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	hartrees
Energy at 0K	-33.273403
Energy at 298.15K	-33.285228
HF Energy	-33.273403
Nuclear repulsion energy	105.323892

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3254	2940	221.11
2	A	3235	2923	35.77
3	A	3234	2921	55.35
4	A	3231	2919	23.96
5	A	3217	2906	68.58
6	A	3205	2895	92.10
7	A	3185	2878	71.72
8	A	3182	2875	15.38
9	A	3175	2869	49.25
10	A	3174	2867	33.14
11	A	1662	1502	0.03
12	A	1634	1476	1.05
13	A	1633	1476	1.32
14	A	1623	1466	3.25
15	A	1616	1460	0.05
16	A	1481	1338	0.65
17	A	1480	1337	0.79
18	A	1472	1330	0.04
19	A	1446	1307	0.32
20	A	1422	1285	0.00
21	A	1388	1254	0.74
22	A	1345	1215	0.56
23	A	1338	1209	0.31
24	A	1312	1185	0.85
25	A	1293	1168	0.02
26	A	1126	1018	0.01
27	A	1104	997	0.01
28	A	1073	969	0.34
29	A	1039	939	1.09
30	A	964	871	2.01
31	A	959	867	1.86
32	A	936	845	0.26
33	A	932	842	0.32
34	A	879	794	0.08
35	A	819	740	0.28
36	A	655	592	0.02
37	A	582	525	0.35
38	A	277	250	0.01
39	A	15	14	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.876	-0.906	0.257
C2	-0.138	1.285	0.125
C3	-1.286	0.238	0.014
C4	-0.591	-1.143	-0.153
C5	1.152	0.522	-0.243
H6	-0.065	1.652	1.147
H7	-0.304	2.152	-0.509
H8	-1.939	0.449	-0.828
H9	-1.910	0.256	0.904
H10	-0.628	-1.456	-1.195
H11	-1.070	-1.925	0.429
H12	1.557	-1.646	-0.157
H13	0.975	-0.942	1.342
H14	1.288	0.511	-1.324
H15	2.043	0.967	0.192

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		2.4186	2.4577	1.5414	1.5378	2.8676	3.3663	3.3076	3.0874	2.1617	2.2039	1.0873	1.0901	2.1623	2.2079
C2	2.4186		1.5576	2.4861	1.5436	1.0882	1.0867	2.2024	2.1916	3.0822	3.3570	3.3984	2.7715	2.1761	2.2059
C3	2.4577	1.5576		1.5550	2.4671	2.1848	2.2142	1.0867	1.0869	2.1828	2.2129	3.4143	2.8747	2.9135	3.4125
C4	1.5414	2.4861	1.5550		2.4118	3.1275	3.3270	2.1932	2.1947	1.0886	1.0868	2.2055	2.1741	2.7632	3.3927
C5	1.5378	1.5436	2.4671	2.4118		2.1656	2.2017	3.1467	3.2799	2.8261	3.3731	2.2076	2.1645	1.0899	1.0872
H6	2.8676	1.0882	2.1848	3.1275	2.1656		1.7464	2.9764	2.3259	3.9325	3.7844	3.9001	2.8017	3.0399	2.4142
H7	3.3663	1.0867	2.2142	3.3270	2.2017	1.7464		2.3824	2.8581	3.6873	4.2536	4.2445	3.8256	2.4276	2.7214
H8	3.3076	2.2024	1.0867	2.1932	3.1467	2.9764	2.3824		1.7424	2.3422	2.8239	4.1309	3.8904	3.2658	4.1436
H9	3.0874	2.1916	1.0869	2.1947	3.2799	2.3259	2.8581	1.7424		2.9970	2.3852	4.0942	3.1544	3.9056	4.0792
H10	2.1617	3.0822	2.1828	1.0886	2.8261	3.9325	3.6873	2.3422	2.9970		1.7481	2.4264	3.0446	2.7487	3.8641
H11	2.2039	3.3570	2.2129	1.0868	3.3731	3.7844	4.2536	2.8239	2.3852	1.7481		2.7060	2.4457	3.8170	4.2563
H12	1.0873	3.3984	3.4143	2.2055	2.2076	3.9001	4.2445	4.1309	4.0942	2.4264	2.7060		1.7550	2.4673	2.6811
H13	1.0901	2.7715	2.8747	2.1741	2.1645	2.8017	3.8256	3.8904	3.1544	3.0446	2.4457	1.7550		3.0520	2.4715
H14	2.1623	2.1761	2.9135	2.7632	1.0899	3.0399	2.4276	3.2658	3.9056	2.7487	3.8170	2.4673	3.0520		1.7540
H15	2.2079	2.2059	3.4125	3.3927	1.0872	2.4142	2.7214	4.1436	4.0792	3.8641	4.2563	2.6811	2.4715	1.7540

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	C3	105.067	C1	C4	H10	109.352
C1	C4	H11	112.832	C1	C5	C2	103.426
C1	C5	H14	109.571	C1	C5	H15	113.401
C2	C3	C4	106.019	C2	C3	H8	111.547
C2	C3	H9	110.680	C2	C5	H14	110.258
C2	C5	H15	112.816	C3	C2	C5	105.415
C3	C2	H6	110.065	C3	C2	H7	112.503
C3	C4	H10	110.066	C3	C4	H11	112.578
C4	C1	C5	103.119	C4	C1	H12	112.935
C4	C1	H13	110.234	C4	C3	H8	110.998
C4	C3	H9	111.110	C5	C1	H12	113.375
C5	C1	H13	109.737	C5	C2	H6	109.534
C5	C2	H7	112.500	H6	C2	H7	106.836
H8	C3	H9	106.564	H10	C4	H11	106.946
H12	C1	H13	107.417	H14	C5	H15	107.349

All results from a given calculation for C₅H₁₀ (Cyclopentane)

using model chemistry: HF/CEP-121G*

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	-0.289
2	C	-0.334
3	C	-0.333
4	C	-0.327
5	C	-0.294
6	H	0.148
7	H	0.173
8	H	0.159
9	H	0.156
10	H	0.145
11	H	0.175
12	H	0.171
13	H	0.138
14	H	0.139
15	H	0.173

	x	y	z	Total
	0.008	-0.003	-0.000	0.008
CHELPG
AIM
ESP

	x	y	z
x	8.064	-0.001	0.000
y	-0.001	8.058	0.020
z	0.000	0.020	7.307

<r²>	99.353
(<r²>)^1/2	9.968

All results from a given calculation for C5H10 (Cyclopentane)

using model chemistry: HF/CEP-121G*

States and conformations

All results from a given calculation for C₅H₁₀ (Cyclopentane)