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Geometry for C5H10 (Cyclopropane, 1,1-dimethyl-) 1A1 C2V

1910171554
InChI=1S/C5H10/c1-5(2)3-4-5/h3-4H2,1-2H3 INChIKey=PBIJFSCPEFQXBB-UHFFFAOYSA-N

CCD/6-31G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.1499   0.1499 0.0000 0.0000
C2 0.7557 0.0000 -1.1539   -1.1539 0.0000 0.7557
C3 -0.7557 0.0000 -1.1539   -1.1539 0.0000 -0.7557
C4 0.0000 1.2748 0.9709   0.9709 1.2748 0.0000
C5 0.0000 -1.2748 0.9709   0.9709 -1.2748 0.0000
H6 1.2663 0.9130 -1.4539   -1.4539 0.9130 1.2663
H7 1.2663 -0.9130 -1.4539   -1.4539 -0.9130 1.2663
H8 -1.2663 -0.9130 -1.4539   -1.4539 -0.9130 -1.2663
H9 -1.2663 0.9130 -1.4539   -1.4539 0.9130 -1.2663
H10 -0.8881 1.3257 1.6152   1.6152 1.3257 -0.8881
H11 -0.8881 -1.3257 1.6152   1.6152 -1.3257 -0.8881
H12 0.8881 -1.3257 1.6152   1.6152 -1.3257 0.8881
H13 0.8881 1.3257 1.6152   1.6152 1.3257 0.8881
H14 0.0000 2.1619 0.3257   0.3257 2.1619 0.0000
H15 0.0000 -2.1619 0.3257   0.3257 -2.1619 0.0000
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13 H14 H15
C1 1.5069 1.5069 1.5163 1.5163 2.2381 2.2381 2.2381 2.2381 2.1665 2.1665 2.1665 2.1665 2.1690 2.1690
C2 1.5069 1.5113 2.5905 2.5905 1.0883 1.0883 2.2387 2.2387 3.4824 3.4824 3.0729 3.0729 2.7265 2.7265
C3 1.5069 1.5113 2.5905 2.5905 2.2387 2.2387 1.0883 1.0883 3.0729 3.0729 3.4824 3.4824 2.7265 2.7265
C4 1.5163 2.5905 2.5905 2.5496 2.7594 3.5028 3.5028 2.7594 1.0984 2.8225 2.8225 1.0984 1.0969 3.4967
C5 1.5163 2.5905 2.5905 2.5496 3.5028 2.7594 2.7594 3.5028 2.8225 1.0984 1.0984 2.8225 3.4967 1.0969
H6 2.2381 1.0883 2.2387 2.7594 3.5028 1.8260 3.1222 2.5326 3.7725 4.3673 3.8177 3.1198 2.5160 3.7717
H7 2.2381 1.0883 2.2387 3.5028 2.7594 1.8260 2.5326 3.1222 4.3673 3.7725 3.1198 3.8177 3.7717 2.5160
H8 2.2381 2.2387 1.0883 3.5028 2.7594 3.1222 2.5326 1.8260 3.8177 3.1198 3.7725 4.3673 3.7717 2.5160
H9 2.2381 2.2387 1.0883 2.7594 3.5028 2.5326 3.1222 1.8260 3.1198 3.8177 4.3673 3.7725 2.5160 3.7717
H10 2.1665 3.4824 3.0729 1.0984 2.8225 3.7725 4.3673 3.8177 3.1198 2.6514 3.1914 1.7763 1.7750 3.8229
H11 2.1665 3.4824 3.0729 2.8225 1.0984 4.3673 3.7725 3.1198 3.8177 2.6514 1.7763 3.1914 3.8229 1.7750
H12 2.1665 3.0729 3.4824 2.8225 1.0984 3.8177 3.1198 3.7725 4.3673 3.1914 1.7763 2.6514 3.8229 1.7750
H13 2.1665 3.0729 3.4824 1.0984 2.8225 3.1198 3.8177 4.3673 3.7725 1.7763 3.1914 2.6514 1.7750 3.8229
H14 2.1690 2.7265 2.7265 1.0969 3.4967 2.5160 3.7717 3.7717 2.5160 1.7750 3.8229 3.8229 1.7750 4.3237
H15 2.1690 2.7265 2.7265 3.4967 1.0969 3.7717 2.5160 2.5160 3.7717 3.8229 1.7750 1.7750 3.8229 4.3237
Maximum atom distance is 4.3673Å between atoms H6 and H11.
picture of Cyclopropane, 1,1-dimethyl-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 59.903 C1 C3 C2 59.903
C2 C1 C3 60.194 C2 C1 C4 117.935
C2 C1 C5 117.935 C3 C1 C4 117.935
C3 C1 C5 117.935 C4 C1 C5 114.431
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 118.284 C1 C2 H7 118.284
C1 C3 H8 118.284 C1 C3 H9 118.284
C1 C4 H10 110.891 C1 C4 H13 110.891
C1 C4 H14 111.188 C1 C5 H11 110.891
C1 C5 H12 110.891 C1 C5 H15 111.188
C2 C3 H8 117.983 C2 C3 H9 117.983
C3 C2 H6 117.983 C3 C2 H7 117.983
H6 C2 H7 114.057 H8 C3 H9 114.057
H10 C4 H13 107.912 H10 C4 H14 107.910
H11 C5 H12 107.912 H11 C5 H15 107.910
H12 C5 H15 107.910 H13 C4 H14 107.910

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