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	hartrees
Energy at 0K	-196.268621
Energy at 298.15K	-196.280039
HF Energy	-196.268621
Nuclear repulsion energy	186.487792

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3054	3004	93.62
2	A	3040	2990	18.28
3	A	3038	2988	27.07
4	A	3034	2984	14.54
5	A	3025	2975	31.47
6	A	3002	2952	48.20
7	A	2987	2937	28.17
8	A	2984	2935	23.00
9	A	2977	2928	36.71
10	A	2972	2923	19.68
11	A	1502	1477	0.07
12	A	1475	1451	3.48
13	A	1475	1450	1.97
14	A	1469	1445	3.72
15	A	1464	1440	0.20
16	A	1320	1298	0.42
17	A	1318	1296	0.44
18	A	1315	1293	0.06
19	A	1297	1276	0.61
20	A	1268	1247	0.00
21	A	1256	1236	0.98
22	A	1212	1192	0.24
23	A	1200	1180	0.50
24	A	1177	1158	0.27
25	A	1153	1134	0.01
26	A	1042	1024	0.03
27	A	1026	1009	0.00
28	A	982	966	0.56
29	A	949	933	1.35
30	A	904	889	1.61
31	A	894	880	1.65
32	A	879	865	0.63
33	A	855	840	0.76
34	A	807	793	0.30
35	A	754	741	1.24
36	A	599	589	0.24
37	A	533	525	1.65
38	A	263	259	0.00
39	A	2	2	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.935	-0.844	0.260
C2	-0.225	1.274	0.128
C3	-1.300	0.150	0.015
C4	-0.511	-1.181	-0.156
C5	1.113	0.598	-0.246
H6	-0.173	1.643	1.168
H7	-0.452	2.146	-0.508
H8	-1.980	0.320	-0.838
H9	-1.934	0.125	0.918
H10	-0.522	-1.492	-1.217
H11	-0.944	-2.013	0.425
H12	1.679	-1.549	-0.149
H13	1.029	-0.866	1.362
H14	1.242	0.590	-1.345
H15	1.990	1.111	0.184

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		2.4175	2.4582	1.5419	1.5381	2.8698	3.3838	3.3244	3.0987	2.1733	2.2188	1.1038	1.1071	2.1738	2.2230
C2	2.4175		1.5596	2.4873	1.5441	1.1051	1.1032	2.2184	2.2059	3.0900	3.3770	3.4158	2.7703	2.1882	2.2216
C3	2.4582	1.5596		1.5566	2.4681	2.1981	2.2313	1.1034	1.1036	2.1957	2.2298	3.4337	2.8769	2.9169	3.4324
C4	1.5419	2.4873	1.5566		2.4103	3.1375	3.3461	2.2075	2.2098	1.1056	1.1033	2.2210	2.1862	2.7612	3.4098
C5	1.5381	1.5441	2.4681	2.4103		2.1776	2.2163	3.1606	3.2956	2.8259	3.3905	2.2227	2.1763	1.1069	1.1038
H6	2.8698	1.1051	2.1981	3.1375	2.1776		1.7718	3.0067	2.3392	3.9551	3.8094	3.9182	2.7890	3.0701	2.4348
H7	3.3838	1.1032	2.2313	3.3461	2.2163	1.7718		2.4038	2.8839	3.7078	4.2905	4.2806	3.8425	2.4477	2.7409
H8	3.3244	2.2184	1.1034	2.2075	3.1606	3.0067	2.4038		1.7673	2.3566	2.8477	4.1658	3.9118	3.2726	4.1749
H9	3.0987	2.2059	1.1036	2.2098	3.2956	2.3392	2.8839	1.7673		3.0278	2.4065	4.1225	3.1563	3.9278	4.1125
H10	2.1733	3.0900	2.1957	1.1056	2.8259	3.9551	3.7078	2.3566	3.0278		1.7737	2.4472	3.0746	2.7325	3.8799
H11	2.2188	3.3770	2.2298	1.1033	3.3905	3.8094	4.2905	2.8477	2.4065	1.7737		2.7249	2.4673	3.8325	4.2926
H12	1.1038	3.4158	3.4337	2.2210	2.2227	3.9182	4.2806	4.1658	4.1225	2.4472	2.7249		1.7812	2.4896	2.6991
H13	1.1071	2.7703	2.8769	2.1862	2.1763	2.7890	3.8425	3.9118	3.1563	3.0746	2.4673	1.7812		3.0815	2.4942
H14	2.1738	2.1882	2.9169	2.7612	1.1069	3.0701	2.4477	3.2726	3.9278	2.7325	3.8325	2.4896	3.0815		1.7802
H15	2.2230	2.2216	3.4324	3.4098	1.1038	2.4348	2.7409	4.1749	4.1125	3.8799	4.2926	2.6991	2.4942	1.7802

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	C3	105.002	C1	C4	H10	109.239
C1	C4	H11	112.982	C1	C5	C2	103.319
C1	C5	H14	109.458	C1	C5	H15	113.569
C2	C3	C4	105.915	C2	C3	H8	111.683
C2	C3	H9	110.687	C2	C5	H14	110.170
C2	C5	H15	113.025	C3	C2	C5	105.350
C3	C2	H6	109.988	C3	C2	H7	112.726
C3	C4	H10	109.972	C3	C4	H11	112.809
C4	C1	C5	102.992	C4	C1	H12	113.133
C4	C1	H13	110.157	C4	C3	H8	111.030
C4	C3	H9	111.199	C5	C1	H12	113.542
C5	C1	H13	109.644	C5	C2	H6	109.453
C5	C2	H7	112.626	H6	C2	H7	106.705
H8	C3	H9	106.411	H10	C4	H11	106.826
H12	C1	H13	107.340	H14	C5	H15	107.269

All results from a given calculation for C₅H₁₀ (Cyclopentane)

using model chemistry: PBEPBEultrafine/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	-0.294
2	C	-0.296
3	C	-0.296
4	C	-0.296
5	C	-0.294
6	H	0.149
7	H	0.147
8	H	0.149
9	H	0.150
10	H	0.149
11	H	0.147
12	H	0.146
13	H	0.146
14	H	0.147
15	H	0.146

	x	y	z	Total
	-0.006	0.002	0.001	0.006
CHELPG
AIM
ESP

	x	y	z
x	7.904	0.003	-0.000
y	0.003	7.910	0.005
z	-0.000	0.005	7.161

<r²>	116.380
(<r²>)^1/2	10.788

All results from a given calculation for C5H10 (Cyclopentane)

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

All results from a given calculation for C₅H₁₀ (Cyclopentane)