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Geometry for C5H8 (Spiropentane) 1A1 D2D

1910171554
InChI=1S/C5H8/c1-2-5(1)3-4-5/h1-4H2 INChIKey=OGNAOIGAPPSUMG-UHFFFAOYSA-N

MP2/6-31G**


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.0000   0.0000 0.0000 0.0000
C2 0.0000 0.7624 1.2667   1.2667 0.7624 0.0000
C3 0.0000 -0.7624 1.2667   1.2667 -0.7624 0.0000
C4 -0.7624 0.0000 -1.2667   -1.2667 0.0000 -0.7624
C5 0.7624 0.0000 -1.2667   -1.2667 0.0000 0.7624
H6 0.9116 1.2620 1.5669   1.5669 1.2620 0.9116
H7 -0.9116 1.2620 1.5669   1.5669 1.2620 -0.9116
H8 -0.9116 -1.2620 1.5669   1.5669 -1.2620 -0.9116
H9 0.9116 -1.2620 1.5669   1.5669 -1.2620 0.9116
H10 -1.2620 -0.9116 -1.5669   -1.5669 -0.9116 -1.2620
H11 -1.2620 0.9116 -1.5669   -1.5669 0.9116 -1.2620
H12 1.2620 0.9116 -1.5669   -1.5669 0.9116 1.2620
H13 1.2620 -0.9116 -1.5669   -1.5669 -0.9116 1.2620
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13
C1 1.4785 1.4785 1.4785 1.4785 2.2088 2.2088 2.2088 2.2088 2.2088 2.2088 2.2088 2.2088
C2 1.4785 1.5248 2.7533 2.7533 1.0820 1.0820 2.2404 2.2404 3.5248 3.1055 3.1055 3.5248
C3 1.4785 1.5248 2.7533 2.7533 2.2404 2.2404 1.0820 1.0820 3.1055 3.5248 3.5248 3.1055
C4 1.4785 2.7533 2.7533 1.5248 3.5248 3.1055 3.1055 3.5248 1.0820 1.0820 2.2404 2.2404
C5 1.4785 2.7533 2.7533 1.5248 3.1055 3.5248 3.5248 3.1055 2.2404 2.2404 1.0820 1.0820
H6 2.2088 1.0820 2.2404 3.5248 3.1055 1.8231 3.1136 2.5240 4.3897 3.8299 3.1728 3.8299
H7 2.2088 1.0820 2.2404 3.1055 3.5248 1.8231 2.5240 3.1136 3.8299 3.1728 3.8299 4.3897
H8 2.2088 2.2404 1.0820 3.1055 3.5248 3.1136 2.5240 1.8231 3.1728 3.8299 4.3897 3.8299
H9 2.2088 2.2404 1.0820 3.5248 3.1055 2.5240 3.1136 1.8231 3.8299 4.3897 3.8299 3.1728
H10 2.2088 3.5248 3.1055 1.0820 2.2404 4.3897 3.8299 3.1728 3.8299 1.8231 3.1136 2.5240
H11 2.2088 3.1055 3.5248 1.0820 2.2404 3.8299 3.1728 3.8299 4.3897 1.8231 2.5240 3.1136
H12 2.2088 3.1055 3.5248 2.2404 1.0820 3.1728 3.8299 4.3897 3.8299 3.1136 2.5240 1.8231
H13 2.2088 3.5248 3.1055 2.2404 1.0820 3.8299 4.3897 3.8299 3.1728 2.5240 3.1136 1.8231
Maximum atom distance is 4.3897Å between atoms H6 and H10.
picture of Spiropentane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 58.957 C1 C3 C2 58.957
C1 C4 C5 58.957 C1 C5 C4 58.957
C2 C1 C3 62.086 C2 C1 C4 137.229
C2 C1 C5 137.229 C3 C1 C4 137.229
C3 C1 C5 137.229 C4 C1 C5 62.086
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 118.413 C1 C2 H7 118.413
C1 C3 H8 118.413 C1 C3 H9 118.413
C1 C4 H10 118.413 C1 C4 H11 118.413
C1 C5 H12 118.413 C1 C5 H13 118.413
C2 C3 H8 117.499 C2 C3 H9 117.499
C3 C2 H6 117.499 C3 C2 H7 117.499
C4 C5 H12 117.499 C4 C5 H13 117.499
C5 C4 H10 117.499 C5 C4 H11 117.499
H6 C2 H7 114.812 H8 C3 H9 114.812
H10 C4 H11 114.812 H12 C5 H13 114.812

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