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Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
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Geometry for C5H10 (Cyclopentane)
1A C1
1910171554
InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2 INChIKey=RGSFGYAAUTVSQA-UHFFFAOYSA-N
B1B95/CEP-31G
Point group is C1
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| C1 |
0.3848 |
1.2394 |
0.1393 |
|
-0.3894 |
1.2378 |
0.1413 |
| C2 |
-1.0407 |
-0.7212 |
0.2619 |
|
1.0433 |
-0.7178 |
0.2608 |
| C3 |
0.3604 |
-1.2436 |
-0.1522 |
|
-0.3559 |
-1.2447 |
-0.1542 |
| C4 |
1.3157 |
-0.0136 |
0.0066 |
|
-1.3156 |
-0.0184 |
0.0066 |
| C5 |
-1.0314 |
0.7384 |
-0.2558 |
|
1.0287 |
0.7426 |
-0.2546 |
| H6 |
-1.1446 |
-0.7270 |
1.3612 |
|
1.1472 |
-0.7250 |
1.3600 |
| H7 |
-1.8619 |
-1.3255 |
-0.1545 |
|
1.8668 |
-1.3185 |
-0.1567 |
| H8 |
0.3334 |
-1.5708 |
-1.2055 |
|
-0.3276 |
-1.5701 |
-1.2080 |
| H9 |
0.6849 |
-2.1083 |
0.4474 |
|
-0.6772 |
-2.1115 |
0.4440 |
| H10 |
1.9877 |
0.0771 |
-0.8615 |
|
-1.9879 |
0.0712 |
-0.8613 |
| H11 |
1.9577 |
-0.1204 |
0.8955 |
|
-1.9573 |
-0.1290 |
0.8953 |
| H12 |
0.7248 |
2.0820 |
-0.4828 |
|
-0.7324 |
2.0801 |
-0.4794 |
| H13 |
0.3716 |
1.5938 |
1.1838 |
|
-0.3774 |
1.5905 |
1.1864 |
| H14 |
-1.1500 |
0.7458 |
-1.3535 |
|
1.1472 |
0.7522 |
-1.3523 |
| H15 |
-1.8366 |
1.3571 |
0.1707 |
|
1.8316 |
1.3636 |
0.1729 |
Atom - Atom Distances (Å)
| |
C1 |
C2 |
C3 |
C4 |
C5 |
H6 |
H7 |
H8 |
H9 |
H10 |
H11 |
H12 |
H13 |
H14 |
H15 |
| C1 |
| 2.4272 |
2.5002 |
1.5666 |
1.5533 |
2.7746 |
3.4225 |
3.1158 |
3.3752 |
2.2185 |
2.2124 |
1.1011 |
1.1031 |
2.1972 |
2.2247 |
| C2 |
2.4272 |
|
1.5517 |
2.4736 |
1.5487 |
1.1041 |
1.1014 |
2.1825 |
2.2217 |
3.3272 |
3.1230 |
3.3956 |
2.8642 |
2.1849 |
2.2274 |
| C3 |
2.5002 |
1.5517 |
|
1.5655 |
2.4241 |
2.1960 |
2.2239 |
1.1032 |
1.1011 |
2.2125 |
2.2161 |
3.3619 |
3.1363 |
2.7717 |
3.4198 |
| C4 |
1.5666 |
2.4736 |
1.5655 |
| 2.4786 |
2.8977 |
3.4416 |
2.2043 |
2.2315 |
1.1015 |
1.1017 |
2.2317 |
2.2048 |
2.9166 |
3.4413 |
| C5 |
1.5533 |
1.5487 |
2.4241 |
2.4786 |
| 2.1851 |
2.2271 |
2.8455 |
3.3976 |
3.1495 |
3.3163 |
2.2229 |
2.1846 |
1.1041 |
1.1014 |
| H6 |
2.7746 |
1.1041 |
2.1960 |
2.8977 |
2.1851 |
| 1.7805 |
3.0796 |
2.4678 |
3.9239 |
3.1951 |
3.8451 |
2.7778 |
3.0884 |
2.4979 |
| H7 |
3.4225 |
1.1014 |
2.2239 |
3.4416 |
2.2271 |
