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	hartrees
Energy at 0K	-195.962812
Energy at 298.15K	-195.974440
HF Energy	-195.209381
Nuclear repulsion energy	187.711932

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3163	3005	85.51
2	A	3148	2991	15.61
3	A	3147	2990	20.59
4	A	3138	2982	10.64
5	A	3132	2976	22.23
6	A	3099	2945	41.30
7	A	3087	2933	30.01
8	A	3081	2928	27.50
9	A	3077	2924	28.49
10	A	3073	2920	24.08
11	A	1538	1462	0.19
12	A	1513	1438	4.15
13	A	1511	1436	3.11
14	A	1504	1429	5.17
15	A	1498	1423	0.12
16	A	1366	1298	0.04
17	A	1363	1295	0.04
18	A	1361	1293	0.05
19	A	1343	1276	0.81
20	A	1303	1238	0.42
21	A	1295	1231	0.54
22	A	1257	1194	0.19
23	A	1236	1174	0.23
24	A	1215	1155	0.23
25	A	1196	1136	0.00
26	A	1081	1027	0.04
27	A	1062	1010	0.00
28	A	1012	962	0.55
29	A	973	924	1.28
30	A	937	891	1.90
31	A	929	882	2.05
32	A	911	865	0.54
33	A	887	843	0.62
34	A	835	794	0.21
35	A	776	737	0.55
36	A	607	576	0.09
37	A	548	521	0.73
38	A	281	267	0.02
39	A	9	9	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	1.258	0.046	-0.236
C2	-0.961	-0.832	-0.190
C3	-1.102	0.689	0.046
C4	0.350	1.244	0.101
C5	0.462	-1.157	0.279
H6	-1.041	-1.053	-1.261
H7	-1.732	-1.412	0.325
H8	-1.620	0.883	0.991
H9	-1.690	1.164	-0.745
H10	0.576	1.602	1.111
H11	0.501	2.084	-0.582
H12	2.256	0.135	0.205
H13	1.377	-0.042	-1.323
H14	0.499	-1.182	1.375
H15	0.831	-2.117	-0.096

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		2.3874	2.4627	1.5402	1.5318	2.7469	3.3741	3.2382	3.1939	2.1676	2.2013	1.0941	1.0969	2.1635	2.2093
C2	2.3874		1.5465	2.4724	1.5334	1.0964	1.0939	2.1843	2.1963	3.1591	3.2858	3.3822	2.7157	2.1691	2.2069
C3	2.4627	1.5465		1.5551	2.4313	2.1793	2.2114	1.0943	1.0937	2.1868	2.2158	3.4070	2.9251	2.7986	3.4106
C4	1.5402	2.4724	1.5551		2.4098	3.0107	3.3817	2.1908	2.2098	1.0951	1.0937	2.2073	2.1760	2.7438	3.4004
C5	1.5318	1.5334	2.4313	2.4098		2.1544	2.2097	3.0004	3.3267	2.8837	3.3537	2.2116	2.1554	1.0975	1.0943
H6	2.7469	1.0964	2.1793	3.0107	2.1544		1.7679	3.0258	2.3670	3.9100	3.5608	3.7985	2.6217	3.0560	2.4481
H7	3.3741	1.0939	2.2114	3.3817	2.2097	1.7679		2.3919	2.7895	3.8761	4.2464	4.2790	3.7767	2.4764	2.6916
H8	3.2382	2.1843	1.0943	2.1908	3.0004	3.0258	2.3919		1.7596	2.3130	2.9005	4.0241	3.8972	2.9831	4.0230
H9	3.1939	2.1963	1.0937	2.2098	3.3267	2.3670	2.7895	1.7596		2.9615	2.3821	4.1869	3.3461	3.8456	4.1881
H10	2.1676	3.1591	2.1868	1.0951	2.8837	3.9100	3.8761	2.3130	2.9615		1.7621	2.4069	3.0440	2.7970	3.9177
H11	2.2013	3.2858	2.2158	1.0937	3.3537	3.5608	4.2464	2.9005	2.3821	1.7621		2.7381	2.4156	3.8076	4.2417
H12	1.0941	3.3822	3.4070	2.2073	2.2116	3.7985	4.2790	4.0241	4.1869	2.4069	2.7381		1.7712	2.4879	2.6816
H13	1.0969	2.7157	2.9251	2.1760	2.1554	2.6217	3.7767	3.8972	3.3461	3.0440	2.4156	1.7712		3.0579	2.4717
H14	2.1635	2.1691	2.7986	2.7438	1.0975	3.0560	2.4764	2.9831	3.8456	2.7970	3.8076	2.4879	3.0579		1.7745
H15	2.2093	2.2069	3.4106	3.4004	1.0943	2.4481	2.6916	4.0230	4.1881	3.9177	4.2417	2.6816	2.4717	1.7745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	C3	105.426	C1	C4	H10	109.521
C1	C4	H11	112.279	C1	C5	C2	102.316
C1	C5	H14	109.633	C1	C5	H15	113.509
C2	C3	C4	105.714	C2	C3	H8	110.438
C2	C3	H9	111.425	C2	C5	H14	109.965
C2	C5	H15	113.193	C3	C2	C5	104.259
C3	C2	H6	109.923	C3	C2	H7	112.630
C3	C4	H10	109.993	C3	C4	H11	112.384
C4	C1	C5	103.335	C4	C1	H12	112.735
C4	C1	H13	110.068	C4	C3	H8	110.348
C4	C3	H9	111.901	C5	C1	H12	113.707
C5	C1	H13	109.036	C5	C2	H6	108.884
C5	C2	H7	113.444	H6	C2	H7	107.636
H8	C3	H9	107.064	H10	C4	H11	107.239
H12	C1	H13	107.876	H14	C5	H15	108.115

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)