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	hartrees
Energy at 0K	-195.166445
Energy at 298.15K	-195.178103
HF Energy	-195.012772
Nuclear repulsion energy	186.159634

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3161	3010	78.26
2	A	3144	2993	12.26
3	A	3144	2993	17.36
4	A	3136	2985	8.29
5	A	3127	2977	23.14
6	A	3106	2957	38.02
7	A	3091	2943	27.98
8	A	3089	2941	13.29
9	A	3084	2936	26.82
10	A	3081	2933	18.65
11	A	1593	1517	0.26
12	A	1572	1496	6.69
13	A	1570	1495	3.07
14	A	1566	1491	4.53
15	A	1561	1486	0.50
16	A	1393	1326	0.11
17	A	1392	1325	0.15
18	A	1387	1320	0.40
19	A	1371	1305	0.84
20	A	1367	1301	0.94
21	A	1333	1269	1.51
22	A	1287	1225	0.19
23	A	1261	1200	0.67
24	A	1247	1187	0.27
25	A	1203	1145	0.00
26	A	1055	1005	0.14
27	A	1050	999	0.07
28	A	1036	986	0.83
29	A	1010	962	1.56
30	A	904	860	2.32
31	A	897	854	2.52
32	A	880	838	0.95
33	A	874	832	0.72
34	A	840	800	0.18
35	A	788	750	1.44
36	A	634	603	0.16
37	A	562	535	1.74
38	A	268	255	0.00
39	A	21	20	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.907	-0.884	0.264
C2	-0.176	1.290	0.131
C3	-1.303	0.201	0.015
C4	-0.559	-1.169	-0.160
C5	1.142	0.558	-0.250
H6	-0.107	1.641	1.164
H7	-0.371	2.153	-0.510
H8	-1.956	0.398	-0.838
H9	-1.919	0.194	0.917
H10	-0.574	-1.465	-1.213
H11	-1.019	-1.966	0.428
H12	1.613	-1.607	-0.152
H13	0.990	-0.899	1.356
H14	1.257	0.539	-1.339
H15	2.024	1.031	0.187

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		2.4329	2.4747	1.5529	1.5486	2.8660	3.3847	3.3251	3.0948	2.1714	2.2160	1.0926	1.0954	2.1717	2.2184
C2	2.4329		1.5715	2.5055	1.5551	1.0939	1.0922	2.2138	2.2046	3.0911	3.3771	3.4169	2.7672	2.1862	2.2163
C3	2.4747	1.5715		1.5683	2.4848	2.1967	2.2259	1.0923	1.0924	2.1942	2.2243	3.4350	2.8753	2.9159	3.4335
C4	1.5529	2.5055	1.5683		2.4255	3.1389	3.3454	2.2060	2.2058	1.0943	1.0922	2.2159	2.1842	2.7579	3.4109
C5	1.5486	1.5551	2.4848	2.4255		2.1754	2.2137	3.1570	3.2963	2.8221	3.3914	2.2179	2.1742	1.0953	1.0926
H6	2.8660	1.0939	2.1967	3.1389	2.1754		1.7709	2.9955	2.3329	3.9392	3.7932	3.9038	2.7738	3.0565	2.4223
H7	3.3847	1.0922	2.2259	3.3454	2.2137	1.7709		2.3870	2.8763	3.6911	4.2742	4.2665	3.8280	2.4381	2.7353
H8	3.3251	2.2138	1.0923	2.2060	3.1570	2.9955	2.3870		1.7672	2.3497	2.8408	4.1507	3.8958	3.2550	4.1584
H9	3.0948	2.2046	1.0924	2.2058	3.2963	2.3329	2.8763	1.7672		3.0161	2.3906	4.1064	3.1390	3.9116	4.0972
H10	2.1714	3.0911	2.1942	1.0943	2.8221	3.9392	3.6911	2.3497	3.0161		1.7725	2.4352	3.0608	2.7176	3.8657
H11	2.2160	3.3771	2.2243	1.0922	3.3914	3.7932	4.2742	2.8408	2.3906	1.7725		2.7191	2.4573	3.8184	4.2787
H12	1.0926	3.4169	3.4350	2.2159	2.2179	3.9038	4.2665	4.1507	4.1064	2.4352	2.7191		1.7784	2.4780	2.6917
H13	1.0954	2.7672	2.8753	2.1842	2.1742	2.7738	3.8280	3.8958	3.1390	3.0608	2.4573	1.7784		3.0666	2.4827
H14	2.1717	2.1862	2.9159	2.7579	1.0953	3.0565	2.4381	3.2550	3.9116	2.7176	3.8184	2.4780	3.0666		1.7776
H15	2.2184	2.2163	3.4335	3.4109	1.0926	2.4223	2.7353	4.1584	4.0972	3.8657	4.2787	2.6917	2.4827	1.7776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	C3	104.907	C1	C4	H10	108.989
C1	C4	H11	112.648	C1	C5	C2	103.232
C1	C5	H14	109.252	C1	C5	H15	113.130
C2	C3	C4	105.875	C2	C3	H8	111.143
C2	C3	H9	110.404	C2	C5	H14	109.937
C2	C5	H15	112.493	C3	C2	C5	105.264
C3	C2	H6	109.710	C3	C2	H7	112.117
C3	C4	H10	109.702	C3	C4	H11	112.207
C4	C1	C5	102.894	C4	C1	H12	112.616
C4	C1	H13	109.928	C4	C3	H8	110.746
C4	C3	H9	110.720	C5	C1	H12	113.090
C5	C1	H13	109.437	C5	C2	H6	109.175
C5	C2	H7	112.311	H6	C2	H7	108.211
H8	C3	H9	107.976	H10	C4	H11	108.314
H12	C1	H13	108.743	H14	C5	H15	108.674

All results from a given calculation for C₅H₁₀ (Cyclopentane)

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/3-21G

States and conformations

All results from a given calculation for C₅H₁₀ (Cyclopentane)