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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/6-311G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.7046 -0.2617 -0.2998   -1.7064 -0.1450 0.3623
C2 0.5439 0.5332 0.3044   -0.5413 0.4035 -0.4658
C3 -0.7153 -0.2787 0.3695   0.7157 -0.3864 -0.2536
C4 -1.8426 0.0087 -0.2928   1.8416 0.1018 0.2812
H5 -0.6815 -1.1746 0.9906   0.6814 -1.4372 -0.5439
H6 1.4680 -0.5680 -1.3212   -1.4742 -0.0970 1.4285
H7 2.6212 0.3330 -0.3241   -2.6212 0.4258 0.1849
H8 1.9062 -1.1641 0.2830   -1.9087 -1.1890 0.1096
H9 0.8177 0.8609 1.3143   -0.8106 0.3795 -1.5284
H10 0.3626 1.4380 -0.2846   -0.3593 1.4519 -0.2081
H11 -1.9180 0.8901 -0.9230   1.9175 1.1419 0.5850
H12 -2.7205 -0.6240 -0.2221   2.7179 -0.5201 0.4272
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12
C1 1.5310 2.5108 3.5575 2.8622 1.0922 1.0928 1.0931 2.1569 2.1657 3.8521 4.4406
C2 1.5310 1.4996 2.5154 2.2111 2.1700 2.1795 2.1765 1.0965 1.0948 2.7740 3.5033
C3 2.5108 1.4996 1.3387 1.0907 2.7764 3.4622 2.7683 2.1310 2.1300 2.1174 2.1190
C4 3.5575 2.5154 1.3387 2.0965 3.5143 4.4756 3.9699 3.2227 2.6279 1.0862 1.0845
H5 2.8622 2.2111 1.0907 2.0965 3.2145 3.8612 2.6827 2.5486 3.0891 3.0748 2.4354
H6 1.0922 2.1700 2.7764 3.5143 3.2145 1.7708 1.7666 3.0677 2.5141 3.7081 4.3307
H7 1.0928 2.1795 3.4622 4.4756 3.8612 1.7708 1.7667 2.4931 2.5147 4.6123 5.4277
H8 1.0931 2.1765 2.7683 3.9699 2.6827 1.7666 1.7667 2.5198 3.0783 4.5055 4.6855
H9 2.1569 1.0965 2.1310 3.2227 2.5486 3.0677 2.4931 2.5198 1.7598 3.5342 4.1333
H10 2.1657 1.0948 2.1300 2.6279 3.0891 2.5141 2.5147 3.0783 1.7598 2.4308 3.7097
H11 3.8521 2.7740 2.1174 1.0862 3.0748 3.7081 4.6123 4.5055 3.5342 2.4308 1.8515
H12 4.4406 3.5033 2.1190 1.0845 2.4354 4.3307 5.4277 4.6855 4.1333 3.7097 1.8515
Maximum atom distance is 5.4277Å 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 111.876 C2 C3 C4 124.707
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H9 109.232 C1 C2 H10 110.016
C2 C1 H6 110.515 C2 C1 H7 111.229
C2 C1 H8 110.976 C2 C3 H5 116.324
C3 C2 H9 109.357 C3 C2 H10 109.377
C3 C4 H11 121.315 C3 C4 H12 121.617
C4 C3 H5 118.956 H6 C1 H7 108.273
H6 C1 H8 107.877 H7 C1 H8 107.843
H9 C2 H10 106.850 H11 C4 H12 117.068

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