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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/cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.7152 -0.2493 -0.3045   1.7159 -0.3337 -0.2028
C2 0.5448 0.5234 0.3168   0.5446 0.5964 0.1376
C3 -0.7155 -0.2964 0.3548   -0.7174 -0.1688 0.4272
C4 -1.8561 0.0205 -0.2880   -1.8549 -0.0705 -0.2876
H5 -0.6767 -1.2263 0.9392   -0.6827 -0.8666 1.2754
H6 1.4860 -0.5303 -1.3448   1.4902 -0.9286 -1.1022
H7 2.6377 0.3528 -0.3043   2.6395 0.2372 -0.3889
H8 1.9165 -1.1760 0.2580   1.9132 -1.0354 0.6243
H9 0.8166 0.8251 1.3449   0.8130 1.2071 1.0190
H10 0.3603 1.4521 -0.2502   0.3640 1.2985 -0.6944
H11 -1.9327 0.9366 -0.8830   -1.9275 0.6109 -1.1418
H12 -2.7385 -0.6226 -0.2344   -2.7388 -0.6633 -0.0375
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12
C1 1.5339 2.5190 3.5815 2.8675 1.1017 1.1016 1.1025 2.1639 2.1756 3.8792 4.4699
C2 1.5339 1.5040 2.5265 2.2228 2.1811 2.1898 2.1847 1.1054 1.1036 2.7836 3.5211
C3 2.5190 1.5040 1.3470 1.0989 2.7911 3.4785 2.7767 2.1414 2.1402 2.1293 2.1322
C4 3.5815 2.5265 1.3470 2.1098 3.5482 4.5061 3.9952 3.2337 2.6388 1.0951 1.0932
H5 2.8675 2.2228 1.0989 2.1098 3.2216 3.8763 2.6816 2.5696 3.1087 3.0945 2.4480
H6 1.1017 2.1811 2.7911 3.5482 3.2216 1.7858 1.7808 3.0854 2.5289 3.7487 4.3690
H7 1.1016 2.1898 3.4785 4.5061 3.8763 1.7858 1.7815 2.5019 2.5294 4.6437 5.4645
H8 1.1025 2.1847 2.7767 3.9952 2.6816 1.7808 1.7815 2.5289 3.0962 4.5366 4.7136
H9 2.1639 1.1054 2.1414 3.2337 2.5696 3.0854 2.5019 2.5289 1.7736 3.5404 4.1508
H10 2.1756 1.1036 2.1402 2.6388 3.1087 2.5289 2.5294 3.0962 1.7736 2.4339 3.7293
H11 3.8792 2.7836 2.1293 1.0951 3.0945 3.7487 4.6437 4.5366 3.5404 2.4339 1.8712
H12 4.4699 3.5211 2.1322 1.0932 2.4480 4.3690 5.4645 4.7136 4.1508 3.7293 1.8712
Maximum atom distance is 5.4645Å 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 112.025 C2 C3 C4 124.699
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H9 109.063 C1 C2 H10 110.082
C2 C1 H6 110.623 C2 C1 H7 111.318
C2 C1 H8 110.858 C2 C3 H5 116.429
C3 C2 H9 109.351 C3 C2 H10 109.363
C3 C4 H11 121.019 C3 C4 H12 121.447
C4 C3 H5 118.861 H6 C1 H7 108.285
H6 C1 H8 107.778 H7 C1 H8 107.848
H9 C2 H10 106.816 H11 C4 H12 117.535

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