1.7805 |
| 2.4462 |
2.7315 |
4.1577 |
4.1406 |
4.2907 |
3.9118 |
2.4970 |
2.7024 |
| H8 |
3.1158 |
2.1825 |
1.1032 |
2.2043 |
2.8455 |
3.0796 |
2.4462 |
| 1.7732 |
2.3602 |
3.0260 |
3.7441 |
3.9655 |
2.7548 |
3.8955 |
| H9 |
3.3752 |
2.2217 |
1.1011 |
2.2315 |
3.3976 |
2.4678 |
2.7315 |
1.7732 |
| 2.8611 |
2.4026 |
4.2925 |
3.7876 |
3.8413 |
4.2946 |
| H10 |
2.2185 |
3.3272 |
2.2125 |
1.1015 |
3.1495 |
3.9239 |
4.1577 |
2.3602 |
2.8611 |
| 1.7683 |
2.3996 |
3.0159 |
3.2457 |
4.1628 |
| H11 |
2.2124 |
3.1230 |
2.2161 |
1.1017 |
3.3163 |
3.1951 |
4.1406 |
3.0260 |
2.4026 |
1.7683 |
| 2.8758 |
2.3532 |
3.9327 |
4.1358 |
| H12 |
1.1011 |
3.3956 |
3.3619 |
2.2317 |
2.2229 |
3.8451 |
4.2907 |
3.7441 |
4.2925 |
2.3996 |
2.8758 |
| 1.7722 |
2.4614 |
2.7410 |
| H13 |
1.1031 |
2.8642 |
3.1363 |
2.2048 |
2.1846 |
2.7778 |
3.9118 |
3.9655 |
3.7876 |
3.0159 |
2.3532 |
1.7722 |
| 3.0777 |
2.4409 |
| H14 |
2.1972 |
2.1849 |
2.7717 |
2.9166 |
1.1041 |
3.0884 |
2.4970 |
2.7548 |
3.8413 |
3.2457 |
3.9327 |
2.4614 |
3.0777 |
| 1.7800 |
| H15 |
2.2247 |
2.2274 |
3.4198 |
3.4413 |
1.1014 |
2.4979 |
2.7024 |
3.8955 |
4.2946 |
4.1628 |
4.1358 |
2.7410 |
2.4409 |
1.7800 |
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Maximum atom distance is 4.2946Å
between atoms H9 and H15.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
C1 |
C4 |
C3 |
105.929 |
|
C1 |
C5 |
C2 |
102.971 |
|
C2 |
C3 |
C4 |
105.034 |
|
C3 |
C2 |
C5 |
102.866 |
|
C4 |
C1 |
C5 |
105.204 |
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Calculated Bond Angles (degrees) (Involving Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
C1 |
C4 |
H10 |
111.305 |
|
C1 |
C4 |
H11 |
110.822 |
|
C1 |
C5 |
H14 |
110.400 |
|
C1 |
C5 |
H15 |
112.759 |
|
C2 |
C3 |
H8 |
109.423 |
|
C2 |
C3 |
H9 |
112.652 |
|
C2 |
C5 |
H14 |
109.757 |
|
C2 |
C5 |
H15 |
113.306 |
|
C3 |
C2 |
H6 |
110.420 |
|
C3 |
C2 |
H7 |
112.805 |
|
C3 |
C4 |
H10 |
110.913 |
|
C3 |
C4 |
H11 |
111.185 |
|
C4 |
C1 |
H12 |
112.381 |
|
C4 |
C1 |
H13 |
110.138 |
|
C4 |
C3 |
H8 |
110.174 |
|
C4 |
C3 |
H9 |
112.450 |
|
C5 |
C1 |
H12 |
112.623 |
|
C5 |
C1 |
H13 |
109.478 |
|
C5 |
C2 |
H6 |
109.771 |
|
C5 |
C2 |
H7 |
113.279 |
|
H6 |
C2 |
H7 |
107.667 |
|
H8 |
C3 |
H9 |
107.113 |
|
H10 |
C4 |
H11 |
106.758 |
|
H12 |
C1 |
H13 |
107.025 |
|
H14 |
C5 |
H15 |
107.620 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.