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	hartrees
Energy at 0K	-195.358558
Energy at 298.15K
HF Energy	-195.358558
Nuclear repulsion energy	184.623573

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3052	3032	93.87
2	A	3033	3014	13.21
3	A	3032	3012	20.40
4	A	3026	3006	10.59
5	A	3017	2997	33.86
6	A	3000	2981	47.97
7	A	2985	2966	20.96
8	A	2982	2963	18.97
9	A	2976	2957	30.79
10	A	2972	2953	18.94
11	A	1538	1528	0.10
12	A	1517	1507	5.08
13	A	1515	1505	2.21
14	A	1511	1501	3.11
15	A	1507	1497	0.44
16	A	1336	1328	0.07
17	A	1334	1326	0.03
18	A	1330	1322	0.14
19	A	1314	1306	0.69
20	A	1311	1302	0.38
21	A	1281	1273	1.13
22	A	1236	1228	0.19
23	A	1211	1203	0.55
24	A	1196	1188	0.20
25	A	1149	1141	0.00
26	A	1012	1006	0.22
27	A	1004	998	0.06
28	A	993	987	0.59
29	A	974	967	1.30
30	A	869	863	2.05
31	A	860	855	2.42
32	A	842	837	0.87
33	A	841	836	0.83
34	A	804	798	0.12
35	A	757	753	1.45
36	A	611	607	0.16
37	A	544	541	1.96
38	A	257	256	0.00
39	A	25i	25i	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.963	-0.841	0.262
C2	-0.249	1.289	0.131
C3	-1.323	0.131	0.014
C4	-0.499	-1.208	-0.158
C5	1.119	0.626	-0.249
H6	-0.203	1.651	1.172
H7	-0.491	2.146	-0.518
H8	-1.991	0.291	-0.846
H9	-1.945	0.092	0.922
H10	-0.505	-1.514	-1.219
H11	-0.915	-2.033	0.440
H12	1.711	-1.527	-0.165
H13	1.055	-0.860	1.362
H14	1.244	0.621	-1.346
H15	1.979	1.148	0.199

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		2.4542	2.4961	1.5649	1.5607	2.8974	3.4114	3.3518	3.1248	2.1904	2.2320	1.1018	1.1046	2.1908	2.2346
C2	2.4542		1.5842	2.5260	1.5672	1.1029	1.1011	2.2329	2.2215	3.1214	3.4028	3.4446	2.7992	2.2044	2.2339
C3	2.4961	1.5842		1.5808	2.5056	2.2148	2.2442	1.1012	1.1014	2.2120	2.2427	3.4625	2.9073	2.9465	3.4606
C4	1.5649	2.5260	1.5808		2.4471	3.1665	3.3723	2.2236	2.2246	1.1035	1.1013	2.2336	2.2019	2.7915	3.4382
C5	1.5607	1.5672	2.5056	2.4471		2.1947	2.2299	3.1845	3.3235	2.8556	3.4181	2.2348	2.1926	1.1045	1.1017
H6	2.8974	1.1029	2.2148	3.1665	2.1947		1.7841	3.0198	2.3506	3.9772	3.8229	3.9437	2.8144	3.0817	2.4417
H7	3.4114	1.1011	2.2442	3.3723	2.2299	1.7841		2.4080	2.8992	3.7258	4.3082	4.2969	3.8673	2.4539	2.7583
H8	3.3518	2.2329	1.1012	2.2236	3.1845	3.0198	2.4080		1.7805	2.3675	2.8661	4.1807	3.9345	3.2902	4.1942
H9	3.1248	2.2215	1.1014	2.2246	3.3235	2.3506	2.8992	1.7805		3.0394	2.4110	4.1445	3.1781	3.9494	4.1279
H10	2.1904	3.1214	2.2120	1.1035	2.8556	3.9772	3.7258	2.3675	3.0394		1.7857	2.4537	3.0855	2.7622	3.9072
H11	2.2320	3.4028	2.2427	1.1013	3.4181	3.8229	4.3082	2.8661	2.4110	1.7857		2.7425	2.4717	3.8595	4.3081
H12	1.1018	3.4446	3.4625	2.2336	2.2348	3.9437	4.2969	4.1807	4.1445	2.4537	2.7425		1.7917	2.4953	2.7137
H13	1.1046	2.7992	2.9073	2.2019	2.1926	2.8144	3.8673	3.9345	3.1781	3.0855	2.4717	1.7917		3.0925	2.4983
H14	2.1908	2.2044	2.9465	2.7915	1.1045	3.0817	2.4539	3.2902	3.9494	2.7622	3.8595	2.4953	3.0925		1.7906
H15	2.2346	2.2339	3.4606	3.4382	1.1017	2.4417	2.7583	4.1942	4.1279	3.9072	4.3081	2.7137	2.4983	1.7906

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	C3	105.023	C1	C4	H10	109.120
C1	C4	H11	112.514	C1	C5	C2	103.369
C1	C5	H14	109.378	C1	C5	H15	113.003
C2	C3	C4	105.896	C2	C3	H8	111.232
C2	C3	H9	110.331	C2	C5	H14	109.989
C2	C5	H15	112.485	C3	C2	C5	105.324
C3	C2	H6	109.724	C3	C2	H7	112.136
C3	C4	H10	109.708	C3	C4	H11	112.241
C4	C1	C5	103.053	C4	C1	H12	112.618
C4	C1	H13	109.943	C4	C3	H8	110.738
C4	C3	H9	110.804	C5	C1	H12	113.013
C5	C1	H13	109.511	C5	C2	H6	109.325
C5	C2	H7	112.195	H6	C2	H7	108.095
H8	C3	H9	107.868	H10	C4	H11	108.174
H12	C1	H13	108.589	H14	C5	H15	108.516

All results from a given calculation for C₅H₁₀ (Cyclopentane)

using model chemistry: BLYP/3-21G*

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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Number	Element	Mulliken
1	C	-0.343
2	C	-0.343
3	C	-0.343
4	C	-0.342
5	C	-0.343
6	H	0.174
7	H	0.170
8	H	0.173
9	H	0.174
10	H	0.174
11	H	0.169
12	H	0.168
13	H	0.172
14	H	0.172
15	H	0.168

	x	y	z	Total
	-0.001	0.001	0.001	0.002
CHELPG
AIM
ESP

	x	y	z
x	7.491	0.002	0.001
y	0.002	7.495	0.003
z	0.001	0.003	6.800

<r²>	118.575
(<r²>)^1/2	10.889

All results from a given calculation for C5H10 (Cyclopentane)

using model chemistry: BLYP/3-21G*

States and conformations

All results from a given calculation for C₅H₁₀ (Cyclopentane)