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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

B3PW91/3-21G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.7088 -0.2797 -0.2920   1.7096 -0.3603 -0.1752
C2 0.5430 0.5551 0.2862   0.5425 0.6185 0.0894
C3 -0.7206 -0.2625 0.3793   -0.7227 -0.1226 0.4413
C4 -1.8420 -0.0066 -0.2921   -1.8407 -0.1028 -0.2823
H5 -0.6700 -1.1316 1.0369   -0.6764 -0.7258 1.3492
H6 1.4639 -0.6182 -1.3048   1.4689 -1.0142 -1.0205
H7 2.6303 0.3129 -0.3321   2.6323 0.1859 -0.4043
H8 1.8948 -1.1639 0.3299   1.8916 -0.9896 0.7047
H9 0.8232 0.9144 1.2874   0.8187 1.2883 0.9172
H10 0.3673 1.4358 -0.3446   0.3710 1.2415 -0.7976
H11 -1.9220 0.8501 -0.9579   -1.9164 0.4859 -1.1940
H12 -2.7219 -0.6373 -0.2028   -2.7219 -0.6688 0.0061
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12
C1 1.5460 2.5205 3.5613 2.8549 1.0956 1.0964 1.0969 2.1690 2.1783 3.8603 4.4460
C2 1.5460 1.5079 2.5175 2.2090 2.1808 2.1904 2.1874 1.1001 1.0974 2.7768 3.5101
C3 2.5205 1.5079 1.3319 1.0910 2.7812 3.4736 2.7669 2.1432 2.1429 2.1141 2.1177
C4 3.5613 2.5175 1.3319 2.0989 3.5112 4.4839 3.9611 3.2321 2.6390 1.0879 1.0863
H5 2.8549 2.2090 1.0910 2.0989 3.2095 3.8540 2.6607 2.5453 3.0945 3.0779 2.4477
H6 1.0956 2.1808 2.7812 3.5112 3.2095 1.7814 1.7764 3.0788 2.5186 3.7069 4.3285
H7 1.0964 2.1904 3.4736 4.4839 3.8540 1.7814 1.7777 2.5001 2.5263 4.6264 5.4375
H8 1.0969 2.1874 2.7669 3.9611 2.6607 1.7764 1.7777 2.5268 3.0898 4.5037 4.6771
H9 2.1690 1.1001 2.1432 3.2321 2.5453 3.0788 2.5001 2.5268 1.7729 3.5471 4.1469
H10 2.1783 1.0974 2.1429 2.6390 3.0945 2.5186 2.5263 3.0898 1.7729 2.4414 3.7231
H11 3.8603 2.7768 2.1141 1.0879 3.0779 3.7069 4.6264 4.5037 3.5471 2.4414 1.8500
H12 4.4460 3.5101 2.1177 1.0863 2.4477 4.3285 5.4375 4.6771 4.1469 3.7231 1.8500
Maximum atom distance is 5.4375Å 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 111.237 C2 C3 C4 124.763
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H9 108.943 C1 C2 H10 109.821
C2 C1 H6 110.122 C2 C1 H7 110.834
C2 C1 H8 110.559 C2 C3 H5 115.487
C3 C2 H9 109.531 C3 C2 H10 109.667
C3 C4 H11 121.450 C3 C4 H12 121.934
C4 C3 H5 119.736 H6 C1 H7 108.727
H6 C1 H8 108.236 H7 C1 H8 108.290
H9 C2 H10 107.564 H11 C4 H12 116.616

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