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	hartrees
Energy at 0K	-195.929587
Energy at 298.15K	-195.941249
HF Energy	-195.179986
Nuclear repulsion energy	188.231653

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3205	3010	88.36
2	A	3191	2997	15.63
3	A	3190	2996	22.30
4	A	3181	2988	12.29
5	A	3176	2983	23.63
6	A	3141	2950	45.09
7	A	3126	2936	49.16
8	A	3124	2934	15.44
9	A	3118	2928	37.29
10	A	3115	2926	25.23
11	A	1566	1471	0.15
12	A	1539	1445	3.10
13	A	1538	1445	3.41
14	A	1531	1438	4.86
15	A	1524	1431	0.06
16	A	1386	1302	0.05
17	A	1384	1299	0.07
18	A	1377	1293	0.04
19	A	1357	1274	0.68
20	A	1326	1245	0.01
21	A	1303	1224	0.96
22	A	1263	1186	0.14
23	A	1254	1178	0.40
24	A	1228	1153	0.29
25	A	1209	1136	0.00
26	A	1091	1025	0.05
27	A	1073	1008	0.00
28	A	1023	960	0.67
29	A	987	927	1.48
30	A	943	886	2.13
31	A	936	879	2.22
32	A	917	862	0.65
33	A	897	843	0.58
34	A	847	796	0.21
35	A	789	741	0.56
36	A	620	582	0.08
37	A	557	523	0.55
38	A	282	265	0.01
39	A	11	10	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.790	-0.964	0.265
C2	-0.030	1.282	0.130
C3	-1.253	0.340	0.015
C4	-0.675	-1.082	-0.159
C5	1.178	0.420	-0.252
H6	0.084	1.624	1.160
H7	-0.127	2.171	-0.493
H8	-1.887	0.611	-0.829
H9	-1.874	0.403	0.908
H10	-0.719	-1.379	-1.209
H11	-1.226	-1.830	0.410
H12	1.414	-1.767	-0.128
H13	0.872	-0.984	1.355
H14	1.290	0.382	-1.338
H15	2.114	0.795	0.164

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		2.3951	2.4372	1.5308	1.5271	2.8281	3.3529	3.2940	3.0628	2.1505	2.1999	1.0901	1.0931	2.1524	2.2034
C2	2.3951		1.5482	2.4682	1.5330	1.0913	1.0896	2.1954	2.1863	3.0582	3.3463	3.3835	2.7290	2.1697	2.1988
C3	2.4372	1.5482		1.5454	2.4475	2.1793	2.2082	1.0897	1.0899	2.1772	2.2065	3.4019	2.8398	2.8806	3.4009
C4	1.5308	2.4682	1.5454		2.3879	3.1056	3.3157	2.1879	2.1868	1.0917	1.0897	2.1987	2.1673	2.7197	3.3777
C5	1.5271	1.5330	2.4475	2.3879		2.1545	2.1973	3.1256	3.2656	2.7844	3.3592	2.2026	2.1553	1.0929	1.0900
H6	2.8281	1.0913	2.1793	3.1056	2.1545		1.7540	2.9780	2.3218	3.9090	3.7702	3.8637	2.7312	3.0394	2.4086
H7	3.3529	1.0896	2.2082	3.3157	2.1973	1.7540		2.3752	2.8533	3.6694	4.2464	4.2439	3.7898	2.4329	2.7103
H8	3.2940	2.1954	1.0897	2.1879	3.1256	2.9780	2.3752		1.7495	2.3397	2.8170	4.1286	3.8635	3.2258	4.1266
H9	3.0628	2.1863	1.0899	2.1868	3.2656	2.3218	2.8533	1.7495		2.9988	2.3778	4.0733	3.1082	3.8802	4.0759
H10	2.1505	3.0582	2.1772	1.0917	2.7844	3.9090	3.6694	2.3397	2.9988		1.7558	2.4220	3.0433	2.6748	3.8257
H11	2.1999	3.3463	2.2065	1.0897	3.3592	3.7702	4.2464	2.8170	2.3778	1.7558		2.6953	2.4518	3.7794	4.2556
H12	1.0901	3.3835	3.4019	2.1987	2.2026	3.8637	4.2439	4.1286	4.0733	2.4220	2.6953		1.7630	2.4695	2.6717
H13	1.0931	2.7290	2.8398	2.1673	2.1553	2.7312	3.7898	3.8635	3.1082	3.0433	2.4518	1.7630		3.0488	2.4752
H14	2.1524	2.1697	2.8806	2.7197	1.0929	3.0394	2.4329	3.2258	3.8802	2.6748	3.7794	2.4695	3.0488		1.7620
H15	2.2034	2.1988	3.4009	3.3777	1.0900	2.4086	2.7103	4.1266	4.0759	3.8257	4.2556	2.6717	2.4752	1.7620

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	C3	104.800	C1	C4	H10	109.023
C1	C4	H11	113.097	C1	C5	C2	103.012
C1	C5	H14	109.358	C1	C5	H15	113.636
C2	C3	C4	105.853	C2	C3	H8	111.477
C2	C3	H9	110.741	C2	C5	H14	110.310
C2	C5	H15	112.826	C3	C2	C5	105.182
C3	C2	H6	110.106	C3	C2	H7	112.515
C3	C4	H10	110.113	C3	C4	H11	112.579
C4	C1	C5	102.682	C4	C1	H12	112.972
C4	C1	H13	110.262	C4	C3	H8	111.078
C4	C3	H9	110.983	C5	C1	H12	113.570
C5	C1	H13	109.576	C5	C2	H6	109.213
C5	C2	H7	112.733	H6	C2	H7	107.085
H8	C3	H9	106.780	H10	C4	H11	107.206
H12	C1	H13	107.720	H14	C5	H15	107.646

All results from a given calculation for C₅H₁₀ (Cyclopentane)

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

States and conformations

All results from a given calculation for C₅H₁₀ (Cyclopentane)