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Geometry for C6H12 (Cyclopentane, methyl-) 1A C1

1910171554
InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3 INChIKey=GDOPTJXRTPNYNR-UHFFFAOYSA-N

BLYP/6-311G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 0.7178 -0.0026 -1.4694   0.7125 0.0025 1.4720
C2 0.7688 -0.0006 -0.3646   0.7675 0.0006 0.3674
H3 0.1882 -2.1468 -0.3643   0.1868 2.1468 0.3651
H4 0.1699 -1.3615 1.2241   0.1742 1.3615 -1.2234
C5 -0.0559 -1.2082 0.1548   -0.0553 1.2082 -0.1549
H6 0.1861 2.1448 -0.3742   0.1848 -2.1448 0.3748
H7 0.1744 1.3687 1.2185   0.1788 -1.3686 -1.2179
C8 -0.0555 1.2090 0.1511   -0.0549 -1.2090 -0.1513
H9 -1.9442 1.1695 -0.9727   -1.9477 -1.1695 0.9657
H10 -2.1794 1.1966 0.7747   -2.1766 -1.1966 -0.7825
C11 -1.5443 0.7860 -0.0226   -1.5444 -0.7860 0.0171
H12 -2.1850 -1.2031 0.7616   -2.1823 1.2032 -0.7694
H13 -1.9343 -1.1642 -0.9836   -1.9378 1.1641 0.9767
C14 -1.5435 -0.7865 -0.0273   -1.5436 0.7865 0.0218
H15 2.7754 0.8874 -0.3271   2.7742 -0.8874 0.3371
H16 2.7753 -0.8887 -0.3243   2.7741 0.8887 0.3343
H17 2.3446 0.0017 1.1538   2.3487 -0.0017 -1.1453
C18 2.2488 -0.0000 0.0560   2.2490 0.0000 -0.0479
Atom - Atom Distances (Å)
  H1 C2 H3 H4 C5 H6 H7 C8 H9 H10 C11 H12 H13 C14 H15 H16 H17 C18
H1 1.1060 2.4697 3.0663 2.1657 2.4685 3.0660 2.1661 2.9507 3.8559 2.7986 3.8530 2.9358 2.7942 2.5160 2.5159 3.0867 2.1612
C2 1.1060 2.2234 2.1760 1.5518 2.2232 2.1759 1.5520 3.0165 3.3799 2.4671 3.3823 3.0073 2.4654 2.1946 2.1946 2.1883 1.5386
H3 2.4697 2.2234 1.7720 1.1000 4.2917 3.8554 3.4039 3.9894 4.2522 3.4234 2.7911 2.4195 2.2277 3.9877 2.8771 3.4017 3.0053
H4 3.0663 2.1760 1.7720 1.1036 3.8534 2.7302 2.7946 3.9625 3.5021 3.0174 2.4051 3.0561 2.1982 3.7753 3.0675 2.5677 2.7459
C5 2.1657 1.5518 1.1000 1.1036 3.4031 2.7973 2.4173 3.2389 3.2676 2.4948 2.2140 2.1969 1.5569 3.5553 2.8891 2.8678 2.6040
H6 2.4685 2.2232 4.2917 3.8534 3.4031 1.7718 1.1000 2.4182 2.7955 2.2281 4.2569 3.9770 3.4212 2.8788 3.9885 3.4039 3.0066
H7 3.0660 2.1759 3.8554 2.7302 2.7973 1.7718 1.1035 3.0545 2.4014 2.1986 3.5199 3.9637 3.0245 3.0636 3.7737 2.5656 2.7436
C8 2.1661 1.5520 3.4039 2.7946 2.4173 1.1000 1.1035 2.1981 2.2136 1.5575 3.2751 3.2326 2.4956 2.8889 3.5552 2.8676 2.6039
H9 2.9507 3.0165 3.9894 3.9625 3.2389 2.4182 3.0545 2.1981 1.7634 1.0998 2.9488 2.3337 2.2091 4.7719 5.1894 4.9274 4.4729
H10 3.8559 3.3799 4.2522 3.5021 3.2676 2.7955 2.4014 2.2136 1.7634 1.0989 2.3998 2.9538 2.2316 5.0852 5.4868 4.6944 4.6429
C11 2.7986 2.4671 3.4234 3.0174 2.4948 2.2281 2.1986 1.5575 1.0998 1.0989 2.2321 2.2088 1.5725 4.3316 4.6427 4.1379 3.8745
H12 3.8530 3.3823 2.7911 2.4051 2.2140 4.2569 3.5199 3.2751 2.9488 2.3998 2.2321 1.7636 1.0989 5.4920 5.0875 4.7035 4.6480
H13 2.9358 3.0073 2.4195 3.0561 2.1969 3.9770 3.9637 3.2326 2.3337 2.9538 2.2088 1.7636 1.0999 5.1789 4.7635 4.9230 4.4647
C14 2.7942 2.4654 2.2277 2.1982 1.5569 3.4212 3.0245 2.4956 2.2091 2.2316 1.5725 1.0989 1.0999 4.6416 4.3302 4.1393 3.8738
H15 2.5160 2.1946 3.9877 3.7753 3.5553 2.8788 3.0636 2.8889 4.7719 5.0852 4.3316 5.4920 5.1789 4.6416 1.7761 1.7785 1.1007
H16 2.5159 2.1946 2.8771 3.0675 2.8891 3.9885 3.7737 3.5552 5.1894 5.4868 4.6427 5.0875 4.7635 4.3302 1.7761 1.7785 1.1007
H17 3.0867 2.1883 3.4017 2.5677 2.8678 3.4039 2.5656 2.8676 4.9274 4.6944 4.1379 4.7035 4.9230 4.1393 1.7785 1.7785 1.1019
C18 2.1612 1.5386 3.0053 2.7459 2.6040 3.0066 2.7436 2.6039 4.4729 4.6429 3.8745 4.6480 4.4647 3.8738 1.1007 1.1007 1.1019
Maximum atom distance is 5.4920Å between atoms H12 and H15.
picture of Cyclopentane, methyl-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C5 C14 104.941 C2 C8 C11 105.008
C5 C2 C8 102.302 C5 C2 C18 114.833
C5 C14 C11 105.725 C8 C2 C18 114.817
C8 C11 C14 105.750
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 C2 C5 107.968 H1 C2 C8 107.986
H1 C2 C18 108.511 C2 C5 H3 112.840
C2 C5 H4 108.887 C2 C8 H6 112.815
C2 C8 H7 108.875 C2 C18 H15 111.430
C2 C18 H16 111.429 C2 C18 H17 110.856
H3 C5 H4 107.061 H3 C5 C14 112.824
H4 C5 C14 110.265 C5 C14 H12 111.784
C5 C14 H13 110.373 H6 C8 H7 107.044
H6 C8 C11 112.815 H7 C8 C11 110.261
C8 C11 H9 110.441 C8 C11 H10 111.719
H9 C11 H10 106.641 H9 C11 C14 110.258
H10 C11 C14 112.090 C11 C14 H12 112.131
C11 C14 H13 110.231 H12 C14 H13 106.652
H15 C18 H16 107.560 H15 C18 H17 107.689
H16 C18 H17 107.694

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