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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

CCD/6-31+G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.7237 -0.2414 -0.2970   -1.7255 -0.1439 0.3462
C2 0.5407 0.5176 0.3138   -0.5380 0.4090 -0.4494
C3 -0.7174 -0.3075 0.3370   0.7175 -0.3918 -0.2335
C4 -1.8588 0.0248 -0.2780   1.8579 0.0983 0.2672
H5 -0.6677 -1.2427 0.8893   0.6665 -1.4448 -0.4993
H6 1.5086 -0.5218 -1.3291   -1.5146 -0.1217 1.4163
H7 2.6272 0.3699 -0.2898   -2.6270 0.4425 0.1629
H8 1.9310 -1.1551 0.2632   -1.9339 -1.1782 0.0661
H9 0.7964 0.8161 1.3355   -0.7894 0.4072 -1.5149
H10 0.3577 1.4369 -0.2481   -0.3539 1.4492 -0.1695
H11 -1.9500 0.9463 -0.8406   1.9503 1.1410 0.5468
H12 -2.7332 -0.6106 -0.2348   2.7304 -0.5253 0.4087
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12
C1 1.5326 2.5230 3.5924 2.8511 1.0909 1.0909 1.0917 2.1549 2.1646 3.8991 4.4726
C2 1.5326 1.5047 2.5200 2.2113 2.1717 2.1771 2.1757 1.0948 1.0928 2.7785 3.5060
C3 2.5230 1.5047 1.3385 1.0872 2.7887 3.4696 2.7818 2.1333 2.1310 2.1161 2.1171
C4 3.5924 2.5200 1.3385 2.0947 3.5697 4.4993 4.0060 3.2061 2.6282 1.0835 1.0817
H5 2.8511 2.2113 1.0872 2.0947 3.1902 3.8532 2.6745 2.5654 3.0863 3.0706 2.4350
H6 1.0909 2.1717 2.7887 3.5697 3.1902 1.7683 1.7650 3.0656 2.5159 3.7889 4.3816
H7 1.0909 2.1771 3.4696 4.4993 3.8532 1.7683 1.7653 2.4886 2.5082 4.6462 5.4496
H8 1.0917 2.1757 2.7818 4.0060 2.6745 1.7650 1.7653 2.5146 3.0750 4.5494 4.7222
H9 2.1549 1.0948 2.1333 3.2061 2.5654 3.0656 2.4886 2.5146 1.7566 3.5064 4.1181
H10 2.1646 1.0928 2.1310 2.6282 3.0863 2.5159 2.5082 3.0750 1.7566 2.4325 3.7075
H11 3.8991 2.7785 2.1161 1.0835 3.0706 3.7889 4.6462 4.5494 3.5064 2.4325 1.8450
H12 4.4726 3.5060 2.1171 1.0817 2.4350 4.3816 5.4496 4.7222 4.1181 3.7075 1.8450
Maximum atom distance is 5.4496Å 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 112.334 C2 C3 C4 124.733
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H9 109.072 C1 C2 H10 109.939
C2 C1 H6 110.615 C2 C1 H7 111.046
C2 C1 H8 110.890 C2 C3 H5 116.185
C3 C2 H9 109.289 C3 C2 H10 109.220
C3 C4 H11 121.436 C3 C4 H12 121.676
C4 C3 H5 119.077 H6 C1 H7 108.276
H6 C1 H8 107.934 H7 C1 H8 107.962
H9 C2 H10 106.831 H11 C4 H12 116.887

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