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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

QCISD/6-311G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.7216 -0.2499 -0.2990   -1.7233 -0.1539 0.3496
C2 0.5444 0.5246 0.3114   -0.5418 0.4194 -0.4463
C3 -0.7201 -0.2961 0.3495   0.7203 -0.3826 -0.2512
C4 -1.8578 0.0183 -0.2844   1.8570 0.0921 0.2757
H5 -0.6759 -1.2197 0.9335   0.6751 -1.4315 -0.5575
H6 1.4999 -0.5395 -1.3328   -1.5059 -0.1471 1.4240
H7 2.6357 0.3557 -0.3017   -2.6355 0.4309 0.1812
H8 1.9278 -1.1655 0.2693   -1.9306 -1.1904 0.0555
H9 0.8056 0.8337 1.3345   -0.7986 0.4344 -1.5161
H10 0.3637 1.4451 -0.2597   -0.3600 1.4614 -0.1510
H11 -1.9469 0.9270 -0.8789   1.9470 1.1295 0.5964
H12 -2.7380 -0.6186 -0.2288   2.7353 -0.5372 0.4017
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12
C1 1.5356 2.5268 3.5895 2.8649 1.0963 1.0966 1.0972 2.1637 2.1722 3.8961 4.4753
C2 1.5356 1.5080 2.5263 2.2178 2.1791 2.1858 2.1845 1.1003 1.0982 2.7902 3.5175
C3 2.5268 1.5080 1.3398 1.0936 2.7961 3.4800 2.7882 2.1388 2.1395 2.1236 2.1237
C4 3.5895 2.5263 1.3398 2.1006 3.5615 4.5062 4.0049 3.2217 2.6404 1.0896 1.0878
H5 2.8649 2.2178 1.0936 2.1006 3.2145 3.8697 2.6877 2.5636 3.0993 3.0835 2.4422
H6 1.0963 2.1791 2.7961 3.5615 3.2145 1.7762 1.7725 3.0794 2.5261 3.7732 4.3800
H7 1.0966 2.1858 3.4800 4.5062 3.8697 1.7762 1.7724 2.5010 2.5200 4.6540 5.4618
H8 1.0972 2.1845 2.7882 4.0049 2.6877 1.7725 1.7724 2.5281 3.0890 4.5509 4.7240
H9 2.1637 1.1003 2.1388 3.2217 2.5636 3.0794 2.5010 2.5281 1.7637 3.5333 4.1364
H10 2.1722 1.0982 2.1395 2.6404 3.0993 2.5261 2.5200 3.0890 1.7637 2.4476 3.7256
H11 3.8961 2.7902 2.1236 1.0896 3.0835 3.7732 4.6540 4.5509 3.5333 2.4476 1.8540
H12 4.4753 3.5175 2.1237 1.0878 2.4422 4.3800 5.4618 4.7240 4.1364 3.7256 1.8540
Maximum atom distance is 5.4618Å 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 112.234 C2 C3 C4 124.921
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H9 109.232 C1 C2 H10 110.012
C2 C1 H6 110.675 C2 C1 H7 111.189
C2 C1 H8 111.045 C2 C3 H5 116.053
C3 C2 H9 109.172 C3 C2 H10 109.348
C3 C4 H11 121.551 C3 C4 H12 121.706
C4 C3 H5 119.019 H6 C1 H7 108.190
H6 C1 H8 107.815 H7 C1 H8 107.790
H9 C2 H10 106.684 H11 C4 H12 116.743

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