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	hartrees
Energy at 0K	-196.002223
Energy at 298.15K	-196.013868
HF Energy	-195.187242
Nuclear repulsion energy	188.125543

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3194	3017	56.21
2	A	3179	3003	9.50
3	A	3178	3002	14.79
4	A	3169	2993	8.97
5	A	3165	2989	16.98
6	A	3130	2957	30.79
7	A	3117	2944	28.72
8	A	3115	2942	12.40
9	A	3107	2935	25.02
10	A	3105	2932	17.74
11	A	1547	1461	0.09
12	A	1521	1437	3.50
13	A	1520	1435	1.72
14	A	1514	1430	3.58
15	A	1508	1424	0.09
16	A	1364	1288	0.01
17	A	1361	1286	0.05
18	A	1360	1284	0.03
19	A	1342	1267	0.66
20	A	1313	1240	0.03
21	A	1304	1231	0.95
22	A	1254	1184	0.12
23	A	1242	1173	0.45
24	A	1219	1152	0.22
25	A	1196	1130	0.01
26	A	1083	1023	0.04
27	A	1063	1004	0.00
28	A	1012	956	0.52
29	A	976	922	1.42
30	A	941	889	1.55
31	A	931	880	1.40
32	A	916	865	0.55
33	A	891	841	0.67
34	A	837	790	0.31
35	A	778	735	0.94
36	A	610	576	0.17
37	A	543	513	1.31
38	A	287	271	0.00
39	A	17	16	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.897	-0.863	0.274
C2	-0.178	1.270	0.134
C3	-1.285	0.191	0.015
C4	-0.542	-1.154	-0.164
C5	1.120	0.552	-0.260
H6	-0.100	1.612	1.168
H7	-0.379	2.149	-0.480
H8	-1.949	0.388	-0.828
H9	-1.909	0.179	0.910
H10	-0.542	-1.443	-1.218
H11	-1.005	-1.969	0.395
H12	1.616	-1.593	-0.102
H13	0.965	-0.857	1.367
H14	1.218	0.517	-1.349
H15	2.013	1.037	0.139

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		2.3921	2.4371	1.5323	1.5287	2.8139	3.3565	3.2982	3.0602	2.1525	2.2038	1.0915	1.0947	2.1546	2.2076
C2	2.3921		1.5503	2.4692	1.5345	1.0927	1.0909	2.1998	2.1886	3.0530	3.3531	3.3863	2.7111	2.1710	2.2035
C3	2.4371	1.5503		1.5473	2.4479	2.1804	2.2132	1.0910	1.0912	2.1782	2.2114	3.4079	2.8269	2.8694	3.4075
C4	1.5323	2.4692	1.5473		2.3844	3.1021	3.3221	2.1906	2.1907	1.0931	1.0910	2.2034	2.1687	2.7015	3.3800
C5	1.5287	1.5345	2.4479	2.3844		2.1566	2.2012	3.1257	3.2689	2.7685	3.3621	2.2071	2.1574	1.0944	1.0914
H6	2.8139	1.0927	2.1804	3.1021	2.1566		1.7561	2.9839	2.3227	3.9021	3.7742	3.8508	2.6964	3.0451	2.4200
H7	3.3565	1.0909	2.2132	3.3221	2.2012	1.7561		2.3844	2.8555	3.6708	4.2562	4.2570	3.7753	2.4427	2.7097
H8	3.2982	2.1998	1.0910	2.1906	3.1257	2.9839	2.3844		1.7511	2.3422	2.8184	4.1425	3.8549	3.2120	4.1298
H9	3.0602	2.1886	1.0912	2.1907	3.2689	2.3227	2.8555	1.7511		3.0050	2.3871	4.0733	3.0898	3.8727	4.0888
H10	2.1525	3.0530	2.1782	1.0931	2.7685	3.9021	3.6708	2.3422	3.0050		1.7581	2.4343	3.0488	2.6382	3.8109
H11	2.2038	3.3531	2.2114	1.0910	3.3621	3.7742	4.2562	2.8184	2.3871	1.7581		2.6944	2.4627	3.7638	4.2678
H12	1.0915	3.3863	3.4079	2.2034	2.2071	3.8508	4.2570	4.1425	4.0733	2.4343	2.6944		1.7665	2.4832	2.6703
H13	1.0947	2.7111	2.8269	2.1687	2.1574	2.6964	3.7753	3.8549	3.0898	3.0488	2.4627	1.7665		3.0541	2.4885
H14	2.1546	2.1710	2.8694	2.7015	1.0944	3.0451	2.4427	3.2120	3.8727	2.6382	3.7638	2.4832	3.0541		1.7653
H15	2.2076	2.2035	3.4075	3.3800	1.0914	2.4200	2.7097	4.1298	4.0888	3.8109	4.2678	2.6703	2.4885	1.7653

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	C3	104.630	C1	C4	H10	109.000
C1	C4	H11	113.231	C1	C5	C2	102.692
C1	C5	H14	109.332	C1	C5	H15	113.783
C2	C3	C4	105.712	C2	C3	H8	111.601
C2	C3	H9	110.704	C2	C5	H14	110.217
C2	C5	H15	113.019	C3	C2	C5	105.034
C3	C2	H6	109.968	C3	C2	H7	112.691
C3	C4	H10	109.976	C3	C4	H11	112.758
C4	C1	C5	102.334	C4	C1	H12	113.168
C4	C1	H13	110.177	C4	C3	H8	111.085
C4	C3	H9	111.078	C5	C1	H12	113.732
C5	C1	H13	109.537	C5	C2	H6	109.196
C5	C2	H7	112.862	H6	C2	H7	107.073
H8	C3	H9	106.737	H10	C4	H11	107.209
H12	C1	H13	107.809	H14	C5	H15	107.723

All results from a given calculation for C₅H₁₀ (Cyclopentane)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₅H₁₀ (Cyclopentane)