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	hartrees
Energy at 0K	-195.888991
Energy at 298.15K	-195.900638
HF Energy	-195.195882
Nuclear repulsion energy	187.721731

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3162	3005	90.95
2	A	3147	2991	14.77
3	A	3146	2990	20.79
4	A	3136	2980	10.37
5	A	3131	2975	22.21
6	A	3100	2946	42.09
7	A	3087	2933	46.85
8	A	3084	2931	11.96
9	A	3078	2925	33.28
10	A	3076	2923	24.83
11	A	1563	1485	0.29
12	A	1537	1461	7.51
13	A	1535	1459	4.80
14	A	1528	1452	6.47
15	A	1524	1448	0.50
16	A	1373	1305	0.79
17	A	1370	1302	0.49
18	A	1370	1302	0.04
19	A	1354	1286	1.36
20	A	1311	1246	0.51
21	A	1309	1244	0.80
22	A	1265	1203	0.10
23	A	1249	1187	0.54
24	A	1229	1167	0.32
25	A	1206	1146	0.00
26	A	1087	1033	0.05
27	A	1069	1016	0.00
28	A	1022	972	0.81
29	A	985	936	1.90
30	A	940	894	2.86
31	A	933	887	2.84
32	A	914	868	0.67
33	A	888	844	0.95
34	A	841	799	0.37
35	A	782	744	1.05
36	A	615	584	0.12
37	A	555	528	1.16
38	A	279	266	0.02
39	A	13	12	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.773	-0.983	0.263
C2	-0.004	1.286	0.130
C3	-1.249	0.367	0.015
C4	-0.700	-1.071	-0.158
C5	1.191	0.397	-0.249
H6	0.113	1.635	1.161
H7	-0.083	2.175	-0.504
H8	-1.879	0.651	-0.833
H9	-1.871	0.443	0.911
H10	-0.758	-1.374	-1.210
H11	-1.265	-1.807	0.422
H12	1.380	-1.798	-0.144
H13	0.859	-1.015	1.356
H14	1.311	0.364	-1.339
H15	2.133	0.752	0.179

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		2.4029	2.4442	1.5346	1.5307	2.8460	3.3606	3.3026	3.0739	2.1598	2.2035	1.0944	1.0969	2.1609	2.2069
C2	2.4029		1.5519	2.4749	1.5369	1.0951	1.0938	2.2011	2.1924	3.0721	3.3529	3.3921	2.7470	2.1764	2.2039
C3	2.4442	1.5519		1.5491	2.4543	2.1862	2.2131	1.0937	1.0938	2.1841	2.2116	3.4097	2.8554	2.8960	3.4084
C4	1.5346	2.4749	1.5491		2.3958	3.1189	3.3222	2.1937	2.1933	1.0955	1.0939	2.2034	2.1742	2.7381	3.3863
C5	1.5307	1.5369	2.4543	2.3958		2.1637	2.2013	3.1353	3.2748	2.8030	3.3671	2.2063	2.1635	1.0967	1.0944
H6	2.8460	1.0951	2.1862	3.1189	2.1637		1.7606	2.9856	2.3284	3.9286	3.7808	3.8854	2.7603	3.0494	2.4133
H7	3.3606	1.0938	2.2131	3.3222	2.2013	1.7606		2.3786	2.8632	3.6806	4.2552	4.2490	3.8105	2.4329	2.7202
H8	3.3026	2.2011	1.0937	2.1937	3.1353	2.9856	2.3786		1.7563	2.3451	2.8274	4.1349	3.8814	3.2430	4.1394
H9	3.0739	2.1924	1.0938	2.1933	3.2748	2.3284	2.8632	1.7563		3.0067	2.3816	4.0877	3.1273	3.8982	4.0826
H10	2.1598	3.0721	2.1841	1.0955	2.8030	3.9286	3.6806	2.3451	3.0067		1.7624	2.4264	3.0538	2.7051	3.8481
H11	2.2035	3.3529	2.2116	1.0939	3.3671	3.7808	4.2552	2.8274	2.3816	1.7624		2.7043	2.4515	3.8008	4.2608
H12	1.0944	3.3921	3.4097	2.2034	2.2063	3.8854	4.2490	4.1349	4.0877	2.4264	2.7043		1.7702	2.4715	2.6792
H13	1.0969	2.7470	2.8554	2.1742	2.1635	2.7603	3.8105	3.8814	3.1273	3.0538	2.4515	1.7702		3.0604	2.4765
H14	2.1609	2.1764	2.8960	2.7381	1.0967	3.0494	2.4329	3.2430	3.8982	2.7051	3.8008	2.4715	3.0604		1.7690
H15	2.2069	2.2039	3.4084	3.3863	1.0944	2.4133	2.7202	4.1394	4.0826	3.8481	4.2608	2.6792	2.4765	1.7690

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	C3	104.862	C1	C4	H10	109.274
C1	C4	H11	112.850	C1	C5	C2	103.133
C1	C5	H14	109.560	C1	C5	H15	113.388
C2	C3	C4	105.897	C2	C3	H8	111.435
C2	C3	H9	110.732	C2	C5	H14	110.350
C2	C5	H15	112.687	C3	C2	C5	105.236
C3	C2	H6	110.165	C3	C2	H7	112.395
C3	C4	H10	110.171	C3	C4	H11	112.461
C4	C1	C5	102.812	C4	C1	H12	112.813
C4	C1	H13	110.318	C4	C3	H8	111.036
C4	C3	H9	110.994	C5	C1	H12	113.336
C5	C1	H13	109.749	C5	C2	H6	109.441
C5	C2	H7	112.515	H6	C2	H7	107.096
H8	C3	H9	106.816	H10	C4	H11	107.215
H12	C1	H13	107.767	H14	C5	H15	107.683

All results from a given calculation for C₅H₁₀ (Cyclopentane)

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

All results from a given calculation for C₅H₁₀ (Cyclopentane)