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	hartrees
Energy at 0K	-195.903334
Energy at 298.15K	-195.914989
HF Energy	-195.179947
Nuclear repulsion energy	188.007427

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3202	3011	89.88
2	A	3187	2998	16.01
3	A	3186	2997	22.50
4	A	3178	2989	12.24
5	A	3172	2983	24.01
6	A	3138	2952	45.76
7	A	3124	2938	48.79
8	A	3121	2936	15.67
9	A	3115	2930	37.57
10	A	3112	2927	25.17
11	A	1564	1471	0.15
12	A	1537	1446	2.87
13	A	1536	1445	3.23
14	A	1529	1439	4.73
15	A	1522	1432	0.06
16	A	1384	1301	0.03
17	A	1381	1299	0.05
18	A	1375	1293	0.05
19	A	1354	1274	0.66
20	A	1323	1245	0.02
21	A	1300	1223	0.95
22	A	1261	1186	0.13
23	A	1252	1177	0.42
24	A	1226	1153	0.29
25	A	1207	1135	0.00
26	A	1089	1025	0.05
27	A	1072	1008	0.00
28	A	1020	960	0.66
29	A	985	926	1.46
30	A	941	885	2.08
31	A	934	879	2.17
32	A	916	862	0.64
33	A	896	843	0.56
34	A	846	796	0.20
35	A	788	741	0.54
36	A	618	582	0.08
37	A	557	524	0.53
38	A	280	263	0.01
39	A	11	10	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.721	-1.019	0.265
C2	0.061	1.283	0.130
C3	-1.227	0.429	0.015
C4	-0.752	-1.033	-0.159
C5	1.207	0.336	-0.251
H6	0.198	1.618	1.161
H7	0.027	2.176	-0.495
H8	-1.842	0.744	-0.830
H9	-1.843	0.535	0.909
H10	-0.818	-1.328	-1.209
H11	-1.354	-1.740	0.413
H12	1.286	-1.864	-0.132
H13	0.802	-1.047	1.355
H14	1.318	0.292	-1.338
H15	2.167	0.644	0.167

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		2.3986	2.4403	1.5326	1.5289	2.8341	3.3566	3.2975	3.0672	2.1533	2.2020	1.0912	1.0942	2.1551	2.2055
C2	2.3986		1.5498	2.4713	1.5348	1.0924	1.0907	2.1977	2.1886	3.0630	3.3496	3.3874	2.7350	2.1721	2.2010
C3	2.4403	1.5498		1.5470	2.4505	2.1817	2.2103	1.0908	1.0910	2.1796	2.2086	3.4053	2.8451	2.8858	3.4041
C4	1.5326	2.4713	1.5470		2.3915	3.1102	3.3191	2.1901	2.1892	1.0928	1.0908	2.2008	2.1698	2.7259	3.3816
C5	1.5289	1.5348	2.4505	2.3915		2.1573	2.1995	3.1297	3.2692	2.7907	3.3630	2.2048	2.1579	1.0940	1.0911
H6	2.8341	1.0924	2.1817	3.1102	2.1573		1.7557	2.9808	2.3243	3.9151	3.7745	3.8707	2.7400	3.0425	2.4105
H7	3.3566	1.0907	2.2103	3.3191	2.1995	1.7557		2.3773	2.8564	3.6741	4.2504	4.2473	3.7966	2.4343	2.7138
H8	3.2975	2.1977	1.0908	2.1901	3.1297	2.9808	2.3773		1.7512	2.3419	2.8201	4.1318	3.8695	3.2319	4.1314
H9	3.0672	2.1886	1.0910	2.1892	3.2692	2.3243	2.8564	1.7512		3.0016	2.3798	4.0785	3.1148	3.8861	4.0792
H10	2.1533	3.0630	2.1796	1.0928	2.7907	3.9151	3.6741	2.3419	3.0016		1.7574	2.4239	3.0465	2.6840	3.8329
H11	2.2020	3.3496	2.2086	1.0908	3.3630	3.7745	4.2504	2.8201	2.3798	1.7574		2.6987	2.4532	3.7864	4.2591
H12	1.0912	3.3874	3.4053	2.2008	2.2048	3.8707	4.2473	4.1318	4.0785	2.4239	2.6987		1.7647	2.4709	2.6751
H13	1.0942	2.7350	2.8451	2.1698	2.1579	2.7400	3.7966	3.8695	3.1148	3.0465	2.4532	1.7647		3.0521	2.4765
H14	2.1551	2.1721	2.8858	2.7259	1.0940	3.0425	2.4343	3.2319	3.8861	2.6840	3.7864	2.4709	3.0521		1.7637
H15	2.2055	2.2010	3.4041	3.3816	1.0911	2.4105	2.7138	4.1314	4.0792	3.8329	4.2591	2.6751	2.4765	1.7637

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	C3	104.820	C1	C4	H10	109.055
C1	C4	H11	113.073	C1	C5	C2	103.055
C1	C5	H14	109.376	C1	C5	H15	113.610
C2	C3	C4	105.879	C2	C3	H8	111.475
C2	C3	H9	110.738	C2	C5	H14	110.313
C2	C5	H15	112.804	C3	C2	C5	105.200
C3	C2	H6	110.117	C3	C2	H7	112.499
C3	C4	H10	110.123	C3	C4	H11	112.561
C4	C1	C5	102.730	C4	C1	H12	112.949
C4	C1	H13	110.266	C4	C3	H8	111.070
C4	C3	H9	110.987	C5	C1	H12	113.544
C5	C1	H13	109.589	C5	C2	H6	109.243
C5	C2	H7	112.711	H6	C2	H7	107.066
H8	C3	H9	106.762	H10	C4	H11	107.189
H12	C1	H13	107.707	H14	C5	H15	107.633

All results from a given calculation for C₅H₁₀ (Cyclopentane)

using model chemistry: MP2/6-31+G**

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: MP2/6-31+G**

States and conformations

All results from a given calculation for C₅H₁₀ (Cyclopentane)