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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

B97D3/6-311+G(3df,2p)


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 0.6979 -0.0019 -1.4641   0.7036 -0.0018 -1.4614
C2 0.7592 -0.0005 -0.3644   0.7606 -0.0005 -0.3615
H3 0.1945 -2.1356 -0.3429   0.1959 -2.1356 -0.3422
H4 0.1692 -1.3302 1.2281   0.1644 -1.3303 1.2287
C5 -0.0541 -1.1954 0.1605   -0.0547 -1.1954 0.1603
H6 0.1932 2.1343 -0.3500   0.1946 2.1343 -0.3491
H7 0.1725 1.3353 1.2242   0.1677 1.3352 1.2249
C8 -0.0538 1.1959 0.1579   -0.0544 1.1959 0.1577
H9 -1.9159 1.1606 -0.9785   -1.9121 1.1607 -0.9859
H10 -2.1700 1.1910 0.7593   -2.1730 1.1910 0.7509
C11 -1.5297 0.7799 -0.0270   -1.5296 0.7799 -0.0329
H12 -2.1741 -1.1957 0.7499   -2.1770 -1.1957 0.7413
H13 -1.9086 -1.1568 -0.9862   -1.9048 -1.1567 -0.9936
C14 -1.5291 -0.7802 -0.0303   -1.5290 -0.7802 -0.0363
H15 2.7509 0.8848 -0.3305   2.7521 0.8848 -0.3198
H16 2.7509 -0.8857 -0.3285   2.7521 -0.8857 -0.3179
H17 2.3187 0.0012 1.1427   2.3142 0.0012 1.1517
C18 2.2277 -0.0000 0.0493   2.2274 -0.0000 0.0580
Atom - Atom Distances (Å)
  H1 C2 H3 H4 C5 H6 H7 C8 H9 H10 C11 H12 H13 C14 H15 H16 H17 C18
H1 1.1014 2.4624 3.0482 2.1516 2.4616 3.0481 2.1519 2.9016 3.8199 2.7638 3.8177 2.8907 2.7606 2.5072 2.5071 3.0696 2.1519
C2 1.1014 2.2087 2.1569 1.5378 2.2086 2.1569 1.5379 2.9802 3.3561 2.4418 3.3578 2.9734 2.4405 2.1798 2.1798 2.1688 1.5256
H3 2.4624 2.2087 1.7656 1.0952 4.2699 3.8083 3.3782 3.9653 4.2276 3.4020 2.7727 2.4073 2.2149 3.9570 2.8456 3.3594 2.9746
H4 3.0482 2.1569 1.7656 1.0989 3.8070 2.6655 2.7525 3.9269 3.4711 2.9856 2.3953 3.0414 2.1841 3.7417 3.0472 2.5299 2.7196
C5 2.1516 1.5378 1.0952 1.0989 3.3776 2.7544 2.3913 3.2116 3.2451 2.4728 2.2004 2.1808 1.5442 3.5265 2.8641 2.8331 2.5783
H6 2.4616 2.2086 4.2699 3.8070 3.3776 1.7654 1.0952 2.4065 2.7758 2.2152 4.2311 3.9565 3.4004 2.8466 3.9576 3.3609 2.9755
H7 3.0481 2.1569 3.8083 2.6655 2.7544 1.7654 1.0989 3.0403 2.3925 2.1843 3.4839 3.9277 2.9907 3.0443 3.7405 2.5284 2.7179
C8 2.1519 1.5379 3.3782 2.7525 2.3913 1.0952 1.0989 2.1817 2.2001 1.5446 3.2506 3.2070 2.4733 2.8638 3.5264 2.8330 2.5782
H9 2.9016 2.9802 3.9653 3.9269 3.2116 2.4065 3.0403 2.1817 1.7565 1.0952 2.9336 2.3175 2.1944 4.7196 5.1370 4.8760 4.4241
H10 3.8199 3.3561 4.2276 3.4711 3.2451 2.7758 2.3925 2.2001 1.7565 1.0942 2.3868 2.9372 2.2181 5.0494 5.4508 4.6596 4.6111
C11 2.7638 2.4418 3.4020 2.9856 2.4728 2.2152 2.1843 1.5446 1.0952 1.0942 2.2185 2.1942 1.5602 4.2926 4.6031 4.0970 3.8382
H12 3.8177 3.3578 2.7727 2.3953 2.2004 4.2311 3.4839 3.2506 2.9336 2.3868 2.2185 1.7566 1.0942 5.4544 5.0512 4.6661 4.6147
H13 2.8907 2.9734 2.4073 3.0414 2.1808 3.9565 3.9277 3.2070 2.3175 2.9372 2.1942 1.7566 1.0952 5.1292 4.7135 4.8727 4.4181
C14 2.7606 2.4405 2.2149 2.1841 1.5442 3.4004 2.9907 2.4733 2.1944 2.2181 1.5602 1.0942 1.0952 4.6023 4.2917 4.0979 3.8378
H15 2.5072 2.1798 3.9570 3.7417 3.5265 2.8466 3.0443 2.8638 4.7196 5.0494 4.2926 5.4544 5.1292 4.6023 1.7705 1.7714 1.0959
H16 2.5071 2.1798 2.8456 3.0472 2.8641 3.9576 3.7405 3.5264 5.1370 5.4508 4.6031 5.0512 4.7135 4.2917 1.7705 1.7714 1.0959
H17 3.0696 2.1688 3.3594 2.5299 2.8331 3.3609 2.5284 2.8330 4.8760 4.6596 4.0970 4.6661 4.8727 4.0979 1.7714 1.7714 1.0972
C18 2.1519 1.5256 2.9746 2.7196 2.5783 2.9755 2.7179 2.5782 4.4241 4.6111 3.8382 4.6147 4.4181 3.8378 1.0959 1.0959 1.0972
Maximum atom distance is 5.4544Å 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 104.791 C2 C8 C11 104.843
C5 C2 C8 102.106 C5 C2 C18 114.777
C5 C14 C11 105.617 C8 C2 C18 114.762
C8 C11 C14 105.634
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 C2 C5 107.941 H1 C2 C8 107.958
H1 C2 C18 108.844 C2 C5 H3 113.123
C2 C5 H4 108.502 C2 C8 H6 113.106
C2 C8 H7 108.493 C2 C18 H15 111.510
C2 C18 H16 111.510 C2 C18 H17 110.438
H3 C5 H4 107.068 H3 C5 C14 113.079
H4 C5 C14 110.227 C5 C14 H12 111.998
C5 C14 H13 110.171 H6 C8 H7 107.053
H6 C8 C11 113.073 H7 C8 C11 110.221
C8 C11 H9 110.229 C8 C11 H10 111.942
H9 C11 H10 106.565 H9 C11 C14 110.258
H10 C11 C14 112.266 C11 C14 H12 112.299
C11 C14 H13 110.234 H12 C14 H13 106.573
H15 C18 H16 107.730 H15 C18 H17 107.741
H16 C18 H17 107.743

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