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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/daug-cc-pVTZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 0.6971 -0.0019 -1.4451   -1.5237 0.5028 -0.0019
C2 0.7550 -0.0005 -0.3577   -0.4530 0.7020 -0.0005
H3 0.1884 -2.1201 -0.3390   -0.3607 0.1426 -2.1201
H4 0.1592 -1.3303 1.2180   1.1869 0.3165 -1.3303
C5 -0.0550 -1.1904 0.1618   0.1676 -0.0335 -1.1904
H6 0.1871 2.1187 -0.3460   -0.3675 0.1404 2.1187
H7 0.1624 1.3353 1.2142   1.1826 0.3192 1.3353
C8 -0.0547 1.1909 0.1591   0.1649 -0.0335 1.1909
H9 -1.9033 1.1518 -0.9706   -0.7143 -2.0136 1.1518
H10 -2.1581 1.1822 0.7479   1.0227 -2.0422 1.1822
C11 -1.5228 0.7754 -0.0286   0.1701 -1.5136 0.7754
H12 -2.1620 -1.1868 0.7385   1.0139 -2.0474 -1.1868
H13 -1.8961 -1.1480 -0.9782   -0.7228 -2.0075 -1.1480
C14 -1.5222 -0.7757 -0.0319   0.1667 -1.5134 -0.7757
H15 2.7351 0.8754 -0.3352   -0.6888 2.6681 0.8754
H16 2.7352 -0.8761 -0.3336   -0.6871 2.6684 -0.8761
H17 2.3251 0.0010 1.1281   0.8155 2.4523 0.0010
C18 2.2215 -0.0000 0.0475   -0.2424 2.2087 -0.0000
Atom - Atom Distances (Å)
  H1 C2 H3 H4 C5 H6 H7 C8 H9 H10 C11 H12 H13 C14 H15 H16 H17 C18
H1 1.0890 2.4432 3.0244 2.1355 2.4423 3.0242 2.1358 2.8841 3.7899 2.7457 3.7877 2.8734 2.7425 2.4810 2.4807 3.0450 2.1335
C2 1.0890 2.1941 2.1462 1.5303 2.1940 2.1462 1.5304 2.9615 3.3327 2.4288 3.3344 2.9547 2.4275 2.1653 2.1653 2.1616 1.5214
H3 2.4432 2.1941 1.7462 1.0837 4.2388 3.7885 3.3571 3.9344 4.1943 3.3776 2.7489 2.3872 2.1973 3.9318 2.8344 3.3492 2.9627
H4 3.0244 2.1462 1.7462 1.0868 3.7872 2.6656 2.7429 3.8993 3.4501 2.9694 2.3746 3.0135 2.1673 3.7301 3.0413 2.5440 2.7190
C5 2.1355 1.5303 1.0837 1.0868 3.3565 2.7448 2.3813 3.1912 3.2242 2.4607 2.1845 2.1659 1.5369 3.5071 2.8512 2.8316 2.5715
H6 2.4423 2.1940 4.2388 3.7872 3.3565 1.7460 1.0837 2.3864 2.7520 2.1975 4.1977 3.9256 3.3761 2.8352 3.9322 3.3509 2.9635
H7 3.0242 2.1462 3.7885 2.6656 2.7448 1.7460 1.0868 3.0123 2.3718 2.1675 3.4627 3.9001 2.9744 3.0383 3.7290 2.5426 2.7174
C8 2.1358 1.5304 3.3571 2.7429 2.3813 1.0837 1.0868 2.1669 2.1842 1.5373 3.2295 3.1866 2.4612 2.8508 3.5070 2.8316 2.5713
H9 2.8841 2.9615 3.9344 3.8993 3.1912 2.3864 3.0123 2.1669 1.7375 1.0834 2.9080 2.2997 2.1775 4.6899 5.1024 4.8588 4.4019
H10 3.7899 3.3327 4.1943 3.4501 3.2242 2.7520 2.3718 2.1842 1.7375 1.0825 2.3690 2.9116 2.2013 5.0210 5.4176 4.6517 4.5900
C11 2.7457 2.4288 3.3776 2.9694 2.4607 2.1975 2.1675 1.5373 1.0834 1.0825 2.2016 2.1773 1.5511 4.2702 4.5773 4.0919 3.8245
H12 3.7877 3.3344 2.7489 2.3746 2.1845 4.1977 3.4627 3.2295 2.9080 2.3690 2.2016 1.7376 1.0825 5.4211 5.0228 4.6580 4.5936
H13 2.8734 2.9547 2.3872 3.0135 2.1659 3.9256 3.9001 3.1866 2.2997 2.9116 2.1773 1.7376 1.0835 5.0947 4.6839 4.8555 4.3960
C14 2.7425 2.4275 2.1973 2.1673 1.5369 3.3761 2.9744 2.4612 2.1775 2.2013 1.5511 1.0825 1.0835 4.5764 4.2693 4.0928 3.8240
H15 2.4810 2.1653 3.9318 3.7301 3.5071 2.8352 3.0383 2.8508 4.6899 5.0210 4.2702 5.4211 5.0947 4.5764 1.7516 1.7533 1.0848
H16 2.4807 2.1653 2.8344 3.0413 2.8512 3.9322 3.7290 3.5070 5.1024 5.4176 4.5773 5.0228 4.6839 4.2693 1.7516 1.7533 1.0848
H17 3.0450 2.1616 3.3492 2.5440 2.8316 3.3509 2.5426 2.8316 4.8588 4.6517 4.0919 4.6580 4.8555 4.0928 1.7533 1.7533 1.0856
C18 2.1335 1.5214 2.9627 2.7190 2.5715 2.9635 2.7174 2.5713 4.4019 4.5900 3.8245 4.5936 4.3960 3.8240 1.0848 1.0848 1.0856
Maximum atom distance is 5.4211Å 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 104.642 C2 C8 C11 104.694
C5 C2 C8 102.159 C5 C2 C18 114.840
C5 C14 C11 105.658 C8 C2 C18 114.825
C8 C11 C14 105.675
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 C2 C5 108.046 H1 C2 C8 108.060
H1 C2 C18 108.494 C2 C5 H3 113.036
C2 C5 H4 109.007 C2 C8 H6 113.020
C2 C8 H7 108.999 C2 C18 H15 111.267
C2 C18 H16 111.267 C2 C18 H17 110.921
H3 C5 H4 107.120 H3 C5 C14 112.809
H4 C5 C14 110.204 C5 C14 H12 111.844
C5 C14 H13 110.292 H6 C8 H7 107.108
H6 C8 C11 112.803 H7 C8 C11 110.195
C8 C11 H9 110.345 C8 C11 H10 111.793
H9 C11 H10 106.679 H9 C11 C14 110.222
H10 C11 C14 112.181 C11 C14 H12 112.210
C11 C14 H13 110.201 H12 C14 H13 106.687
H15 C18 H16 107.676 H15 C18 H17 107.771
H16 C18 H17 107.772

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