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	hartrees
Energy at 0K	-196.340329
Energy at 298.15K	-196.351961
HF Energy	-196.095866
Nuclear repulsion energy	187.450573

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3148	2994	108.88
2	A	3133	2980	20.21
3	A	3132	2978	28.59
4	A	3126	2972	14.41
5	A	3118	2965	34.26
6	A	3095	2943	56.23
7	A	3079	2928	44.84
8	A	3077	2926	19.81
9	A	3070	2919	42.39
10	A	3066	2916	24.85
11	A	1549	1474	0.13
12	A	1523	1448	3.10
13	A	1522	1448	2.91
14	A	1516	1442	4.58
15	A	1509	1435	0.09
16	A	1370	1303	0.00
17	A	1369	1302	0.05
18	A	1361	1295	0.05
19	A	1341	1276	0.63
20	A	1320	1256	0.01
21	A	1295	1231	0.89
22	A	1252	1191	0.15
23	A	1243	1182	0.42
24	A	1220	1160	0.29
25	A	1196	1137	0.00
26	A	1069	1016	0.03
27	A	1055	1003	0.00
28	A	1014	964	0.60
29	A	981	933	1.22
30	A	922	877	2.10
31	A	916	871	2.24
32	A	896	852	0.58
33	A	882	839	0.60
34	A	835	794	0.14
35	A	780	741	0.65
36	A	620	590	0.09
37	A	555	527	0.76
38	A	270	256	0.01
39	A	26	25	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.835	-0.938	0.257
C2	-0.085	1.287	0.127
C3	-1.272	0.289	0.015
C4	-0.635	-1.115	-0.155
C5	1.167	0.473	-0.244
H6	0.006	1.646	1.156
H7	-0.217	2.166	-0.507
H8	-1.920	0.531	-0.831
H9	-1.897	0.331	0.909
H10	-0.680	-1.423	-1.204
H11	-1.150	-1.882	0.426
H12	1.489	-1.710	-0.154
H13	0.929	-0.973	1.348
H14	1.298	0.453	-1.331
H15	2.083	0.883	0.189

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		2.4104	2.4501	1.5368	1.5331	2.8584	3.3647	3.3055	3.0820	2.1604	2.2047	1.0926	1.0956	2.1609	2.2085
C2	2.4104		1.5541	2.4796	1.5391	1.0937	1.0921	2.2031	2.1926	3.0771	3.3563	3.3965	2.7610	2.1761	2.2063
C3	2.4501	1.5541		1.5513	2.4600	2.1856	2.2153	1.0921	1.0923	2.1837	2.2138	3.4131	2.8661	2.9057	3.4116
C4	1.5368	2.4796	1.5513		2.4035	3.1231	3.3261	2.1942	2.1950	1.0942	1.0921	2.2057	2.1739	2.7524	3.3908
C5	1.5331	1.5391	2.4600	2.4035		2.1644	2.2027	3.1428	3.2774	2.8163	3.3714	2.2081	2.1634	1.0954	1.0925
H6	2.8584	1.0937	2.1856	3.1231	2.1644		1.7563	2.9833	2.3265	3.9322	3.7841	3.8961	2.7833	3.0461	2.4147
H7	3.3647	1.0921	2.2153	3.3261	2.2027	1.7563		2.3830	2.8630	3.6856	4.2581	4.2493	3.8216	2.4309	2.7236
H8	3.3055	2.2031	1.0921	2.1942	3.1428	2.9833	2.3830		1.7521	2.3435	2.8278	4.1348	3.8887	3.2571	4.1453
H9	3.0820	2.1926	1.0923	2.1950	3.2774	2.3265	2.8630	1.7521		3.0042	2.3856	4.0943	3.1429	3.9044	4.0823
H10	2.1604	3.0771	2.1837	1.0942	2.8163	3.9322	3.6856	2.3435	3.0042		1.7579	2.4271	3.0507	2.7293	3.8595
H11	2.2047	3.3563	2.2138	1.0921	3.3714	3.7841	4.2581	2.8278	2.3856	1.7579		2.7076	2.4491	3.8123	4.2610
H12	1.0926	3.3965	3.4131	2.2057	2.2081	3.8961	4.2493	4.1348	4.0943	2.4271	2.7076		1.7648	2.4695	2.6823
H13	1.0956	2.7610	2.8661	2.1739	2.1634	2.7833	3.8216	3.8887	3.1429	3.0507	2.4491	1.7648		3.0572	2.4740
H14	2.1609	2.1761	2.9057	2.7524	1.0954	3.0461	2.4309	3.2571	3.9044	2.7293	3.8123	2.4695	3.0572		1.7639
H15	2.2085	2.2063	3.4116	3.3908	1.0925	2.4147	2.7236	4.1453	4.0823	3.8595	4.2610	2.6823	2.4740	1.7639

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	C3	105.007	C1	C4	H10	109.240
C1	C4	H11	112.900	C1	C5	C2	103.362
C1	C5	H14	109.465	C1	C5	H15	113.456
C2	C3	C4	105.967	C2	C3	H8	111.525
C2	C3	H9	110.684	C2	C5	H14	110.238
C2	C5	H15	112.836	C3	C2	C5	105.359
C3	C2	H6	110.050	C3	C2	H7	112.511
C3	C4	H10	110.061	C3	C4	H11	112.584
C4	C1	C5	103.057	C4	C1	H12	112.956
C4	C1	H13	110.214	C4	C3	H8	111.017
C4	C3	H9	111.064	C5	C1	H12	113.417
C5	C1	H13	109.646	C5	C2	H6	109.419
C5	C2	H7	112.574	H6	C2	H7	106.931
H8	C3	H9	106.658	H10	C4	H11	107.039
H12	C1	H13	107.515	H14	C5	H15	107.452

All results from a given calculation for C₅H₁₀ (Cyclopentane)

using model chemistry: B2PLYP=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: B2PLYP=FULL/6-31+G**

States and conformations

All results from a given calculation for C₅H₁₀ (Cyclopentane)