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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

mPW1PW91/6-31+G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 0.6950 -0.0022 -1.4597   0.6893 0.0021 1.4623
C2 0.7564 -0.0006 -0.3611   0.7550 0.0005 0.3640
H3 0.1934 -2.1313 -0.3379   0.1920 2.1313 0.3387
H4 0.1654 -1.3245 1.2293   0.1701 1.3246 -1.2286
C5 -0.0551 -1.1901 0.1622   -0.0545 1.1902 -0.1623
H6 0.1918 2.1297 -0.3461   0.1905 -2.1298 0.3467
H7 0.1692 1.3305 1.2247   0.1739 -1.3304 -1.2241
C8 -0.0547 1.1908 0.1591   -0.0541 -1.1908 -0.1593
H9 -1.9092 1.1580 -0.9784   -1.9130 -1.1581 0.9710
H10 -2.1658 1.1877 0.7556   -2.1628 -1.1877 -0.7640
C11 -1.5241 0.7760 -0.0281   -1.5242 -0.7760 0.0222
H12 -2.1704 -1.1931 0.7446   -2.1676 1.1932 -0.7528
H13 -1.9007 -1.1536 -0.9874   -1.9045 1.1535 0.9801
C14 -1.5234 -0.7763 -0.0319   -1.5235 0.7763 0.0261
H15 2.7436 0.8829 -0.3346   2.7422 -0.8829 0.3451
H16 2.7436 -0.8839 -0.3324   2.7423 0.8839 0.3429
H17 2.3194 0.0014 1.1386   2.3238 -0.0013 -1.1296
C18 2.2218 -0.0000 0.0472   2.2219 0.0000 -0.0386
Atom - Atom Distances (Å)
  H1 C2 H3 H4 C5 H6 H7 C8 H9 H10 C11 H12 H13 C14 H15 H16 H17 C18
H1 1.1002 2.4583 3.0429 2.1457 2.4573 3.0427 2.1461 2.8913 3.8088 2.7530 3.8062 2.8786 2.7493 2.4992 2.4990 3.0643 2.1452
C2 1.1002 2.2040 2.1521 1.5322 2.2039 2.1521 1.5323 2.9714 3.3464 2.4320 3.3483 2.9635 2.4306 2.1748 2.1748 2.1661 1.5212
H3 2.4583 2.2040 1.7629 1.0943 4.2611 3.7982 3.3683 3.9562 4.2163 3.3909 2.7639 2.4007 2.2084 3.9483 2.8389 3.3539 2.9673
H4 3.0429 2.1521 1.7629 1.0979 3.7966 2.6550 2.7424 3.9167 3.4597 2.9744 2.3892 3.0351 2.1779 3.7371 3.0463 2.5311 2.7167
C5 2.1457 1.5322 1.0943 1.0979 3.3676 2.7446 2.3810 3.2020 3.2344 2.4617 2.1940 2.1747 1.5378 3.5181 2.8585 2.8305 2.5717
H6 2.4573 2.2039 4.2611 3.7966 3.3676 1.7626 1.0943 2.3997 2.7676 2.2087 4.2204 3.9459 3.3891 2.8401 3.9489 3.3557 2.9684
H7 3.0427 2.1521 3.7982 2.6550 2.7446 1.7626 1.0979 3.0337 2.3859 2.1781 3.4746 3.9177 2.9804 3.0429 3.7357 2.5293 2.7147
C8 2.1461 1.5323 3.3683 2.7424 2.3810 1.0943 1.0979 2.1758 2.1937 1.5382 3.2407 3.1966 2.4623 2.8582 3.5180 2.8303 2.5716
H9 2.8913 2.9714 3.9562 3.9167 3.2020 2.3997 3.0337 2.1758 1.7531 1.0943 2.9266 2.3116 2.1878 4.7052 5.1221 4.8684 4.4111
H10 3.8088 3.3464 4.2163 3.4597 3.2344 2.7676 2.3859 2.1937 1.7531 1.0933 2.3809 2.9308 2.2114 5.0381 5.4384 4.6552 4.6003
C11 2.7530 2.4320 3.3909 2.9744 2.4617 2.2087 2.1781 1.5382 1.0943 1.0933 2.2118 2.1875 1.5523 4.2800 4.5892 4.0907 3.8262
H12 3.8062 3.3483 2.7639 2.3892 2.1940 4.2204 3.4746 3.2407 2.9266 2.3809 2.2118 1.7532 1.0933 5.4426 5.0401 4.6627 4.6045
H13 2.8786 2.9635 2.4007 3.0351 2.1747 3.9459 3.9177 3.1966 2.3116 2.9308 2.1875 1.7532 1.0943 5.1130 4.6980 4.8645 4.4041
C14 2.7493 2.4306 2.2084 2.1779 1.5378 3.3891 2.9804 2.4623 2.1878 2.2114 1.5523 1.0933 1.0943 4.5882 4.2789 4.0917 3.8256
H15 2.4992 2.1748 3.9483 3.7371 3.5181 2.8401 3.0429 2.8582 4.7052 5.0381 4.2800 5.4426 5.1130 4.5882 1.7668 1.7684 1.0943
H16 2.4990 2.1748 2.8389 3.0463 2.8585 3.9489 3.7357 3.5180 5.1221 5.4384 4.5892 5.0401 4.6980 4.2789 1.7668 1.7684 1.0943
H17 3.0643 2.1661 3.3539 2.5311 2.8305 3.3557 2.5293 2.8303 4.8684 4.6552 4.0907 4.6627 4.8645 4.0917 1.7684 1.7684 1.0957
C18 2.1452 1.5212 2.9673 2.7167 2.5717 2.9684 2.7147 2.5716 4.4111 4.6003 3.8262 4.6045 4.4041 3.8256 1.0943 1.0943 1.0957
Maximum atom distance is 5.4426Å 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 104.696 C2 C8 C11 104.757
C5 C2 C8 101.965 C5 C2 C18 114.760
C5 C14 C11 105.617 C8 C2 C18 114.743
C8 C11 C14 105.637
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 C2 C5 108.075 H1 C2 C8 108.092
H1 C2 C18 108.773 C2 C5 H3 113.043
C2 C5 H4 108.700 C2 C8 H6 113.024
C2 C8 H7 108.688 C2 C18 H15 111.465
C2 C18 H16 111.465 C2 C18 H17 110.684
H3 C5 H4 107.054 H3 C5 C14 112.988
H4 C5 C14 110.325 C5 C14 H12 111.890
C5 C14 H13 110.285 H6 C8 H7 107.036
H6 C8 C11 112.983 H7 C8 C11 110.319
C8 C11 H9 110.346 C8 C11 H10 111.832
H9 C11 H10 106.526 H9 C11 C14 110.312
H10 C11 C14 112.248 C11 C14 H12 112.283
C11 C14 H13 110.288 H12 C14 H13 106.535
H15 C18 H16 107.655 H15 C18 H17 107.696
H16 C18 H17 107.698

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