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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

HF/CEP-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 0.6867 -0.0021 -1.4661   0.6771 0.0020 1.4705
C2 0.7476 -0.0005 -0.3733   0.7452 0.0005 0.3782
H3 0.1783 -2.1357 -0.3409   0.1761 2.1357 0.3422
H4 0.1570 -1.3328 1.2246   0.1650 1.3329 -1.2234
C5 -0.0631 -1.1979 0.1622   -0.0620 1.1979 -0.1625
H6 0.1767 2.1341 -0.3490   0.1744 -2.1342 0.3500
H7 0.1606 1.3386 1.2201   0.1686 -1.3385 -1.2191
C8 -0.0628 1.1985 0.1591   -0.0618 -1.1985 -0.1596
H9 -1.9269 1.1604 -0.9754   -1.9332 -1.1605 0.9627
H10 -2.1822 1.1909 0.7569   -2.1772 -1.1909 -0.7713
C11 -1.5447 0.7813 -0.0267   -1.5449 -0.7813 0.0165
H12 -2.1867 -1.1963 0.7463   -2.1818 1.1963 -0.7605
H13 -1.9186 -1.1562 -0.9841   -1.9250 1.1561 0.9716
C14 -1.5440 -0.7817 -0.0304   -1.5442 0.7817 0.0204
H15 2.7448 0.8821 -0.3438   2.7425 -0.8821 0.3617
H16 2.7448 -0.8830 -0.3419   2.7425 0.8830 0.3599
H17 2.3261 0.0012 1.1288   2.3334 -0.0011 -1.1136
C18 2.2269 -0.0000 0.0402   2.2271 0.0000 -0.0256
Atom - Atom Distances (Å)
  H1 C2 H3 H4 C5 H6 H7 C8 H9 H10 C11 H12 H13 C14 H15 H16 H17 C18
H1 1.0945 2.4651 3.0481 2.1548 2.4641 3.0479 2.1551 2.9023 3.8204 2.7686 3.8180 2.8899 2.7650 2.5054 2.5051 3.0693 2.1542
C2 1.0945 2.2100 2.1626 1.5420 2.2098 2.1626 1.5421 2.9772 3.3587 2.4467 3.3605 2.9694 2.4453 2.1837 2.1837 2.1790 1.5359
H3 2.4651 2.2100 1.7595 1.0913 4.2698 3.8089 3.3801 3.9622 4.2241 3.4024 2.7672 2.4021 2.2127 3.9615 2.8559 3.3674 2.9837
H4 3.0481 2.1626 1.7595 1.0933 3.8074 2.6714 2.7552 3.9242 3.4727 2.9885 2.3959 3.0360 2.1846 3.7500 3.0582 2.5482 2.7319
C5 2.1548 1.5420 1.0913 1.0933 3.3795 2.7573 2.3964 3.2140 3.2481 2.4795 2.2024 2.1814 1.5503 3.5308 2.8702 2.8426 2.5872
H6 2.4641 2.2098 4.2698 3.8074 3.3795 1.7593 1.0913 2.4012 2.7707 2.2130 4.2281 3.9522 3.4007 2.8570 3.9621 3.3694 2.9848
H7 3.0479 2.1626 3.8089 2.6714 2.7573 1.7593 1.0933 3.0348 2.3927 2.1848 3.4871 3.9249 2.9942 3.0548 3.7488 2.5468 2.7301
C8 2.1551 1.5421 3.3801 2.7552 2.3964 1.0913 1.0933 2.1825 2.2021 1.5507 3.2543 3.2086 2.4802 2.8698 3.5308 2.8427 2.5871
H9 2.9023 2.9772 3.9622 3.9242 3.2140 2.4012 3.0348 2.1825 1.7513 1.0908 2.9301 2.3166 2.1935 4.7224 5.1383 4.8846 4.4308
H10 3.8204 3.3587 4.2241 3.4727 3.2481 2.7707 2.3927 2.2021 1.7513 1.0900 2.3872 2.9342 2.2177 5.0579 5.4574 4.6774 4.6229
C11 2.7686 2.4467 3.4024 2.9885 2.4795 2.2130 2.1848 1.5507 1.0908 1.0900 2.2182 2.1932 1.5630 4.3024 4.6119 4.1142 3.8523
H12 3.8180 3.3605 2.7672 2.3959 2.2024 4.2281 3.4871 3.2543 2.9301 2.3872 2.2182 1.7515 1.0900 5.4614 5.0598 4.6846 4.6270
H13 2.8899 2.9694 2.4021 3.0360 2.1814 3.9522 3.9249 3.2086 2.3166 2.9342 2.1932 1.7515 1.0909 5.1295 4.7153 4.8807 4.4238
C14 2.7650 2.4453 2.2127 2.1846 1.5503 3.4007 2.9942 2.4802 2.1935 2.2177 1.5630 1.0900 1.0909 4.6109 4.3013 4.1152 3.8517
H15 2.5054 2.1837 3.9615 3.7500 3.5308 2.8570 3.0548 2.8698 4.7224 5.0579 4.3024 5.4614 5.1295 4.6109 1.7651 1.7664 1.0927
H16 2.5051 2.1837 2.8559 3.0582 2.8702 3.9621 3.7488 3.5308 5.1383 5.4574 4.6119 5.0598 4.7153 4.3013 1.7651 1.7664 1.0927
H17 3.0693 2.1790 3.3674 2.5482 2.8426 3.3694 2.5468 2.8427 4.8846 4.6774 4.1142 4.6846 4.8807 4.1152 1.7664 1.7664 1.0932
C18 2.1542 1.5359 2.9837 2.7319 2.5872 2.9848 2.7301 2.5871 4.4308 4.6229 3.8523 4.6270 4.4238 3.8517 1.0927 1.0927 1.0932
Maximum atom distance is 5.4614Å 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 104.516 C2 C8 C11 104.576
C5 C2 C8 101.980 C5 C2 C18 114.403
C5 C14 C11 105.580 C8 C2 C18 114.390
C8 C11 C14 105.598
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 C2 C5 108.443 H1 C2 C8 108.457
H1 C2 C18 108.806 C2 C5 H3 113.009
C2 C5 H4 109.112 C2 C8 H6 112.990
C2 C8 H7 109.103 C2 C18 H15 111.234
C2 C18 H16 111.232 C2 C18 H17 110.824
H3 C5 H4 107.299 H3 C5 C14 112.628
H4 C5 C14 110.256 C5 C14 H12 111.874
C5 C14 H13 110.149 H6 C8 H7 107.285
H6 C8 C11 112.622 H7 C8 C11 110.246
C8 C11 H9 110.213 C8 C11 H10 111.815
H9 C11 H10 106.846 H9 C11 C14 110.220
H10 C11 C14 112.195 C11 C14 H12 112.231
C11 C14 H13 110.194 H12 C14 H13 106.856
H15 C18 H16 107.747 H15 C18 H17 107.823
H16 C18 H17 107.824

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