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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

mPW1PW91/3-21G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.7031 -0.2828 -0.2906   1.7040 -0.3635 -0.1709
C2 0.5426 0.5577 0.2825   0.5421 0.6202 0.0818
C3 -0.7189 -0.2579 0.3832   -0.7210 -0.1147 0.4440
C4 -1.8367 -0.0094 -0.2929   -1.8354 -0.1073 -0.2816
H5 -0.6694 -1.1187 1.0490   -0.6757 -0.7025 1.3600
H6 1.4545 -0.6289 -1.2983   1.4595 -1.0274 -1.0055
H7 2.6248 0.3060 -0.3384   2.6267 0.1754 -0.4089
H8 1.8882 -1.1610 0.3374   1.8850 -0.9804 0.7160
H9 0.8244 0.9242 1.2788   0.8198 1.2995 0.8991
H10 0.3665 1.4319 -0.3545   0.3701 1.2303 -0.8121
H11 -1.9141 0.8392 -0.9666   -1.9085 0.4664 -1.2011
H12 -2.7156 -0.6382 -0.1996   -2.7155 -0.6687 0.0129
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12
C1 1.5432 2.5141 3.5503 2.8499 1.0940 1.0948 1.0954 2.1662 2.1750 3.8471 4.4338
C2 1.5432 1.5056 2.5127 2.2060 2.1768 2.1873 2.1834 1.0984 1.0959 2.7704 3.5040
C3 2.5141 1.5056 1.3298 1.0893 2.7728 3.4668 2.7594 2.1404 2.1395 2.1105 2.1144
C4 3.5503 2.5127 1.3298 2.0962 3.4967 4.4729 3.9495 3.2285 2.6334 1.0863 1.0847
H5 2.8499 2.2060 1.0893 2.0962 3.2032 3.8479 2.6550 2.5411 3.0900 3.0733 2.4447
H6 1.0940 2.1768 2.7728 3.4967 3.2032 1.7790 1.7738 3.0742 2.5142 3.6896 4.3124
H7 1.0948 2.1873 3.4668 4.4729 3.8479 1.7790 1.7752 2.4979 2.5235 4.6131 5.4249
H8 1.0954 2.1834 2.7594 3.9495 2.6550 1.7738 1.7752 2.5231 3.0850 4.4898 4.6643
H9 2.1662 1.0984 2.1404 3.2285 2.5411 3.0742 2.4979 2.5231 1.7707 3.5424 4.1422
H10 2.1750 1.0959 2.1395 2.6334 3.0900 2.5142 2.5235 3.0850 1.7707 2.4346 3.7159
H11 3.8471 2.7704 2.1105 1.0863 3.0733 3.6896 4.6131 4.4898 3.5424 2.4346 1.8475
H12 4.4338 3.5040 2.1144 1.0847 2.4447 4.3124 5.4249 4.6643 4.1422 3.7159 1.8475
Maximum atom distance is 5.4249Å 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 111.093 C2 C3 C4 124.684
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H9 109.011 C1 C2 H10 109.844
C2 C1 H6 110.091 C2 C1 H7 110.880
C2 C1 H8 110.533 C2 C3 H5 115.520
C3 C2 H9 109.572 C3 C2 H10 109.654
C3 C4 H11 121.415 C3 C4 H12 121.936
C4 C3 H5 119.780 H6 C1 H7 108.738
H6 C1 H8 108.228 H7 C1 H8 108.297
H9 C2 H10 107.595 H11 C4 H12 116.649

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