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	hartrees
Energy at 0K	-196.515210
Energy at 298.15K
HF Energy	-196.515210
Nuclear repulsion energy	187.700426

Atom	x (Å)	y (Å)	z (Å)
C1	1.037	-0.707	0.256
C2	-0.395	1.227	0.126
C3	-1.303	-0.027	0.015
C4	-0.346	-1.235	-0.155
C5	1.017	0.741	-0.242
H6	-0.394	1.602	1.156
H7	-0.734	2.048	-0.512
H8	-1.991	0.050	-0.832
H9	-1.920	-0.138	0.912
H10	-0.317	-1.546	-1.206
H11	-0.659	-2.105	0.429
H12	1.859	-1.298	-0.159
H13	1.138	-0.721	1.349
H14	1.152	0.756	-1.332
H15	1.806	1.361	0.195

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		2.4099	2.4486	1.5361	1.5322	2.8617	3.3642	3.3055	3.0818	2.1620	2.2042	1.0944	1.0976	2.1620	2.2079
C2	2.4099		1.5527	2.4782	1.5382	1.0958	1.0939	2.2028	2.1927	3.0770	3.3561	3.3965	2.7643	2.1770	2.2061
C3	2.4486	1.5527		1.5501	2.4582	2.1865	2.2154	1.0941	1.0943	2.1836	2.2143	3.4127	2.8674	2.9075	3.4101
C4	1.5361	2.4782	1.5501		2.4024	3.1252	3.3246	2.1944	2.1954	1.0962	1.0940	2.2065	2.1748	2.7547	3.3902
C5	1.5322	1.5382	2.4582	2.4024		2.1655	2.2018	3.1429	3.2766	2.8178	3.3709	2.2074	2.1649	1.0975	1.0943
H6	2.8617	1.0958	2.1865	3.1252	2.1655		1.7599	2.9848	2.3268	3.9357	3.7864	3.9006	2.7898	3.0487	2.4135
H7	3.3642	1.0939	2.2154	3.3246	2.2018	1.7599		2.3819	2.8660	3.6834	4.2588	4.2477	3.8260	2.4286	2.7249
H8	3.3055	2.2028	1.0941	2.1944	3.1429	2.9848	2.3819		1.7558	2.3426	2.8302	4.1348	3.8918	3.2597	4.1466
H9	3.0818	2.1927	1.0943	2.1954	3.2766	2.3268	2.8660	1.7558		3.0061	2.3858	4.0961	3.1441	3.9076	4.0802
H10	2.1620	3.0770	2.1836	1.0962	2.8178	3.9357	3.6834	2.3426	3.0061		1.7618	2.4282	3.0540	2.7330	3.8628
H11	2.2042	3.3561	2.2143	1.0940	3.3709	3.7864	4.2588	2.8302	2.3858	1.7618		2.7095	2.4476	3.8160	4.2598
H12	1.0944	3.3965	3.4127	2.2065	2.2074	3.9006	4.2477	4.1348	4.0961	2.4282	2.7095		1.7682	2.4679	2.6826
H13	1.0976	2.7643	2.8674	2.1748	2.1649	2.7898	3.8260	3.8918	3.1441	3.0540	2.4476	1.7682		3.0605	2.4728
H14	2.1620	2.1770	2.9075	2.7547	1.0975	3.0487	2.4286	3.2597	3.9076	2.7330	3.8160	2.4679	3.0605		1.7677
H15	2.2079	2.2061	3.4101	3.3902	1.0943	2.4135	2.7249	4.1466	4.0802	3.8628	4.2598	2.6826	2.4728	1.7677

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	C3	105.010	C1	C4	H10	109.298
C1	C4	H11	112.797	C1	C5	C2	103.418
C1	C5	H14	109.491	C1	C5	H15	113.353
C2	C3	C4	106.010	C2	C3	H8	111.481
C2	C3	H9	110.668	C2	C5	H14	110.253
C2	C5	H15	112.778	C3	C2	C5	105.365
C3	C2	H6	110.097	C3	C2	H7	112.512
C3	C4	H10	110.024	C3	C4	H11	112.595
C4	C1	C5	103.069	C4	C1	H12	112.958
C4	C1	H13	110.222	C4	C3	H8	110.993
C4	C3	H9	111.058	C5	C1	H12	113.314
C5	C1	H13	109.703	C5	C2	H6	109.449
C5	C2	H7	112.448	H6	C2	H7	106.977
H8	C3	H9	106.702	H10	C4	H11	107.106
H12	C1	H13	107.541	H14	C5	H15	107.516

Number	Element	Mulliken
1	C	-0.293
2	C	-0.312
3	C	-0.321
4	C	-0.301
5	C	-0.296
6	H	0.154
7	H	0.153
8	H	0.152
9	H	0.154
10	H	0.154
11	H	0.150
12	H	0.150
13	H	0.154
14	H	0.153
15	H	0.150

All results from a given calculation for C₅H₁₀ (Cyclopentane)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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	x	y	z	Total
	-0.012	-0.002	-0.004	0.013
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	115.457
(<r²>)^1/2	10.745

All results from a given calculation for C5H10 (Cyclopentane)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for C₅H₁₀ (Cyclopentane)