8531 4.4396
C2 1.5276 1.4971 2.5097 2.2045 2.1636 2.1730 2.1686 1.0924 1.0909 2.7639 3.4942
C3 2.5083 1.4971 1.3363 1.0854 2.7717 3.4552 2.7634 2.1278 2.1242 2.1101 2.1139
C4 3.5594 2.5097 1.3363 2.0915 3.5212 4.4706 3.9700 3.2102 2.6188 1.0813 1.0796
H5 2.8507 2.2045 1.0854 2.0915 3.1956 3.8475 2.6710 2.5499 3.0787 3.0638 2.4320
H6 1.0880 2.1636 2.7717 3.5212 3.1956 1.7642 1.7596 3.0566 2.5056 3.7196 4.3338
H7 1.0883 2.1730 3.4552 4.4706 3.8475 1.7642 1.7608 2.4831 2.5051 4.6060 5.4196
H8 1.0888 2.1686 2.7634 3.9700 2.6710 1.7596 1.7608 2.5100 3.0664 4.5028 4.6851
H9 2.1494 1.0924 2.1278 3.2102 2.5499 3.0566 2.4831 2.5100 1.7526 3.5127 4.1197
H10 2.1583 1.0909 2.1242 2.6188 3.0787 2.5056 2.5051 3.0664 1.7526 2.4191 3.6960
H11 3.8531 2.7639 2.1101 1.0813 3.0638 3.7196 4.6060 4.5028 3.5127 2.4191 1.8430
H12 4.4396 3.4942 2.1139 1.0796 2.4320 4.3338 5.4196 4.6851 4.1197 3.6960 1.8430
Maximum atom distance is 5.4196Å 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 112.047 C2 C3 C4 124.588
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H9 109.121 C1 C2 H10 109.906
C2 C1 H6 110.498 C2 C1 H7 111.228
C2 C1 H8 110.849 C2 C3 H5 116.307
C3 C2 H9 109.517 C3 C2 H10 109.322
C3 C4 H11 121.222 C3 C4 H12 121.725
C4 C3 H5 119.094 H6 C1 H7 108.319
H6 C1 H8 107.872 H7 C1 H8 107.955
H9 C2 H10 106.785 H11 C4 H12 117.053

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