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Geometry for C5H8 (Bicyclo[2.1.0]pentane) 1A' CS

1910171554
InChI=1S/C5H8/c1-2-5-3-4(1)5/h4-5H,1-3H2 INChIKey=MHLPKAGDPWUOOT-UHFFFAOYSA-N

B1B95/CEP-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2500 -0.5444 0.7709   0.6195 -0.5225 -0.5444
C2 -0.2500 -0.5444 -0.7709   -0.8082 0.0594 -0.5444
C3 -0.2500 0.9946 0.7845   0.6321 -0.5277 0.9946
C4 -0.2500 0.9946 -0.7845   -0.8209 0.0646 0.9946
C5 0.9586 -1.0367 0.0000   0.3618 0.8877 -1.0367
H6 -0.7997 -1.1912 1.4589   1.0491 -1.2912 -1.1912
H7 -0.7997 -1.1912 -1.4589   -1.6528 -0.1899 -1.1912
H8 0.6091 1.4685 1.2866   1.4213 0.0785 1.4685
H9 0.6091 1.4685 -1.2866   -0.9615 1.0497 1.4685
H10 -1.1781 1.4206 1.1928   0.6599 -1.5411 1.4206
H11 -1.1781 1.4206 -1.1928   -1.5492 -0.6407 1.4206
H12 1.8895 -0.4570 0.0000   0.7132 1.7498 -0.4570
H13 1.0968 -2.1221 0.0000   0.4140 1.0157 -2.1221
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13
C1 1.5418 1.5390 2.1881 1.5158 1.0926 2.3859 2.2485 3.0038 2.2137 2.9289 2.2759 2.2130
C2 1.5418 2.1881 1.5390 1.5158 2.3859 1.0926 3.0038 2.2485 2.9289 2.2137 2.2759 2.2130
C3 1.5390 2.1881 1.5690 2.4905 2.3526 3.1800 1.1022 2.2917 1.0997 2.2254 2.7020 3.4847
C4 2.1881 1.5390 1.5690 2.4905 3.1800 2.3526 2.2917 1.1022 2.2254 1.0997 2.7020 3.4847
C5 1.5158 1.5158 2.4905 2.4905 2.2900 2.2900 2.8378 2.8378 3.4679 3.4679 1.0966 1.0942
H6 1.0926 2.3859 2.3526 3.1800 2.2900 2.9178 3.0147 4.0738 2.6524 3.7411 3.1463 2.5674
H7 2.3859 1.0926 3.1800 2.3526 2.2900 2.9178 4.0738 3.0147 3.7411 2.6524 3.1463 2.5674
H8 2.2485 3.0038 1.1022 2.2917 2.8378 3.0147 4.0738 2.5731 1.7903 3.0567 2.6462 3.8451
H9 3.0038 2.2485 2.2917 1.1022 2.8378 4.0738 3.0147 2.5731 3.0567 1.7903 2.6462 3.8451
H10 2.2137 2.9289 1.0997 2.2254 3.4679 2.6524 3.7411 1.7903 3.0567 2.3855 3.7892 4.3759
H11 2.9289 2.2137 2.2254 1.0997 3.4679 3.7411 2.6524 3.0567 1.7903 2.3855 3.7892 4.3759
H12 2.2759 2.2759 2.7020 2.7020 1.0966 3.1463 3.1463 2.6462 2.6462 3.7892 3.7892 1.8441
H13 2.2130 2.2130 3.4847 3.4847 1.0942 2.5674 2.5674 3.8451 3.8451 4.3759 4.3759 1.8441
Maximum atom distance is 4.3759Å between atoms H10 and H13.
picture of Bicyclo[2.1.0]pentane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C4 90.507 C1 C2 C5 59.431
C1 C3 C4 89.493 C1 C5 C2 61.138
C2 C1 C3 90.507 C2 C1 C5 59.431
C2 C4 C3 89.493 C3 C1 C5 109.225
C4 C2 C5 109.225
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 129.026 C1 C3 H8 115.717
C1 C3 H10 112.994 C1 C5 H12 120.346
C1 C5 H13 115.017 C2 C1 H6 129.026
C2 C4 H9 115.717 C2 C4 H11 112.994
C2 C5 H12 120.346 C2 C5 H13 115.017
C3 C1 H6 125.901 C3 C4 H9 117.098
C3 C4 H11 111.792 C4 C2 H7 125.901
C4 C3 H8 117.098 C4 C3 H10 111.792
C5 C1 H6 121.945 C5 C2 H7 121.945
H8 C3 H10 108.796 H9 C4 H11 108.796
H12 C5 H13 114.656

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