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	hartrees
Energy at 0K	-194.541793
Energy at 298.15K	-194.553434
HF Energy	-194.087135
Nuclear repulsion energy	185.669706

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3172	3018	73.81
2	A	3155	3002	14.17
3	A	3155	3001	10.66
4	A	3145	2992	6.43
5	A	3137	2984	16.43
6	A	3112	2961	31.06
7	A	3098	2947	33.28
8	A	3096	2945	11.26
9	A	3093	2942	23.18
10	A	3091	2941	18.45
11	A	1608	1530	0.24
12	A	1588	1511	6.05
13	A	1586	1509	2.32
14	A	1582	1505	3.77
15	A	1578	1501	0.35
16	A	1405	1337	0.02
17	A	1404	1336	0.02
18	A	1398	1330	0.42
19	A	1380	1312	1.42
20	A	1370	1303	0.25
21	A	1339	1274	1.54
22	A	1294	1231	0.23
23	A	1267	1205	0.77
24	A	1252	1191	0.30
25	A	1212	1153	0.00
26	A	1059	1008	0.21
27	A	1051	1000	0.08
28	A	1040	989	0.76
29	A	1011	962	1.62
30	A	903	859	2.12
31	A	897	854	2.15
32	A	883	840	0.89
33	A	871	829	0.58
34	A	845	804	0.16
35	A	795	756	1.31
36	A	632	601	0.16
37	A	563	536	1.45
38	A	269	256	0.00
39	A	13	12	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.312	-1.231	0.265
C2	0.527	1.195	0.131
C3	-1.008	0.855	0.015
C4	-1.091	-0.706	-0.160
C5	1.269	-0.122	-0.251
H6	0.770	1.455	1.168
H7	0.812	2.036	-0.509
H8	-1.461	1.366	-0.840
H9	-1.539	1.171	0.919
H10	-1.257	-0.951	-1.216
H11	-1.904	-1.145	0.427
H12	0.534	-2.219	-0.150
H13	0.374	-1.284	1.359
H14	1.353	-0.199	-1.342
H15	2.271	-0.180	0.185

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		2.4399	2.4816	1.5574	1.5533	2.8706	3.3946	3.3335	3.1018	2.1753	2.2231	1.0947	1.0971	2.1758	2.2253
C2	2.4399		1.5764	2.5137	1.5598	1.0958	1.0944	2.2190	2.2105	3.0987	3.3870	3.4265	2.7713	2.1910	2.2217
C3	2.4816	1.5764		1.5733	2.4920	2.2024	2.2315	1.0944	1.0946	2.1998	2.2299	3.4439	2.8801	2.9208	3.4428
C4	1.5574	2.5137	1.5733		2.4328	3.1461	3.3556	2.2122	2.2108	1.0962	1.0945	2.2212	2.1887	2.7623	3.4208
C5	1.5533	1.5598	2.4920	2.4328		2.1794	2.2209	3.1643	3.3049	2.8273	3.4015	2.2244	2.1783	1.0970	1.0947
H6	2.8706	1.0958	2.2024	3.1461	2.1794		1.7754	3.0029	2.3393	3.9468	3.8021	3.9106	2.7743	3.0624	2.4272
H7	3.3946	1.0944	2.2315	3.3556	2.2209	1.7754		2.3920	2.8828	3.7008	4.2856	4.2794	3.8348	2.4462	2.7422
H8	3.3335	2.2190	1.0944	2.2122	3.1643	3.0029	2.3920		1.7717	2.3564	2.8476	4.1613	3.9027	3.2594	4.1675
H9	3.1018	2.2105	1.0946	2.2108	3.3049	2.3393	2.8828	1.7717		3.0231	2.3953	4.1151	3.1433	3.9185	4.1081
H10	2.1753	3.0987	2.1998	1.0962	2.8273	3.9468	3.7008	2.3564	3.0231		1.7768	2.4400	3.0662	2.7188	3.8731
H11	2.2231	3.3870	2.2299	1.0945	3.4015	3.8021	4.2856	2.8476	2.3953	1.7768		2.7263	2.4650	3.8255	4.2919
H12	1.0947	3.4265	3.4439	2.2212	2.2244	3.9106	4.2794	4.1613	4.1151	2.4400	2.7263		1.7825	2.4846	2.6998
H13	1.0971	2.7713	2.8801	2.1887	2.1783	2.7743	3.8348	3.9027	3.1433	3.0662	2.4650	1.7825		3.0716	2.4898
H14	2.1758	2.1910	2.9208	2.7623	1.0970	3.0624	2.4462	3.2594	3.9185	2.7188	3.8255	2.4846	3.0716		1.7817
H15	2.2253	2.2217	3.4428	3.4208	1.0947	2.4272	2.7422	4.1675	4.1081	3.8731	4.2919	2.6998	2.4898	1.7817

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	C3	104.870	C1	C4	H10	108.877
C1	C4	H11	112.758	C1	C5	C2	103.212
C1	C5	H14	109.149	C1	C5	H15	113.223
C2	C3	C4	105.893	C2	C3	H8	111.084
C2	C3	H9	110.409	C2	C5	H14	109.890
C2	C5	H15	112.463	C3	C2	C5	105.232
C3	C2	H6	109.697	C3	C2	H7	112.076
C3	C4	H10	109.688	C3	C4	H11	112.165
C4	C1	C5	102.905	C4	C1	H12	112.595
C4	C1	H13	109.874	C4	C3	H8	110.764
C4	C3	H9	110.643	C5	C1	H12	113.149
C5	C1	H13	109.339	C5	C2	H6	109.056
C5	C2	H7	112.412	H6	C2	H7	108.306
H8	C3	H9	108.069	H10	C4	H11	108.401
H12	C1	H13	108.834	H14	C5	H15	108.768

All results from a given calculation for C₅H₁₀ (Cyclopentane)

using model chemistry: MP2/3-21G*

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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All results from a given calculation for C5H10 (Cyclopentane)

using model chemistry: MP2/3-21G*

States and conformations

All results from a given calculation for C₅H₁₀ (Cyclopentane)