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Geometry for C5H10 (Cyclopentane) 1A C1

1910171554
InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2 INChIKey=RGSFGYAAUTVSQA-UHFFFAOYSA-N

G4
This model chemistry uses a geometry from B3LYP/6-31G(2df,p)


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.9855 -0.7841 0.2538   -1.0780 0.6515 -0.2530
C2 -0.3047 1.2558 0.1259   0.4635 -1.2061 -0.1277
C3 -1.3056 0.0685 0.0145   1.3036 0.0997 -0.0141
C4 -0.4372 -1.2094 -0.1536   0.2783 1.2553 0.1557
C5 1.0726 0.6672 -0.2406   -0.9781 -0.7998 0.2392
H6 -0.2813 1.6309 1.1550   0.4886 -1.5794 -1.1575
H7 -0.5824 2.1009 -0.5102   0.8473 -2.0095 0.5071
H8 -1.9870 0.1936 -0.8320   1.9952 0.0618 0.8324
H9 -1.9318 0.0062 0.9093   1.9168 0.2434 -0.9086
H10 -0.4353 -1.5255 -1.2031   0.2356 1.5668 1.2057
H11 -0.8127 -2.0543 0.4306   0.5422 2.1423 -0.4270
H12 1.7619 -1.4331 -0.1622   -1.9314 1.1947 0.1638
H13 1.0897 -0.8095 1.3462   -1.1844 0.6651 -1.3453
H14 1.2104 0.6761 -1.3293   -1.1137 -0.8280 1.3278
H15 1.9051 1.2269 0.1959   -1.7317 -1.4611 -0.1985
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13 H14 H15
C1 2.4171 2.4564 1.5399 1.5357 2.8721 3.3713 3.3122 3.0928 2.1659 2.2086 1.0941 1.0976 2.1654 2.2120
C2 2.4171 1.5569 2.4846 1.5420 1.0956 1.0935 2.2081 2.1961 3.0853 3.3627 3.4035 2.7748 2.1792 2.2110
C3 2.4564 1.5569 1.5542 2.4656 2.1888 2.2200 1.0938 1.0940 2.1865 2.2187 3.4199 2.8779 2.9163 3.4181
C4 1.5399 2.4846 1.5542 2.4101 3.1311 3.3326 2.1978 2.2003 1.0961 1.0936 2.2105 2.1773 2.7662 3.3977
C5 1.5357 1.5420 2.4656 2.4101 2.1701 2.2062 3.1519 3.2842 2.8298 3.3780 2.2119 2.1677 1.0974 1.0940
H6 2.8721 1.0956 2.1888 3.1311 2.1701 1.7563 2.9871 2.3290 3.9429 3.7931 3.9112 2.8057 3.0510 2.4214
H7 3.3713 1.0935 2.2200 3.3326 2.2062 1.7563 2.3904 2.8677 3.6949 4.2666 4.2551 3.8357 2.4321 2.7295
H8 3.3122 2.2081 1.0938 2.1978 3.1519 2.9871 2.3904 1.7522 2.3453 2.8330 4.1411 3.9008 3.2715 4.1560
H9 3.0928 2.1961 1.0940 2.2003 3.2842 2.3290 2.8677 1.7522 3.0079 2.3932 4.1065 3.1600 3.9158 4.0891
H10 2.1659 3.0853 2.1865 1.0961 2.8298 3.9429 3.6949 2.3453 3.0079 1.7581 2.4331 3.0557 2.7515 3.8743
H11 2.2086 3.3627 2.2187 1.0936 3.3780 3.7931 4.2666 2.8330 2.3932 1.7581 2.7140 2.4509 3.8268 4.2670
H12 1.0941 3.4035 3.4199 2.2105 2.2119 3.9112 4.2551 4.1411 4.1065 2.4331 2.7140 1.7652 2.4728 2.6878
H13 1.0976 2.7748 2.8779 2.1773 2.1677 2.8057 3.8357 3.9008 3.1600 3.0557 2.4509 1.7652 3.0627 2.4770
H14 2.1654 2.1792 2.9163 2.7662 1.0974 3.0510 2.4321 3.2715 3.9158 2.7515 3.8268 2.4728 3.0627 1.7642
H15 2.2120 2.2110 3.4181 3.3977 1.0940 2.4214 2.7295 4.1560 4.0891 3.8743 4.2670 2.6878 2.4770 1.7642
Maximum atom distance is 4.2670Å between atoms H11 and H15.
picture of Cyclopentane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 C3 105.112 C1 C5 C2 103.520
C2 C3 C4 106.010 C3 C2 C5 105.440
C4 C1 C5 103.189
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 H10 109.329 C1 C4 H11 112.905
C1 C5 H14 109.505 C1 C5 H15 113.477
C2 C3 H8 111.598 C2 C3 H9 110.684
C2 C5 H14 110.180 C2 C5 H15 112.915
C3 C2 H6 110.005 C3 C2 H7 112.601
C3 C4 H10 109.986 C3 C4 H11 112.677
C4 C1 H12 113.023 C4 C1 H13 110.168
C4 C3 H8 111.009 C4 C3 H9 111.173
C5 C1 H12 113.449 C5 C1 H13 109.692
C5 C2 H6 109.547 C5 C2 H7 112.546
H6 C2 H7 106.713 H8 C3 H9 106.447
H10 C4 H11 106.828 H12 C1 H13 107.296
H14 C5 H15 107.223

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