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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

MP4/3-21G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.7276 -0.2834 -0.2944   -1.7295 -0.1883 0.3536
C2 0.5504 0.5614 0.2888   -0.5476 0.4624 -0.4334
C3 -0.7289 -0.2663 0.3863   0.7293 -0.3634 -0.2958
C4 -1.8606 -0.0068 -0.2959   1.8595 0.0701 0.2941
H5 -0.6787 -1.1365 1.0486   0.6785 -1.3813 -0.6955
H6 1.4685 -0.6389 -1.3015   -1.4749 -0.2557 1.4206
H7 2.6464 0.3175 -0.3559   -2.6465 0.4086 0.2449
H8 1.9228 -1.1578 0.3438   -1.9255 -1.2034 -0.0222
H9 0.8292 0.9339 1.2881   -0.8219 0.5483 -1.4976
H10 0.3674 1.4366 -0.3551   -0.3638 1.4798 -0.0523
H11 -1.9395 0.8511 -0.9668   1.9391 1.0784 0.7054
H12 -2.7472 -0.6350 -0.2094   2.7443 -0.5599 0.3861
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12
C1 1.5620 2.5492 3.5988 2.8848 1.0990 1.0995 1.1000 2.1894 2.1937 3.8971 4.4894
C2 1.5620 1.5268 2.5450 2.2296 2.1938 2.2065 2.2006 1.1023 1.1019 2.8035 3.5430
C3 2.5492 1.5268 1.3466 1.0947 2.7957 3.5049 2.7979 2.1637 2.1568 2.1318 2.1363
C4 3.5988 2.5450 1.3466 2.1168 3.5346 4.5190 4.0060 3.2602 2.6553 1.0919 1.0900
H5 2.8848 2.2296 1.0947 2.1168 3.2220 3.8915 2.6954 2.5725 3.1122 3.0987 2.4723
H6 1.0990 2.1938 2.7957 3.5346 3.2220 1.7878 1.7840 3.0965 2.5330 3.7346 4.3549
H7 1.0995 2.2065 3.5049 4.5190 3.8915 1.7878 1.7860 2.5268 2.5390 4.6571 5.4790
H8 1.1000 2.2006 2.7979 4.0060 2.6954 1.7840 1.7860 2.5422 3.1047 4.5465 4.7316
H9 2.1894 1.1023 2.1637 3.2602 2.5725 3.0965 2.5268 2.5422 1.7794 3.5717 4.1826
H10 2.1937 1.1019 2.1568 2.6553 3.1122 2.5330 2.5390 3.1047 1.7794 2.4574 3.7434
H11 3.8971 2.8035 2.1318 1.0919 3.0987 3.7346 4.6571 4.5465 3.5717 2.4574 1.8532
H12 4.4894 3.5430 2.1363 1.0900 2.4723 4.3549 5.4790 4.7316 4.1826 3.7434 1.8532
Maximum atom distance is 5.4790Å 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 111.231 C2 C3 C4 124.563
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H9 109.304 C1 C2 H10 109.665
C2 C1 H6 109.843 C2 C1 H7 110.799
C2 C1 H8 110.306 C2 C3 H5 115.539
C3 C2 H9 109.710 C3 C2 H10 109.195
C3 C4 H11 121.563 C3 C4 H12 122.157
C4 C3 H5 119.882 H6 C1 H7 108.818
H6 C1 H8 108.442 H7 C1 H8 108.577
H9 C2 H10 107.663 H11 C4 H12 116.280

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