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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

MP2=FULL/daug-cc-pVDZ


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8757 0.0000   -0.6192 0.6192 0.0000
C2 0.7583 -0.4378 0.0000   0.8458 0.2266 0.0000
C3 -0.7583 -0.4378 0.0000   -0.2266 -0.8458 0.0000
H4 0.0000 1.4599 0.9195   -1.0323 1.0323 0.9195
H5 1.2643 -0.7299 0.9195   1.4102 0.3778 0.9195
H6 -1.2643 -0.7299 0.9195   -0.3778 -1.4102 0.9195
H7 0.0000 1.4599 -0.9195   -1.0323 1.0323 -0.9195
H8 1.2643 -0.7299 -0.9195   1.4102 0.3778 -0.9195
H9 -1.2643 -0.7299 -0.9195   -0.3778 -1.4102 -0.9195
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5167 1.5167 1.0894 2.2410 2.2410 1.0894 2.2410 2.2410
C2 1.5167 1.5167 2.2410 1.0894 2.2410 2.2410 1.0894 2.2410
C3 1.5167 1.5167 2.2410 2.2410 1.0894 2.2410 2.2410 1.0894
H4 1.0894 2.2410 2.2410 2.5286 2.5286 1.8390 3.1266 3.1266
H5 2.2410 1.0894 2.2410 2.5286 2.5286 3.1266 1.8390 3.1266
H6 2.2410 2.2410 1.0894 2.5286 2.5286 3.1266 3.1266 1.8390
H7 1.0894 2.2410 2.2410 1.8390 3.1266 3.1266 2.5286 2.5286
H8 2.2410 1.0894 2.2410 3.1266 1.8390 3.1266 2.5286 2.5286
H9 2.2410 2.2410 1.0894 3.1266 3.1266 1.8390 2.5286 2.5286
Maximum atom distance is 3.1266Å 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 117.674 C1 C2 H8 117.674
C1 C3 H6 117.674 C1 C3 H9 117.674
C2 C1 H4 117.673 C2 C1 H7 117.673
C2 C3 H6 117.674 C2 C3 H9 117.674
C3 C1 H4 117.673 C3 C1 H7 117.673
C3 C2 H5 117.674 C3 C2 H8 117.674
H4 C1 H7 115.138 H5 C2 H8 115.138
H6 C3 H9 115.138

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