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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

HF/6-311G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.1466   0.1466 0.0000 0.0000
C2 0.7528 0.0000 -1.1508   -1.1508 0.0000 0.7528
C3 -0.7528 0.0000 -1.1508   -1.1508 0.0000 -0.7528
C4 0.0000 1.2726 0.9686   0.9686 1.2726 0.0000
C5 0.0000 -1.2726 0.9686   0.9686 -1.2726 0.0000
H6 1.2582 0.9021 -1.4497   -1.4497 0.9021 1.2582
H7 1.2582 -0.9021 -1.4497   -1.4497 -0.9021 1.2582
H8 -1.2582 -0.9021 -1.4497   -1.4497 -0.9021 -1.2582
H9 -1.2582 0.9021 -1.4497   -1.4497 0.9021 -1.2582
H10 -0.8777 1.3242 1.6075   1.6075 1.3242 -0.8777
H11 -0.8777 -1.3242 1.6075   1.6075 -1.3242 -0.8777
H12 0.8777 -1.3242 1.6075   1.6075 -1.3242 0.8777
H13 0.8777 1.3242 1.6075   1.6075 1.3242 0.8777
H14 0.0000 2.1554 0.3380   0.3380 2.1554 0.0000
H15 0.0000 -2.1554 0.3380   0.3380 -2.1554 0.0000
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13 H14 H15
C1 1.5000 1.5000 1.5149 1.5149 2.2237 2.2237 2.2237 2.2237 2.1582 2.1582 2.1582 2.1582 2.1639 2.1639
C2 1.5000 1.5057 2.5842 2.5842 1.0763 1.0763 2.2243 2.2243 3.4670 3.4670 3.0622 3.0622 2.7256 2.7256
C3 1.5000 1.5057 2.5842 2.5842 2.2243 2.2243 1.0763 1.0763 3.0622 3.0622 3.4670 3.4670 2.7256 2.7256
C4 1.5149 2.5842 2.5842 2.5452 2.7510 3.4871 3.4871 2.7510 1.0868 2.8146 2.8146 1.0868 1.0849 3.4855
C5 1.5149 2.5842 2.5842 2.5452 3.4871 2.7510 2.7510 3.4871 2.8146 1.0868 1.0868 2.8146 3.4855 1.0849
H6 2.2237 1.0763 2.2243 2.7510 3.4871 1.8042 3.0963 2.5164 3.7532 4.3433 3.8010 3.1095 2.5198 3.7586
H7 2.2237 1.0763 2.2243 3.4871 2.7510 1.8042 2.5164 3.0963 4.3433 3.7532 3.1095 3.8010 3.7586 2.5198
H8 2.2237 2.2243 1.0763 3.4871 2.7510 3.0963 2.5164 1.8042 3.8010 3.1095 3.7532 4.3433 3.7586 2.5198
H9 2.2237 2.2243 1.0763 2.7510 3.4871 2.5164 3.0963 1.8042 3.1095 3.8010 4.3433 3.7532 2.5198 3.7586
H10 2.1582 3.4670 3.0622 1.0868 2.8146 3.7532 4.3433 3.8010 3.1095 2.6485 3.1774 1.7554 1.7529 3.8065
H11 2.1582 3.4670 3.0622 2.8146 1.0868 4.3433 3.7532 3.1095 3.8010 2.6485 1.7554 3.1774 3.8065 1.7529
H12 2.1582 3.0622 3.4670 2.8146 1.0868 3.8010 3.1095 3.7532 4.3433 3.1774 1.7554 2.6485 3.8065 1.7529
H13 2.1582 3.0622 3.4670 1.0868 2.8146 3.1095 3.8010 4.3433 3.7532 1.7554 3.1774 2.6485 1.7529 3.8065
H14 2.1639 2.7256 2.7256 1.0849 3.4855 2.5198 3.7586 3.7586 2.5198 1.7529 3.8065 3.8065 1.7529 4.3108
H15 2.1639 2.7256 2.7256 3.4855 1.0849 3.7586 2.5198 2.5198 3.7586 3.8065 1.7529 1.7529 3.8065 4.3108
Maximum atom distance is 4.3433Å 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 59.876 C1 C3 C2 59.876
C2 C1 C3 60.249 C2 C1 C4 117.986
C2 C1 C5 117.986 C3 C1 C4 117.986
C3 C1 C5 117.986 C4 C1 C5 114.287
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 118.412 C1 C2 H7 118.412
C1 C3 H8 118.412 C1 C3 H9 118.412
C1 C4 H10 111.029 C1 C4 H13 111.029
C1 C4 H14 111.606 C1 C5 H11 111.029
C1 C5 H12 111.029 C1 C5 H15 111.606
C2 C3 H8 118.003 C2 C3 H9 118.003
C3 C2 H6 118.003 C3 C2 H7 118.003
H6 C2 H7 113.884 H8 C3 H9 113.884
H10 C4 H13 107.717 H10 C4 H14 107.640
H11 C5 H12 107.717 H11 C5 H15 107.640
H12 C5 H15 107.640 H13 C4 H14 107.640

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