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	hartrees
Energy at 0K	-196.490552
Energy at 298.15K
HF Energy	-196.490552
Nuclear repulsion energy	187.420208

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3128	2993	101.17
2	A	3114	2979	19.27
3	A	3112	2978	28.07
4	A	3108	2973	13.88
5	A	3099	2965	33.10
6	A	3075	2942	50.54
7	A	3061	2928	32.29
8	A	3057	2925	21.73
9	A	3051	2919	37.21
10	A	3047	2915	22.41
11	A	1549	1482	0.06
12	A	1521	1455	2.87
13	A	1520	1454	2.71
14	A	1515	1449	4.47
15	A	1508	1443	0.10
16	A	1368	1308	0.10
17	A	1365	1306	0.13
18	A	1360	1301	0.07
19	A	1340	1282	0.68
20	A	1314	1257	0.00
21	A	1295	1239	1.02
22	A	1251	1197	0.29
23	A	1244	1190	0.46
24	A	1217	1165	0.35
25	A	1197	1145	0.01
26	A	1073	1026	0.03
27	A	1056	1010	0.00
28	A	1013	969	0.63
29	A	979	936	1.41
30	A	927	887	1.86
31	A	920	880	1.77
32	A	902	863	0.46
33	A	879	841	0.74
34	A	830	794	0.32
35	A	775	742	1.24
36	A	618	592	0.21
37	A	549	526	1.51
38	A	266	255	0.00
39	A	19i	18i	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	1.022	-0.729	0.255
C2	-0.369	1.234	0.127
C3	-1.303	-0.000	0.014
C4	-0.372	-1.227	-0.154
C5	1.032	0.720	-0.242
H6	-0.363	1.608	1.158
H7	-0.691	2.065	-0.510
H8	-1.991	0.091	-0.834
H9	-1.926	-0.097	0.911
H10	-0.351	-1.540	-1.206
H11	-0.703	-2.092	0.430
H12	1.833	-1.338	-0.160
H13	1.125	-0.746	1.349
H14	1.167	0.733	-1.332
H15	1.837	1.324	0.193

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		2.4089	2.4486	1.5355	1.5315	2.8627	3.3658	3.3066	3.0853	2.1626	2.2060	1.0960	1.0993	2.1628	2.2096
C2	2.4089		1.5520	2.4765	1.5371	1.0971	1.0958	2.2046	2.1934	3.0777	3.3569	3.3978	2.7651	2.1767	2.2084
C3	2.4486	1.5520		1.5492	2.4573	2.1862	2.2172	1.0955	1.0961	2.1836	2.2160	3.4144	2.8692	2.9076	3.4125
C4	1.5355	2.4765	1.5492		2.4017	3.1238	3.3267	2.1951	2.1967	1.0979	1.0956	2.2080	2.1747	2.7565	3.3919
C5	1.5315	1.5371	2.4573	2.4017		2.1665	2.2030	3.1441	3.2781	2.8198	3.3723	2.2096	2.1654	1.0990	1.0962
H6	2.8627	1.0971	2.1862	3.1238	2.1665		1.7603	2.9866	2.3263	3.9371	3.7871	3.9036	2.7915	3.0507	2.4183
H7	3.3658	1.0958	2.2172	3.3267	2.2030	1.7603		2.3861	2.8670	3.6880	4.2628	4.2518	3.8288	2.4300	2.7268
H8	3.3066	2.2046	1.0955	2.1951	3.1441	2.9866	2.3861		1.7562	2.3427	2.8321	4.1375	3.8950	3.2611	4.1506
H9	3.0853	2.1934	1.0961	2.1967	3.2781	2.3263	2.8670	1.7562		3.0077	2.3893	4.1010	3.1492	3.9101	4.0854
H10	2.1626	3.0777	2.1836	1.0979	2.8198	3.9371	3.6880	2.3427	3.0077		1.7621	2.4302	3.0554	2.7366	3.8664
H11	2.2060	3.3569	2.2160	1.0956	3.3723	3.7871	4.2628	2.8321	2.3893	1.7621		2.7114	2.4490	3.8195	4.2639
H12	1.0960	3.3978	3.4144	2.2080	2.2096	3.9036	4.2518	4.1375	4.1010	2.4302	2.7114		1.7691	2.4713	2.6852
H13	1.0993	2.7651	2.8692	2.1747	2.1654	2.7915	3.8288	3.8950	3.1492	3.0554	2.4490	1.7691		3.0629	2.4758
H14	2.1628	2.1767	2.9076	2.7565	1.0990	3.0507	2.4300	3.2611	3.9101	2.7366	3.8195	2.4713	3.0629		1.7680
H15	2.2096	2.2084	3.4125	3.3919	1.0962	2.4183	2.7268	4.1506	4.0854	3.8664	4.2639	2.6852	2.4758	1.7680

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	C3	105.078	C1	C4	H10	109.287
C1	C4	H11	112.886	C1	C5	C2	103.448
C1	C5	H14	109.512	C1	C5	H15	113.428
C2	C3	C4	105.985	C2	C3	H8	111.595
C2	C3	H9	110.667	C2	C5	H14	110.217
C2	C5	H15	112.924	C3	C2	C5	105.401
C3	C2	H6	110.041	C3	C2	H7	112.589
C3	C4	H10	109.980	C3	C4	H11	112.704
C4	C1	C5	103.089	C4	C1	H12	113.028
C4	C1	H13	110.153	C4	C3	H8	111.036
C4	C3	H9	111.124	C5	C1	H12	113.448
C5	C1	H13	109.704	C5	C2	H6	109.528
C5	C2	H7	112.513	H6	C2	H7	106.781
H8	C3	H9	106.513	H10	C4	H11	106.897
H12	C1	H13	107.389	H14	C5	H15	107.290

All results from a given calculation for C₅H₁₀ (Cyclopentane)

using model chemistry: B3PW91/6-31G*

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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Number	Element	Mulliken
1	C	-0.319
2	C	-0.322
3	C	-0.322
4	C	-0.322
5	C	-0.319
6	H	0.161
7	H	0.161
8	H	0.162
9	H	0.162
10	H	0.160
11	H	0.161
12	H	0.160
13	H	0.158
14	H	0.158
15	H	0.160

	x	y	z	Total
	-0.006	0.001	0.000	0.006
CHELPG
AIM
ESP

	x	y	z
x	7.698	0.001	-0.002
y	0.001	7.701	0.008
z	-0.002	0.008	7.027

<r²>	115.368
(<r²>)^1/2	10.741

All results from a given calculation for C5H10 (Cyclopentane)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for C₅H₁₀ (Cyclopentane)