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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

CCSD=FULL/cc-pVDZ


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8751 0.0000   0.6473 0.5889 0.0000
C2 0.7579 -0.4376 0.0000   -0.8337 0.2662 0.0000
C3 -0.7579 -0.4376 0.0000   0.1863 -0.8551 0.0000
H4 0.0000 1.4667 0.9207   1.0849 0.9870 0.9207
H5 1.2702 -0.7333 0.9207   -1.3972 0.4461 0.9207
H6 -1.2702 -0.7333 0.9207   0.3123 -1.4330 0.9207
H7 0.0000 1.4667 -0.9207   1.0849 0.9870 -0.9207
H8 1.2702 -0.7333 -0.9207   -1.3972 0.4461 -0.9207
H9 -1.2702 -0.7333 -0.9207   0.3123 -1.4330 -0.9207
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5158 1.5158 1.0943 2.2468 2.2468 1.0943 2.2468 2.2468
C2 1.5158 1.5158 2.2468 1.0943 2.2468 2.2468 1.0943 2.2468
C3 1.5158 1.5158 2.2468 2.2468 1.0943 2.2468 2.2468 1.0943
H4 1.0943 2.2468 2.2468 2.5403 2.5403 1.8414 3.1375 3.1375
H5 2.2468 1.0943 2.2468 2.5403 2.5403 3.1375 1.8414 3.1375
H6 2.2468 2.2468 1.0943 2.5403 2.5403 3.1375 3.1375 1.8414
H7 1.0943 2.2468 2.2468 1.8414 3.1375 3.1375 2.5403 2.5403
H8 2.2468 1.0943 2.2468 3.1375 1.8414 3.1375 2.5403 2.5403
H9 2.2468 2.2468 1.0943 3.1375 3.1375 1.8414 2.5403 2.5403
Maximum atom distance is 3.1375Å 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 117.912 C1 C2 H8 117.912
C1 C3 H6 117.912 C1 C3 H9 117.912
C2 C1 H4 117.912 C2 C1 H7 117.912
C2 C3 H6 117.912 C2 C3 H9 117.912
C3 C1 H4 117.912 C3 C1 H7 117.912
C3 C2 H5 117.912 C3 C2 H8 117.912
H4 C1 H7 114.560 H5 C2 H8 114.560
H6 C3 H9 114.560

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