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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

MP3=FULL/6-31+G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.7199 -0.2426 -0.2970   -1.7217 -0.1417 0.3479
C2 0.5399 0.5183 0.3129   -0.5372 0.4055 -0.4527
C3 -0.7165 -0.3050 0.3394   0.7166 -0.3923 -0.2327
C4 -1.8542 0.0235 -0.2791   1.8533 0.0999 0.2677
H5 -0.6676 -1.2348 0.8963   0.6665 -1.4440 -0.4942
H6 1.5033 -0.5239 -1.3260   -1.5093 -0.1109 1.4151
H7 2.6220 0.3664 -0.2918   -2.6218 0.4413 0.1615
H8 1.9258 -1.1537 0.2634   -1.9287 -1.1762 0.0770
H9 0.7959 0.8167 1.3319   -0.7889 0.3941 -1.5155
H10 0.3573 1.4345 -0.2496   -0.3534 1.4456 -0.1814
H11 -1.9437 0.9398 -0.8462   1.9440 1.1416 0.5430
H12 -2.7273 -0.6098 -0.2345   2.7245 -0.5207 0.4133
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12
C1 1.5309 2.5190 3.5841 2.8476 1.0885 1.0885 1.0893 2.1516 2.1614 3.8887 4.4628
C2 1.5309 1.5023 2.5153 2.2071 2.1680 2.1735 2.1723 1.0922 1.0905 2.7730 3.4995
C3 2.5190 1.5023 1.3359 1.0849 2.7837 3.4634 2.7764 2.1285 2.1273 2.1121 2.1131
C4 3.5841 2.5153 1.3359 2.0911 3.5592 4.4894 3.9961 3.2012 2.6234 1.0813 1.0795
H5 2.8476 2.2071 1.0849 2.0911 3.1869 3.8467 2.6708 2.5573 3.0803 3.0648 2.4313
H6 1.0885 2.1680 2.7837 3.5592 3.1869 1.7647 1.7610 3.0597 2.5114 3.7755 4.3699
H7 1.0885 2.1735 3.4634 4.4894 3.8467 1.7647 1.7617 2.4847 2.5043 4.6349 5.4380
H8 1.0893 2.1723 2.7764 3.9961 2.6708 1.7610 1.7617 2.5102 3.0695 4.5373 4.7112
H9 2.1516 1.0922 2.1285 3.2012 2.5573 3.0597 2.4847 2.5102 1.7536 3.5021 4.1111
H10 2.1614 1.0905 2.1273 2.6234 3.0803 2.5114 2.5043 3.0695 1.7536 2.4280 3.7005
H11 3.8887 2.7730 2.1121 1.0813 3.0648 3.7755 4.6349 4.5373 3.5021 2.4280 1.8410
H12 4.4628 3.4995 2.1131 1.0795 2.4313 4.3699 5.4380 4.7112 4.1111 3.7005 1.8410
Maximum atom distance is 5.4380Å 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 112.293 C2 C3 C4 124.705
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H9 109.076 C1 C2 H10 109.948
C2 C1 H6 110.588 C2 C1 H7 111.029
C2 C1 H8 110.883 C2 C3 H5 116.165
C3 C2 H9 109.227 C3 C2 H10 109.235
C3 C4 H11 121.442 C3 C4 H12 121.694
C4 C3 H5 119.125 H6 C1 H7 108.308
H6 C1 H8 107.926 H7 C1 H8 107.991
H9 C2 H10 106.913 H11 C4 H12 116.864

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