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Geometry for C3H6 (Cyclopropane) 1A1' D3H

1910171554
InChI=1S/C3H6/c1-2-3-1/h1-3H2 INChIKey=LVZWSLJZHVFIQJ-UHFFFAOYSA-N

B3PW91/3-21G*


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8782 0.0000   0.0000 0.8782 0.0000
C2 0.7606 -0.4391 0.0000   0.7606 -0.4391 0.0000
C3 -0.7606 -0.4391 0.0000   -0.7606 -0.4391 0.0000
H4 0.0000 1.4600 0.9149   0.0000 1.4600 0.9149
H5 1.2644 -0.7300 0.9149   1.2644 -0.7300 0.9149
H6 -1.2644 -0.7300 0.9149   -1.2644 -0.7300 0.9149
H7 0.0000 1.4600 -0.9149   0.0000 1.4600 -0.9149
H8 1.2644 -0.7300 -0.9149   1.2644 -0.7300 -0.9149
H9 -1.2644 -0.7300 -0.9149   -1.2644 -0.7300 -0.9149
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5211 1.5211 1.0842 2.2410 2.2410 1.0842 2.2410 2.2410
C2 1.5211 1.5211 2.2410 1.0842 2.2410 2.2410 1.0842 2.2410
C3 1.5211 1.5211 2.2410 2.2410 1.0842 2.2410 2.2410 1.0842
H4 1.0842 2.2410 2.2410 2.5289 2.5289 1.8297 3.1214 3.1214
H5 2.2410 1.0842 2.2410 2.5289 2.5289 3.1214 1.8297 3.1214
H6 2.2410 2.2410 1.0842 2.5289 2.5289 3.1214 3.1214 1.8297
H7 1.0842 2.2410 2.2410 1.8297 3.1214 3.1214 2.5289 2.5289
H8 2.2410 1.0842 2.2410 3.1214 1.8297 3.1214 2.5289 2.5289
H9 2.2410 2.2410 1.0842 3.1214 3.1214 1.8297 2.5289 2.5289
Maximum atom distance is 3.1214Å between atoms H5 and H9.
picture of Cyclopropane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 60.000 C1 C3 C2 60.000
C2 C1 C3 60.000
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 117.694 C1 C2 H8 117.694
C1 C3 H6 117.694 C1 C3 H9 117.694
C2 C1 H4 117.694 C2 C1 H7 117.694
C2 C3 H6 117.694 C2 C3 H9 117.694
C3 C1 H4 117.694 C3 C1 H7 117.694
C3 C2 H5 117.694 C3 C2 H8 117.694
H4 C1 H7 115.089 H5 C2 H8 115.089
H6 C3 H9 115.089

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